USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= 1.53 K(o=4.2,f=2.5) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.97 K(o=4.2,f=2.5) USER MOD Set 1.3: A 62 SER OG : rot 93:sc= 0.664 USER MOD Set 2.1: A 13 TYR OH : rot 162:sc= 0.345 USER MOD Set 2.2: A 34 THR OG1 : rot 72:sc= 1.71 USER MOD Single : A 1 LYS N :NH3+ -145:sc= 0.0878 (180deg=-0.534) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.03 USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= 0.21 (180deg=-0.151) USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= 0.588 (180deg=-0.0424) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0405) USER MOD Single : A 24 SER OG : rot -154:sc= 1.88 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 0.963 (180deg=0.561) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc=-0.00145 (180deg=-0.0544) USER MOD Single : A 33 GLN : amide:sc=-0.00357 X(o=-0.0036,f=-0.026) USER MOD Single : A 38 SER OG : rot -28:sc= 0.603 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.36 (180deg=1.36) USER MOD Single : A 44 SER OG : rot 21:sc= 0.875 USER MOD Single : A 45 THR OG1 : rot 127:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.15 K(o=1.2,f=-0.25) USER MOD Single : A 67 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0537) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0305 (180deg=-0.211) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.358 X(o=0.36,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.688 -4.337 -4.153 1.00 0.00 N ATOM 2 CA LYS A 1 -15.930 -3.292 -3.490 1.00 0.00 C ATOM 3 C LYS A 1 -15.723 -2.156 -4.498 1.00 0.00 C ATOM 4 O LYS A 1 -16.349 -2.157 -5.556 1.00 0.00 O ATOM 5 CB LYS A 1 -14.603 -3.859 -2.953 1.00 0.00 C ATOM 6 CG LYS A 1 -14.747 -5.201 -2.212 1.00 0.00 C ATOM 7 CD LYS A 1 -15.776 -5.208 -1.071 1.00 0.00 C ATOM 8 CE LYS A 1 -15.418 -4.228 0.052 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.372 -4.323 1.171 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.329 -4.788 -3.469 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.244 -3.924 -4.928 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.035 -5.049 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.466 -2.900 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.912 -3.988 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.155 -3.130 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.023 -5.969 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.775 -5.480 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.758 -4.954 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.850 -6.215 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.410 -4.437 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.413 -3.210 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.103 -3.648 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.329 -4.100 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.358 -5.288 1.558 1.00 0.00 H new ATOM 25 N SER A 2 -14.857 -1.189 -4.194 1.00 0.00 N ATOM 26 CA SER A 2 -14.567 -0.060 -5.068 1.00 0.00 C ATOM 27 C SER A 2 -13.221 0.532 -4.638 1.00 0.00 C ATOM 28 O SER A 2 -12.828 0.335 -3.484 1.00 0.00 O ATOM 29 CB SER A 2 -15.711 0.963 -4.977 1.00 0.00 C ATOM 30 OG SER A 2 -15.981 1.286 -3.629 1.00 0.00 O ATOM 0 H SER A 2 -14.331 -1.171 -3.320 1.00 0.00 H new ATOM 0 HA SER A 2 -14.495 -0.367 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.444 1.866 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.607 0.557 -5.446 1.00 0.00 H new ATOM 0 HG SER A 2 -16.710 1.939 -3.589 1.00 0.00 H new ATOM 36 N PRO A 3 -12.506 1.254 -5.520 1.00 0.00 N ATOM 37 CA PRO A 3 -11.227 1.868 -5.185 1.00 0.00 C ATOM 38 C PRO A 3 -11.338 2.759 -3.948 1.00 0.00 C ATOM 39 O PRO A 3 -10.384 2.877 -3.189 1.00 0.00 O ATOM 40 CB PRO A 3 -10.779 2.638 -6.434 1.00 0.00 C ATOM 41 CG PRO A 3 -12.067 2.821 -7.236 1.00 0.00 C ATOM 42 CD PRO A 3 -12.859 1.558 -6.898 1.00 0.00 C ATOM 0 HA PRO A 3 -10.483 1.117 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.332 3.597 -6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.032 2.081 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.602 3.724 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.870 2.901 -8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.931 1.723 -7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.596 0.736 -7.564 1.00 0.00 H new ATOM 50 N GLU A 4 -12.506 3.367 -3.723 1.00 0.00 N ATOM 51 CA GLU A 4 -12.813 4.195 -2.583 1.00 0.00 C ATOM 52 C GLU A 4 -12.513 3.443 -1.280 1.00 0.00 C ATOM 53 O GLU A 4 -12.008 4.019 -0.320 1.00 0.00 O ATOM 54 CB GLU A 4 -14.301 4.518 -2.707 1.00 0.00 C ATOM 55 CG GLU A 4 -14.611 5.423 -3.909 1.00 0.00 C ATOM 56 CD GLU A 4 -16.116 5.561 -4.113 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.704 6.434 -3.440 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.646 4.784 -4.936 1.00 0.00 O ATOM 0 H GLU A 4 -13.291 3.283 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.211 5.103 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.864 3.589 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.641 5.005 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.170 6.407 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.155 5.009 -4.808 1.00 0.00 H new ATOM 65 N GLU A 5 -12.805 2.141 -1.246 1.00 0.00 N ATOM 66 CA GLU A 5 -12.556 1.321 -0.071 1.00 0.00 C ATOM 67 C GLU A 5 -11.050 1.236 0.146 1.00 0.00 C ATOM 68 O GLU A 5 -10.553 1.451 1.249 1.00 0.00 O ATOM 69 CB GLU A 5 -13.150 -0.083 -0.265 1.00 0.00 C ATOM 70 CG GLU A 5 -14.633 -0.045 -0.651 1.00 0.00 C ATOM 71 CD GLU A 5 -15.501 0.561 0.446 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.831 -0.196 1.384 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.814 1.765 0.325 1.00 0.00 O ATOM 0 H GLU A 5 -13.218 1.634 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.031 1.768 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.590 -0.607 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.032 -0.654 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.753 0.533 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.976 -1.057 -0.866 1.00 0.00 H new ATOM 80 N LEU A 6 -10.318 0.938 -0.927 1.00 0.00 N ATOM 81 CA LEU A 6 -8.872 0.792 -0.878 1.00 0.00 C ATOM 82 C LEU A 6 -8.265 2.121 -0.431 1.00 0.00 C ATOM 83 O LEU A 6 -7.322 2.147 0.351 1.00 0.00 O ATOM 84 CB LEU A 6 -8.327 0.302 -2.228 1.00 0.00 C ATOM 85 CG LEU A 6 -8.966 -1.014 -2.712 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.374 -1.396 -4.071 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.746 -2.175 -1.736 1.00 0.00 C ATOM 0 H LEU A 6 -10.716 0.792 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.588 0.030 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.493 1.074 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.249 0.164 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.040 -0.840 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.825 -2.327 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.579 -0.605 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.296 -1.529 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.218 -3.075 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.677 -2.350 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.186 -1.927 -0.770 1.00 0.00 H new ATOM 99 N LYS A 7 -8.822 3.229 -0.916 1.00 0.00 N ATOM 100 CA LYS A 7 -8.432 4.574 -0.544 1.00 0.00 C ATOM 101 C LYS A 7 -8.672 4.811 0.947 1.00 0.00 C ATOM 102 O LYS A 7 -7.794 5.329 1.634 1.00 0.00 O ATOM 103 CB LYS A 7 -9.212 5.563 -1.419 1.00 0.00 C ATOM 104 CG LYS A 7 -8.618 6.974 -1.353 1.00 0.00 C ATOM 105 CD LYS A 7 -9.288 7.876 -2.397 1.00 0.00 C ATOM 106 CE LYS A 7 -8.684 9.285 -2.394 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.266 9.277 -2.800 1.00 0.00 N ATOM 0 H LYS A 7 -9.579 3.207 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.365 4.720 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.208 5.215 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.253 5.591 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.760 7.391 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.543 6.934 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.176 7.433 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.357 7.937 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.251 9.925 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.774 9.716 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.091 10.056 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.664 9.397 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.042 8.372 -3.260 1.00 0.00 H new ATOM 121 N GLY A 8 -9.844 4.428 1.456 1.00 0.00 N ATOM 122 CA GLY A 8 -10.178 4.607 2.858 1.00 0.00 C ATOM 123 C GLY A 8 -9.183 3.840 3.721 1.00 0.00 C ATOM 124 O GLY A 8 -8.601 4.380 4.655 1.00 0.00 O ATOM 0 H GLY A 8 -10.581 3.988 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.157 5.666 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.191 4.252 3.050 1.00 0.00 H new ATOM 128 N ILE A 9 -8.984 2.568 3.390 1.00 0.00 N ATOM 129 CA ILE A 9 -8.073 1.675 4.087 1.00 0.00 C ATOM 130 C ILE A 9 -6.640 2.222 4.023 1.00 0.00 C ATOM 131 O ILE A 9 -5.958 2.296 5.043 1.00 0.00 O ATOM 132 CB ILE A 9 -8.232 0.274 3.482 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.663 -0.265 3.709 1.00 0.00 C ATOM 134 CG2 ILE A 9 -7.162 -0.687 4.003 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.984 -0.695 5.143 1.00 0.00 C ATOM 0 H ILE A 9 -9.465 2.121 2.610 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.309 1.608 5.149 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.082 0.352 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.374 0.505 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.821 -1.117 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.305 -1.670 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.174 -0.309 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.243 -0.769 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.011 -1.057 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.304 -1.491 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.866 0.156 5.813 1.00 0.00 H new ATOM 147 N PHE A 10 -6.186 2.620 2.831 1.00 0.00 N ATOM 148 CA PHE A 10 -4.871 3.216 2.626 1.00 0.00 C ATOM 149 C PHE A 10 -4.725 4.389 3.590 1.00 0.00 C ATOM 150 O PHE A 10 -3.775 4.444 4.364 1.00 0.00 O ATOM 151 CB PHE A 10 -4.735 3.711 1.176 1.00 0.00 C ATOM 152 CG PHE A 10 -3.516 4.576 0.910 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.523 5.919 1.332 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.297 3.996 0.519 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.334 6.487 1.807 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.103 4.709 0.713 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.115 5.862 1.513 1.00 0.00 C ATOM 0 H PHE A 10 -6.731 2.534 1.973 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.092 2.476 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.701 2.846 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.629 4.277 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.431 6.502 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.279 3.012 0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.357 7.395 2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.186 4.374 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.191 6.265 1.900 1.00 0.00 H new ATOM 167 N GLU A 11 -5.678 5.326 3.533 1.00 0.00 N ATOM 168 CA GLU A 11 -5.679 6.514 4.364 1.00 0.00 C ATOM 169 C GLU A 11 -5.627 6.115 5.835 1.00 0.00 C ATOM 170 O GLU A 11 -4.871 6.696 6.604 1.00 0.00 O ATOM 171 CB GLU A 11 -6.907 7.372 4.037 1.00 0.00 C ATOM 172 CG GLU A 11 -6.804 8.765 4.672 1.00 0.00 C ATOM 173 CD GLU A 11 -7.989 9.638 4.273 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.947 10.166 3.140 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.918 9.750 5.101 1.00 0.00 O ATOM 0 H GLU A 11 -6.475 5.271 2.899 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.794 7.116 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.006 7.470 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.807 6.873 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.766 8.672 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.875 9.243 4.360 1.00 0.00 H new ATOM 182 N LYS A 12 -6.424 5.123 6.231 1.00 0.00 N ATOM 183 CA LYS A 12 -6.458 4.636 7.598 1.00 0.00 C ATOM 184 C LYS A 12 -5.062 4.176 8.027 1.00 0.00 C ATOM 185 O LYS A 12 -4.540 4.665 9.028 1.00 0.00 O ATOM 186 CB LYS A 12 -7.513 3.529 7.742 1.00 0.00 C ATOM 187 CG LYS A 12 -7.826 3.244 9.217 1.00 0.00 C ATOM 188 CD LYS A 12 -8.938 2.197 9.381 1.00 0.00 C ATOM 189 CE LYS A 12 -8.545 0.788 8.914 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.391 0.262 9.663 1.00 0.00 N ATOM 0 H LYS A 12 -7.065 4.636 5.605 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.751 5.445 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.426 3.825 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.155 2.618 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.923 2.894 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.125 4.170 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.229 2.153 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.815 2.523 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.394 0.115 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.307 0.811 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.600 0.093 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.102 0.953 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.655 -0.631 10.125 1.00 0.00 H new ATOM 204 N TYR A 13 -4.434 3.250 7.296 1.00 0.00 N ATOM 205 CA TYR A 13 -3.114 2.779 7.687 1.00 0.00 C ATOM 206 C TYR A 13 -2.098 3.917 7.632 1.00 0.00 C ATOM 207 O TYR A 13 -1.285 4.050 8.541 1.00 0.00 O ATOM 208 CB TYR A 13 -2.706 1.538 6.894 1.00 0.00 C ATOM 209 CG TYR A 13 -3.235 0.257 7.509 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.596 -0.059 7.370 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.372 -0.641 8.173 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.092 -1.270 7.873 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.890 -1.818 8.739 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.238 -2.160 8.546 1.00 0.00 C ATOM 215 OH TYR A 13 -4.712 -3.360 8.979 1.00 0.00 O ATOM 0 H TYR A 13 -4.812 2.823 6.450 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.146 2.454 8.727 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.075 1.626 5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.619 1.488 6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.262 0.632 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.317 -0.424 8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.135 -1.520 7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.250 -2.461 9.324 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.961 -3.963 9.157 1.00 0.00 H new ATOM 225 N ALA A 14 -2.137 4.764 6.604 1.00 0.00 N ATOM 226 CA ALA A 14 -1.227 5.904 6.554 1.00 0.00 C ATOM 227 C ALA A 14 -1.387 6.753 7.832 1.00 0.00 C ATOM 228 O ALA A 14 -0.417 7.127 8.498 1.00 0.00 O ATOM 229 CB ALA A 14 -1.528 6.692 5.279 1.00 0.00 C ATOM 0 H ALA A 14 -2.774 4.685 5.812 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.186 5.583 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.861 7.552 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.376 6.051 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.562 7.036 5.300 1.00 0.00 H new ATOM 235 N ALA A 15 -2.643 7.025 8.194 1.00 0.00 N ATOM 236 CA ALA A 15 -3.007 7.809 9.360 1.00 0.00 C ATOM 237 C ALA A 15 -2.484 7.143 10.633 1.00 0.00 C ATOM 238 O ALA A 15 -2.023 7.853 11.521 1.00 0.00 O ATOM 239 CB ALA A 15 -4.520 8.035 9.419 1.00 0.00 C ATOM 0 H ALA A 15 -3.450 6.694 7.666 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.539 8.790 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.766 8.625 10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.843 8.568 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.030 7.073 9.472 1.00 0.00 H new ATOM 245 N LYS A 16 -2.547 5.803 10.734 1.00 0.00 N ATOM 246 CA LYS A 16 -2.011 5.056 11.871 1.00 0.00 C ATOM 247 C LYS A 16 -0.643 5.596 12.292 1.00 0.00 C ATOM 248 O LYS A 16 -0.434 5.893 13.465 1.00 0.00 O ATOM 249 CB LYS A 16 -1.867 3.568 11.518 1.00 0.00 C ATOM 250 CG LYS A 16 -2.352 2.629 12.625 1.00 0.00 C ATOM 251 CD LYS A 16 -3.882 2.536 12.743 1.00 0.00 C ATOM 252 CE LYS A 16 -4.561 2.155 11.421 1.00 0.00 C ATOM 253 NZ LYS A 16 -3.982 0.935 10.827 1.00 0.00 N ATOM 0 H LYS A 16 -2.975 5.211 10.022 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.712 5.174 12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.428 3.363 10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.820 3.353 11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.951 1.632 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.945 2.967 13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.138 1.798 13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.274 3.494 13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.627 2.003 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.467 2.980 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.575 0.620 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.022 1.138 10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.940 0.185 11.546 1.00 0.00 H new ATOM 267 N GLU A 17 0.287 5.721 11.335 1.00 0.00 N ATOM 268 CA GLU A 17 1.603 6.255 11.649 1.00 0.00 C ATOM 269 C GLU A 17 1.482 7.760 11.885 1.00 0.00 C ATOM 270 O GLU A 17 1.981 8.269 12.885 1.00 0.00 O ATOM 271 CB GLU A 17 2.617 5.940 10.543 1.00 0.00 C ATOM 272 CG GLU A 17 4.020 6.342 11.025 1.00 0.00 C ATOM 273 CD GLU A 17 5.103 5.966 10.026 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.573 4.810 10.107 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.443 6.838 9.198 1.00 0.00 O ATOM 0 H GLU A 17 0.149 5.463 10.358 1.00 0.00 H new ATOM 0 HA GLU A 17 1.976 5.778 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.592 4.878 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.362 6.482 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.047 7.418 11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.226 5.859 11.980 1.00 0.00 H new ATOM 282 N GLY A 18 0.825 8.475 10.970 1.00 0.00 N ATOM 283 CA GLY A 18 0.638 9.907 11.132 1.00 0.00 C ATOM 284 C GLY A 18 0.256 10.577 9.822 1.00 0.00 C ATOM 285 O GLY A 18 -0.868 11.046 9.666 1.00 0.00 O ATOM 0 H GLY A 18 0.419 8.085 10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.139 10.091 11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.556 10.353 11.514 1.00 0.00 H new ATOM 289 N ASP A 19 1.198 10.637 8.878 1.00 0.00 N ATOM 290 CA ASP A 19 0.967 11.269 7.585 1.00 0.00 C ATOM 291 C ASP A 19 -0.194 10.545 6.890 1.00 0.00 C ATOM 292 O ASP A 19 -0.058 9.361 6.604 1.00 0.00 O ATOM 293 CB ASP A 19 2.248 11.214 6.745 1.00 0.00 C ATOM 294 CG ASP A 19 2.089 12.005 5.450 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.243 11.587 4.629 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.800 13.024 5.309 1.00 0.00 O ATOM 0 H ASP A 19 2.135 10.250 8.991 1.00 0.00 H new ATOM 0 HA ASP A 19 0.702 12.319 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.082 11.616 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.491 10.177 6.514 1.00 0.00 H new ATOM 301 N PRO A 20 -1.329 11.204 6.609 1.00 0.00 N ATOM 302 CA PRO A 20 -2.480 10.533 6.026 1.00 0.00 C ATOM 303 C PRO A 20 -2.268 10.137 4.559 1.00 0.00 C ATOM 304 O PRO A 20 -3.002 9.291 4.054 1.00 0.00 O ATOM 305 CB PRO A 20 -3.637 11.525 6.178 1.00 0.00 C ATOM 306 CG PRO A 20 -2.939 12.884 6.145 1.00 0.00 C ATOM 307 CD PRO A 20 -1.621 12.604 6.867 1.00 0.00 C ATOM 0 HA PRO A 20 -2.674 9.588 6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.362 11.425 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.178 11.373 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.776 13.230 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.523 13.652 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.824 13.247 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.710 12.796 7.936 1.00 0.00 H new ATOM 315 N ASN A 21 -1.293 10.727 3.855 1.00 0.00 N ATOM 316 CA ASN A 21 -1.031 10.419 2.458 1.00 0.00 C ATOM 317 C ASN A 21 0.002 9.307 2.311 1.00 0.00 C ATOM 318 O ASN A 21 -0.086 8.579 1.329 1.00 0.00 O ATOM 319 CB ASN A 21 -0.567 11.666 1.696 1.00 0.00 C ATOM 320 CG ASN A 21 0.026 11.287 0.336 1.00 0.00 C ATOM 321 OD1 ASN A 21 -0.647 10.787 -0.559 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.319 11.484 0.148 1.00 0.00 N ATOM 0 H ASN A 21 -0.667 11.431 4.246 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.970 10.072 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.408 12.344 1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.178 12.201 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.752 11.221 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.885 11.899 0.888 1.00 0.00 H new ATOM 329 N GLN A 22 0.972 9.177 3.227 1.00 0.00 N ATOM 330 CA GLN A 22 2.029 8.174 3.115 1.00 0.00 C ATOM 331 C GLN A 22 1.894 6.938 4.011 1.00 0.00 C ATOM 332 O GLN A 22 1.678 7.033 5.214 1.00 0.00 O ATOM 333 CB GLN A 22 3.422 8.754 3.406 1.00 0.00 C ATOM 334 CG GLN A 22 4.106 9.578 2.306 1.00 0.00 C ATOM 335 CD GLN A 22 4.036 11.056 2.654 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.311 11.830 2.041 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.785 11.471 3.663 1.00 0.00 N ATOM 0 H GLN A 22 1.042 9.762 4.060 1.00 0.00 H new ATOM 0 HA GLN A 22 1.913 7.860 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.343 9.382 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.082 7.925 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.146 9.268 2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.620 9.397 1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.382 10.810 4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.765 12.452 3.943 1.00 0.00 H new ATOM 346 N LEU A 23 2.107 5.773 3.400 1.00 0.00 N ATOM 347 CA LEU A 23 2.211 4.467 4.041 1.00 0.00 C ATOM 348 C LEU A 23 3.697 4.170 4.227 1.00 0.00 C ATOM 349 O LEU A 23 4.368 3.856 3.251 1.00 0.00 O ATOM 350 CB LEU A 23 1.679 3.379 3.099 1.00 0.00 C ATOM 351 CG LEU A 23 0.200 3.049 3.240 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.139 2.001 2.171 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.166 2.474 4.608 1.00 0.00 C ATOM 0 H LEU A 23 2.217 5.714 2.388 1.00 0.00 H new ATOM 0 HA LEU A 23 1.653 4.475 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.866 3.691 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.253 2.468 3.266 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.363 3.975 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.195 1.738 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.069 2.410 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.468 1.110 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.235 2.262 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.392 1.553 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.083 3.197 5.385 1.00 0.00 H new ATOM 365 N SER A 24 4.252 4.235 5.434 1.00 0.00 N ATOM 366 CA SER A 24 5.671 3.932 5.602 1.00 0.00 C ATOM 367 C SER A 24 5.952 2.479 5.207 1.00 0.00 C ATOM 368 O SER A 24 5.027 1.676 5.155 1.00 0.00 O ATOM 369 CB SER A 24 6.112 4.201 7.040 1.00 0.00 C ATOM 370 OG SER A 24 5.545 3.251 7.920 1.00 0.00 O ATOM 0 H SER A 24 3.757 4.488 6.290 1.00 0.00 H new ATOM 0 HA SER A 24 6.247 4.584 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.199 4.162 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.810 5.205 7.337 1.00 0.00 H new ATOM 0 HG SER A 24 5.481 3.635 8.819 1.00 0.00 H new ATOM 376 N LYS A 25 7.211 2.117 4.942 1.00 0.00 N ATOM 377 CA LYS A 25 7.565 0.728 4.647 1.00 0.00 C ATOM 378 C LYS A 25 6.976 -0.185 5.725 1.00 0.00 C ATOM 379 O LYS A 25 6.295 -1.171 5.444 1.00 0.00 O ATOM 380 CB LYS A 25 9.093 0.617 4.489 1.00 0.00 C ATOM 381 CG LYS A 25 9.682 -0.763 4.828 1.00 0.00 C ATOM 382 CD LYS A 25 11.194 -0.860 4.559 1.00 0.00 C ATOM 383 CE LYS A 25 11.536 -0.630 3.081 1.00 0.00 C ATOM 384 NZ LYS A 25 12.939 -0.957 2.773 1.00 0.00 N ATOM 0 H LYS A 25 7.999 2.765 4.926 1.00 0.00 H new ATOM 0 HA LYS A 25 7.135 0.398 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.356 0.865 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.565 1.364 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.492 -0.984 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.166 -1.525 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.718 -0.125 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.553 -1.843 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.879 -1.238 2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.343 0.412 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.251 -0.406 1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.537 -0.724 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.021 -1.972 2.562 1.00 0.00 H new ATOM 398 N GLU A 26 7.235 0.189 6.973 1.00 0.00 N ATOM 399 CA GLU A 26 6.710 -0.508 8.136 1.00 0.00 C ATOM 400 C GLU A 26 5.177 -0.569 8.064 1.00 0.00 C ATOM 401 O GLU A 26 4.590 -1.635 8.213 1.00 0.00 O ATOM 402 CB GLU A 26 7.208 0.187 9.414 1.00 0.00 C ATOM 403 CG GLU A 26 6.771 -0.538 10.696 1.00 0.00 C ATOM 404 CD GLU A 26 7.257 -1.986 10.742 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.492 -2.168 10.722 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.386 -2.881 10.782 1.00 0.00 O ATOM 0 H GLU A 26 7.820 0.991 7.205 1.00 0.00 H new ATOM 0 HA GLU A 26 7.071 -1.536 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.296 0.247 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.833 1.210 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.156 -0.001 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.683 -0.520 10.767 1.00 0.00 H new ATOM 413 N GLU A 27 4.513 0.565 7.835 1.00 0.00 N ATOM 414 CA GLU A 27 3.058 0.605 7.765 1.00 0.00 C ATOM 415 C GLU A 27 2.508 -0.315 6.670 1.00 0.00 C ATOM 416 O GLU A 27 1.519 -1.020 6.879 1.00 0.00 O ATOM 417 CB GLU A 27 2.593 2.051 7.567 1.00 0.00 C ATOM 418 CG GLU A 27 1.108 2.237 7.878 1.00 0.00 C ATOM 419 CD GLU A 27 0.760 2.008 9.348 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.556 2.453 10.204 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.294 1.383 9.594 1.00 0.00 O ATOM 0 H GLU A 27 4.965 1.469 7.695 1.00 0.00 H new ATOM 0 HA GLU A 27 2.660 0.230 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.180 2.709 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.786 2.353 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.809 3.246 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.527 1.549 7.264 1.00 0.00 H new ATOM 428 N LEU A 28 3.138 -0.318 5.494 1.00 0.00 N ATOM 429 CA LEU A 28 2.707 -1.164 4.398 1.00 0.00 C ATOM 430 C LEU A 28 2.721 -2.622 4.848 1.00 0.00 C ATOM 431 O LEU A 28 1.798 -3.362 4.524 1.00 0.00 O ATOM 432 CB LEU A 28 3.633 -0.962 3.193 1.00 0.00 C ATOM 433 CG LEU A 28 3.196 -1.766 1.956 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.896 -1.236 1.339 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.306 -1.728 0.907 1.00 0.00 C ATOM 0 H LEU A 28 3.951 0.261 5.283 1.00 0.00 H new ATOM 0 HA LEU A 28 1.692 -0.896 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.663 0.097 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.647 -1.252 3.468 1.00 0.00 H new ATOM 0 HG LEU A 28 3.009 -2.789 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.633 -1.839 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.094 -1.292 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.035 -0.199 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.998 -2.297 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.499 -0.695 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.214 -2.165 1.322 1.00 0.00 H new ATOM 447 N LYS A 29 3.755 -3.030 5.592 1.00 0.00 N ATOM 448 CA LYS A 29 3.874 -4.408 6.064 1.00 0.00 C ATOM 449 C LYS A 29 2.573 -4.839 6.740 1.00 0.00 C ATOM 450 O LYS A 29 1.868 -5.711 6.235 1.00 0.00 O ATOM 451 CB LYS A 29 5.075 -4.573 7.010 1.00 0.00 C ATOM 452 CG LYS A 29 5.250 -6.012 7.516 1.00 0.00 C ATOM 453 CD LYS A 29 5.827 -6.926 6.429 1.00 0.00 C ATOM 454 CE LYS A 29 5.945 -8.383 6.887 1.00 0.00 C ATOM 455 NZ LYS A 29 6.852 -8.532 8.038 1.00 0.00 N ATOM 0 H LYS A 29 4.522 -2.421 5.879 1.00 0.00 H new ATOM 0 HA LYS A 29 4.051 -5.055 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.983 -4.263 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.952 -3.907 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.910 -6.016 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.287 -6.402 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.193 -6.877 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.811 -6.560 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.957 -8.760 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.307 -8.994 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.995 -9.542 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.767 -8.090 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.435 -8.069 8.871 1.00 0.00 H new ATOM 469 N LEU A 30 2.261 -4.231 7.887 1.00 0.00 N ATOM 470 CA LEU A 30 1.042 -4.536 8.625 1.00 0.00 C ATOM 471 C LEU A 30 -0.179 -4.485 7.704 1.00 0.00 C ATOM 472 O LEU A 30 -1.002 -5.396 7.731 1.00 0.00 O ATOM 473 CB LEU A 30 0.829 -3.659 9.872 1.00 0.00 C ATOM 474 CG LEU A 30 1.665 -2.382 10.035 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.912 -1.385 10.922 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.015 -2.679 10.691 1.00 0.00 C ATOM 0 H LEU A 30 2.845 -3.518 8.325 1.00 0.00 H new ATOM 0 HA LEU A 30 1.167 -5.553 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.222 -3.370 9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.007 -4.283 10.748 1.00 0.00 H new ATOM 0 HG LEU A 30 1.835 -1.968 9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.507 -0.479 11.037 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.043 -1.136 10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.736 -1.830 11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.582 -1.754 10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.852 -3.114 11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.574 -3.381 10.072 1.00 0.00 H new ATOM 488 N LEU A 31 -0.311 -3.434 6.893 1.00 0.00 N ATOM 489 CA LEU A 31 -1.430 -3.290 5.966 1.00 0.00 C ATOM 490 C LEU A 31 -1.622 -4.552 5.125 1.00 0.00 C ATOM 491 O LEU A 31 -2.678 -5.189 5.157 1.00 0.00 O ATOM 492 CB LEU A 31 -1.196 -2.083 5.045 1.00 0.00 C ATOM 493 CG LEU A 31 -2.475 -1.425 4.505 1.00 0.00 C ATOM 494 CD1 LEU A 31 -2.130 -0.626 3.252 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.642 -2.362 4.191 1.00 0.00 C ATOM 0 H LEU A 31 0.354 -2.661 6.862 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.335 -3.132 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.622 -1.334 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.584 -2.401 4.201 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.833 -0.799 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.032 -0.155 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.398 0.142 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.713 -1.294 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.485 -1.781 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.336 -3.084 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.938 -2.890 5.097 1.00 0.00 H new ATOM 507 N LEU A 32 -0.586 -4.902 4.362 1.00 0.00 N ATOM 508 CA LEU A 32 -0.625 -6.045 3.470 1.00 0.00 C ATOM 509 C LEU A 32 -0.907 -7.313 4.253 1.00 0.00 C ATOM 510 O LEU A 32 -1.738 -8.124 3.857 1.00 0.00 O ATOM 511 CB LEU A 32 0.673 -6.195 2.674 1.00 0.00 C ATOM 512 CG LEU A 32 0.974 -5.014 1.750 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.314 -5.271 1.055 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.107 -4.790 0.684 1.00 0.00 C ATOM 0 H LEU A 32 0.300 -4.397 4.350 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.431 -5.874 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.502 -6.319 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.619 -7.106 2.077 1.00 0.00 H new ATOM 0 HG LEU A 32 1.004 -4.115 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.545 -4.438 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.100 -5.367 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.252 -6.191 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.167 -3.938 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.194 -5.681 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.062 -4.592 1.170 1.00 0.00 H new ATOM 526 N GLN A 33 -0.219 -7.478 5.376 1.00 0.00 N ATOM 527 CA GLN A 33 -0.377 -8.626 6.228 1.00 0.00 C ATOM 528 C GLN A 33 -1.830 -8.750 6.699 1.00 0.00 C ATOM 529 O GLN A 33 -2.359 -9.855 6.768 1.00 0.00 O ATOM 530 CB GLN A 33 0.597 -8.437 7.386 1.00 0.00 C ATOM 531 CG GLN A 33 2.058 -8.668 6.979 1.00 0.00 C ATOM 532 CD GLN A 33 2.386 -10.145 6.806 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.475 -10.654 5.698 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.584 -10.863 7.900 1.00 0.00 N ATOM 0 H GLN A 33 0.469 -6.805 5.715 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.156 -9.556 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.491 -7.427 7.783 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.336 -9.125 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.260 -8.142 6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.715 -8.239 7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.507 -10.425 8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.814 -11.854 7.825 1.00 0.00 H new ATOM 543 N THR A 34 -2.481 -7.627 7.019 1.00 0.00 N ATOM 544 CA THR A 34 -3.856 -7.638 7.491 1.00 0.00 C ATOM 545 C THR A 34 -4.854 -7.939 6.369 1.00 0.00 C ATOM 546 O THR A 34 -5.649 -8.868 6.493 1.00 0.00 O ATOM 547 CB THR A 34 -4.243 -6.302 8.163 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.296 -5.851 9.112 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.585 -6.457 8.894 1.00 0.00 C ATOM 0 H THR A 34 -2.068 -6.696 6.957 1.00 0.00 H new ATOM 0 HA THR A 34 -3.908 -8.439 8.228 1.00 0.00 H new ATOM 0 HB THR A 34 -4.295 -5.570 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.492 -5.537 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.853 -5.512 9.366 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.358 -6.738 8.179 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.497 -7.231 9.656 1.00 0.00 H new ATOM 557 N GLU A 35 -4.857 -7.130 5.301 1.00 0.00 N ATOM 558 CA GLU A 35 -5.889 -7.201 4.264 1.00 0.00 C ATOM 559 C GLU A 35 -5.475 -7.775 2.908 1.00 0.00 C ATOM 560 O GLU A 35 -6.337 -7.931 2.047 1.00 0.00 O ATOM 561 CB GLU A 35 -6.507 -5.806 4.108 1.00 0.00 C ATOM 562 CG GLU A 35 -7.072 -5.308 5.449 1.00 0.00 C ATOM 563 CD GLU A 35 -7.813 -3.986 5.318 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.657 -3.888 4.402 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.521 -3.100 6.149 1.00 0.00 O ATOM 0 H GLU A 35 -4.149 -6.414 5.134 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.611 -7.937 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.753 -5.108 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.301 -5.836 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.748 -6.060 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.256 -5.194 6.163 1.00 0.00 H new ATOM 572 N PHE A 36 -4.200 -8.096 2.688 1.00 0.00 N ATOM 573 CA PHE A 36 -3.722 -8.636 1.416 1.00 0.00 C ATOM 574 C PHE A 36 -2.811 -9.866 1.613 1.00 0.00 C ATOM 575 O PHE A 36 -1.801 -9.961 0.914 1.00 0.00 O ATOM 576 CB PHE A 36 -2.978 -7.507 0.675 1.00 0.00 C ATOM 577 CG PHE A 36 -3.798 -6.263 0.357 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.989 -5.260 1.328 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.337 -6.085 -0.931 1.00 0.00 C ATOM 580 CE1 PHE A 36 -4.709 -4.096 1.012 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.043 -4.913 -1.251 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.219 -3.913 -0.282 1.00 0.00 C ATOM 0 H PHE A 36 -3.468 -7.988 3.390 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.571 -8.983 0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.120 -7.208 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.587 -7.909 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.580 -5.387 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.207 -6.854 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.870 -3.340 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.450 -4.782 -2.243 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.746 -3.004 -0.532 1.00 0.00 H new ATOM 592 N PRO A 37 -3.122 -10.816 2.518 1.00 0.00 N ATOM 593 CA PRO A 37 -2.261 -11.956 2.829 1.00 0.00 C ATOM 594 C PRO A 37 -1.846 -12.805 1.624 1.00 0.00 C ATOM 595 O PRO A 37 -0.676 -13.145 1.500 1.00 0.00 O ATOM 596 CB PRO A 37 -2.992 -12.771 3.902 1.00 0.00 C ATOM 597 CG PRO A 37 -4.447 -12.322 3.782 1.00 0.00 C ATOM 598 CD PRO A 37 -4.311 -10.864 3.353 1.00 0.00 C ATOM 0 HA PRO A 37 -1.302 -11.586 3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.889 -13.842 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.593 -12.570 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.994 -12.912 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.980 -12.418 4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.191 -10.533 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.211 -10.208 4.218 1.00 0.00 H new ATOM 606 N SER A 38 -2.779 -13.158 0.735 1.00 0.00 N ATOM 607 CA SER A 38 -2.458 -13.945 -0.459 1.00 0.00 C ATOM 608 C SER A 38 -2.312 -13.055 -1.691 1.00 0.00 C ATOM 609 O SER A 38 -2.010 -13.555 -2.772 1.00 0.00 O ATOM 610 CB SER A 38 -3.523 -15.027 -0.684 1.00 0.00 C ATOM 611 OG SER A 38 -3.133 -15.882 -1.742 1.00 0.00 O ATOM 0 H SER A 38 -3.765 -12.910 0.820 1.00 0.00 H new ATOM 0 HA SER A 38 -1.497 -14.433 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.663 -15.606 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.481 -14.562 -0.916 1.00 0.00 H new ATOM 0 HG SER A 38 -2.558 -15.390 -2.365 1.00 0.00 H new ATOM 617 N LEU A 39 -2.533 -11.750 -1.541 1.00 0.00 N ATOM 618 CA LEU A 39 -2.437 -10.778 -2.595 1.00 0.00 C ATOM 619 C LEU A 39 -1.015 -10.208 -2.641 1.00 0.00 C ATOM 620 O LEU A 39 -0.574 -9.769 -3.699 1.00 0.00 O ATOM 621 CB LEU A 39 -3.524 -9.747 -2.311 1.00 0.00 C ATOM 622 CG LEU A 39 -4.949 -10.224 -2.652 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.946 -9.106 -2.330 1.00 0.00 C ATOM 624 CD2 LEU A 39 -5.112 -10.623 -4.125 1.00 0.00 C ATOM 0 H LEU A 39 -2.792 -11.340 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.603 -11.193 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.486 -9.476 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.309 -8.843 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.140 -11.112 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.956 -9.439 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.887 -8.860 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.705 -8.222 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.137 -10.950 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.889 -9.766 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.426 -11.437 -4.360 1.00 0.00 H new ATOM 636 N LEU A 40 -0.277 -10.229 -1.524 1.00 0.00 N ATOM 637 CA LEU A 40 1.124 -9.799 -1.454 1.00 0.00 C ATOM 638 C LEU A 40 2.075 -10.811 -2.127 1.00 0.00 C ATOM 639 O LEU A 40 3.064 -11.227 -1.539 1.00 0.00 O ATOM 640 CB LEU A 40 1.515 -9.459 0.003 1.00 0.00 C ATOM 641 CG LEU A 40 1.310 -10.540 1.092 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.407 -11.609 1.189 1.00 0.00 C ATOM 643 CD2 LEU A 40 1.189 -9.868 2.465 1.00 0.00 C ATOM 0 H LEU A 40 -0.644 -10.551 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 40 1.232 -8.881 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.568 -9.179 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.949 -8.576 0.301 1.00 0.00 H new ATOM 0 HG LEU A 40 0.401 -11.061 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.160 -12.313 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.480 -12.143 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.362 -11.132 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.045 -10.630 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.099 -9.308 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.337 -9.189 2.464 1.00 0.00 H new ATOM 655 N LYS A 41 1.779 -11.207 -3.370 1.00 0.00 N ATOM 656 CA LYS A 41 2.504 -12.175 -4.193 1.00 0.00 C ATOM 657 C LYS A 41 3.961 -11.780 -4.505 1.00 0.00 C ATOM 658 O LYS A 41 4.321 -11.566 -5.660 1.00 0.00 O ATOM 659 CB LYS A 41 1.725 -12.421 -5.501 1.00 0.00 C ATOM 660 CG LYS A 41 0.245 -12.782 -5.302 1.00 0.00 C ATOM 661 CD LYS A 41 -0.404 -13.131 -6.650 1.00 0.00 C ATOM 662 CE LYS A 41 -1.865 -12.668 -6.711 1.00 0.00 C ATOM 663 NZ LYS A 41 -1.955 -11.206 -6.894 1.00 0.00 N ATOM 0 H LYS A 41 0.968 -10.831 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 41 2.571 -13.090 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.788 -11.526 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.211 -13.225 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.158 -13.627 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.282 -11.946 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.160 -12.664 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.356 -14.208 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.375 -13.172 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.379 -12.954 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.955 -10.924 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.504 -10.727 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.470 -10.936 -7.774 1.00 0.00 H new ATOM 677 N GLY A 42 4.809 -11.699 -3.483 1.00 0.00 N ATOM 678 CA GLY A 42 6.229 -11.396 -3.588 1.00 0.00 C ATOM 679 C GLY A 42 7.029 -12.699 -3.531 1.00 0.00 C ATOM 680 O GLY A 42 6.536 -13.701 -3.018 1.00 0.00 O ATOM 0 H GLY A 42 4.510 -11.850 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.433 -10.871 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.532 -10.734 -2.777 1.00 0.00 H new ATOM 684 N GLY A 43 8.260 -12.696 -4.050 1.00 0.00 N ATOM 685 CA GLY A 43 9.137 -13.861 -4.077 1.00 0.00 C ATOM 686 C GLY A 43 10.522 -13.561 -3.506 1.00 0.00 C ATOM 687 O GLY A 43 11.506 -14.156 -3.935 1.00 0.00 O ATOM 0 H GLY A 43 8.679 -11.866 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.680 -14.670 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.239 -14.212 -5.104 1.00 0.00 H new ATOM 691 N SER A 44 10.626 -12.636 -2.548 1.00 0.00 N ATOM 692 CA SER A 44 11.873 -12.277 -1.896 1.00 0.00 C ATOM 693 C SER A 44 11.563 -11.693 -0.513 1.00 0.00 C ATOM 694 O SER A 44 11.492 -12.435 0.461 1.00 0.00 O ATOM 695 CB SER A 44 12.663 -11.318 -2.793 1.00 0.00 C ATOM 696 OG SER A 44 13.279 -12.025 -3.851 1.00 0.00 O ATOM 0 H SER A 44 9.824 -12.109 -2.202 1.00 0.00 H new ATOM 0 HA SER A 44 12.502 -13.154 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.997 -10.556 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.420 -10.800 -2.204 1.00 0.00 H new ATOM 0 HG SER A 44 12.823 -12.883 -3.981 1.00 0.00 H new ATOM 702 N THR A 45 11.365 -10.378 -0.416 1.00 0.00 N ATOM 703 CA THR A 45 11.050 -9.673 0.816 1.00 0.00 C ATOM 704 C THR A 45 10.214 -8.463 0.411 1.00 0.00 C ATOM 705 O THR A 45 10.298 -8.039 -0.739 1.00 0.00 O ATOM 706 CB THR A 45 12.329 -9.213 1.539 1.00 0.00 C ATOM 707 OG1 THR A 45 13.076 -8.344 0.710 1.00 0.00 O ATOM 708 CG2 THR A 45 13.230 -10.369 1.978 1.00 0.00 C ATOM 0 H THR A 45 11.423 -9.758 -1.224 1.00 0.00 H new ATOM 0 HA THR A 45 10.514 -10.325 1.506 1.00 0.00 H new ATOM 0 HB THR A 45 11.994 -8.698 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.264 -7.512 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.112 -9.972 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.683 -11.017 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.538 -10.943 1.104 1.00 0.00 H new ATOM 716 N LEU A 46 9.427 -7.904 1.338 1.00 0.00 N ATOM 717 CA LEU A 46 8.563 -6.742 1.119 1.00 0.00 C ATOM 718 C LEU A 46 9.225 -5.672 0.251 1.00 0.00 C ATOM 719 O LEU A 46 8.580 -5.064 -0.598 1.00 0.00 O ATOM 720 CB LEU A 46 8.182 -6.138 2.480 1.00 0.00 C ATOM 721 CG LEU A 46 7.258 -4.912 2.369 1.00 0.00 C ATOM 722 CD1 LEU A 46 5.934 -5.258 1.678 1.00 0.00 C ATOM 723 CD2 LEU A 46 6.964 -4.355 3.764 1.00 0.00 C ATOM 0 H LEU A 46 9.374 -8.261 2.292 1.00 0.00 H new ATOM 0 HA LEU A 46 7.677 -7.084 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.689 -6.901 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.091 -5.852 3.009 1.00 0.00 H new ATOM 0 HG LEU A 46 7.774 -4.166 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.310 -4.366 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.134 -5.628 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.415 -6.027 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.310 -3.487 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.475 -5.121 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.898 -4.059 4.242 1.00 0.00 H new ATOM 735 N ASP A 47 10.520 -5.460 0.482 1.00 0.00 N ATOM 736 CA ASP A 47 11.374 -4.505 -0.206 1.00 0.00 C ATOM 737 C ASP A 47 11.132 -4.579 -1.711 1.00 0.00 C ATOM 738 O ASP A 47 10.971 -3.558 -2.361 1.00 0.00 O ATOM 739 CB ASP A 47 12.851 -4.784 0.105 1.00 0.00 C ATOM 740 CG ASP A 47 13.125 -4.852 1.601 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.316 -3.774 2.204 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.105 -5.993 2.118 1.00 0.00 O ATOM 0 H ASP A 47 11.026 -5.983 1.197 1.00 0.00 H new ATOM 0 HA ASP A 47 11.129 -3.502 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.146 -5.725 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.467 -4.003 -0.340 1.00 0.00 H new ATOM 747 N GLU A 48 11.083 -5.792 -2.258 1.00 0.00 N ATOM 748 CA GLU A 48 10.843 -6.026 -3.673 1.00 0.00 C ATOM 749 C GLU A 48 9.659 -5.208 -4.204 1.00 0.00 C ATOM 750 O GLU A 48 9.724 -4.589 -5.261 1.00 0.00 O ATOM 751 CB GLU A 48 10.700 -7.546 -3.872 1.00 0.00 C ATOM 752 CG GLU A 48 9.283 -8.090 -3.638 1.00 0.00 C ATOM 753 CD GLU A 48 9.264 -9.613 -3.631 1.00 0.00 C ATOM 754 OE1 GLU A 48 9.325 -10.191 -4.738 1.00 0.00 O ATOM 755 OE2 GLU A 48 9.190 -10.189 -2.524 1.00 0.00 O ATOM 0 H GLU A 48 11.211 -6.649 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 48 11.684 -5.674 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.009 -7.797 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.387 -8.054 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.901 -7.716 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.617 -7.720 -4.418 1.00 0.00 H new ATOM 762 N LEU A 49 8.573 -5.229 -3.439 1.00 0.00 N ATOM 763 CA LEU A 49 7.311 -4.578 -3.724 1.00 0.00 C ATOM 764 C LEU A 49 7.329 -3.111 -3.295 1.00 0.00 C ATOM 765 O LEU A 49 7.110 -2.210 -4.103 1.00 0.00 O ATOM 766 CB LEU A 49 6.215 -5.428 -3.062 1.00 0.00 C ATOM 767 CG LEU A 49 4.831 -4.783 -3.026 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.337 -4.431 -4.436 1.00 0.00 C ATOM 769 CD2 LEU A 49 3.840 -5.740 -2.356 1.00 0.00 C ATOM 0 H LEU A 49 8.555 -5.732 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 49 7.111 -4.528 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.143 -6.378 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.520 -5.655 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 49 4.902 -3.857 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.349 -3.974 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.031 -3.731 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.279 -5.338 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.852 -5.281 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.793 -6.670 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.169 -5.951 -1.339 1.00 0.00 H new ATOM 781 N PHE A 50 7.593 -2.861 -2.013 1.00 0.00 N ATOM 782 CA PHE A 50 7.641 -1.542 -1.431 1.00 0.00 C ATOM 783 C PHE A 50 8.572 -0.634 -2.235 1.00 0.00 C ATOM 784 O PHE A 50 8.265 0.536 -2.394 1.00 0.00 O ATOM 785 CB PHE A 50 8.104 -1.684 0.023 1.00 0.00 C ATOM 786 CG PHE A 50 8.546 -0.378 0.629 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.839 0.075 0.331 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.612 0.494 1.210 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.205 1.404 0.595 1.00 0.00 C ATOM 790 CE2 PHE A 50 7.987 1.817 1.503 1.00 0.00 C ATOM 791 CZ PHE A 50 9.289 2.264 1.219 1.00 0.00 C ATOM 0 H PHE A 50 7.784 -3.602 -1.339 1.00 0.00 H new ATOM 0 HA PHE A 50 6.655 -1.078 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.291 -2.098 0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.927 -2.397 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.558 -0.603 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.612 0.151 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.186 1.762 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.272 2.493 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.584 3.269 1.481 1.00 0.00 H new ATOM 801 N GLU A 51 9.704 -1.133 -2.739 1.00 0.00 N ATOM 802 CA GLU A 51 10.625 -0.267 -3.472 1.00 0.00 C ATOM 803 C GLU A 51 10.014 0.180 -4.799 1.00 0.00 C ATOM 804 O GLU A 51 10.198 1.326 -5.193 1.00 0.00 O ATOM 805 CB GLU A 51 12.008 -0.910 -3.652 1.00 0.00 C ATOM 806 CG GLU A 51 12.784 -1.069 -2.330 1.00 0.00 C ATOM 807 CD GLU A 51 13.123 0.245 -1.632 1.00 0.00 C ATOM 808 OE1 GLU A 51 13.330 1.248 -2.348 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.175 0.216 -0.382 1.00 0.00 O ATOM 0 H GLU A 51 9.998 -2.106 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 51 10.786 0.627 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.888 -1.890 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.596 -0.303 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.196 -1.685 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.710 -1.609 -2.530 1.00 0.00 H new ATOM 816 N GLU A 52 9.264 -0.694 -5.479 1.00 0.00 N ATOM 817 CA GLU A 52 8.590 -0.306 -6.713 1.00 0.00 C ATOM 818 C GLU A 52 7.581 0.775 -6.336 1.00 0.00 C ATOM 819 O GLU A 52 7.464 1.816 -6.976 1.00 0.00 O ATOM 820 CB GLU A 52 7.876 -1.525 -7.321 1.00 0.00 C ATOM 821 CG GLU A 52 6.867 -1.118 -8.408 1.00 0.00 C ATOM 822 CD GLU A 52 6.199 -2.334 -9.041 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.198 -2.802 -8.457 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.693 -2.769 -10.104 1.00 0.00 O ATOM 0 H GLU A 52 9.112 -1.662 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 52 9.296 0.067 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.615 -2.203 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.359 -2.073 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.106 -0.470 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.376 -0.540 -9.179 1.00 0.00 H new ATOM 831 N LEU A 53 6.838 0.480 -5.274 1.00 0.00 N ATOM 832 CA LEU A 53 5.805 1.334 -4.737 1.00 0.00 C ATOM 833 C LEU A 53 6.329 2.694 -4.273 1.00 0.00 C ATOM 834 O LEU A 53 5.660 3.702 -4.479 1.00 0.00 O ATOM 835 CB LEU A 53 5.134 0.578 -3.590 1.00 0.00 C ATOM 836 CG LEU A 53 4.035 -0.367 -4.080 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.679 -1.297 -2.920 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.790 0.412 -4.511 1.00 0.00 C ATOM 0 H LEU A 53 6.948 -0.390 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 53 5.088 1.562 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.886 0.006 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.708 1.293 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 53 4.390 -0.929 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.896 -1.987 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.562 -1.862 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.325 -0.706 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.026 -0.285 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.407 0.983 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.050 1.094 -5.321 1.00 0.00 H new ATOM 850 N ASP A 54 7.507 2.760 -3.652 1.00 0.00 N ATOM 851 CA ASP A 54 8.104 3.997 -3.164 1.00 0.00 C ATOM 852 C ASP A 54 8.712 4.728 -4.363 1.00 0.00 C ATOM 853 O ASP A 54 9.909 5.002 -4.399 1.00 0.00 O ATOM 854 CB ASP A 54 9.154 3.663 -2.087 1.00 0.00 C ATOM 855 CG ASP A 54 9.743 4.902 -1.405 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.341 6.031 -1.766 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.609 4.720 -0.521 1.00 0.00 O ATOM 0 H ASP A 54 8.082 1.937 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 54 7.363 4.648 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.697 3.024 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.962 3.090 -2.543 1.00 0.00 H new ATOM 862 N LYS A 55 7.881 5.051 -5.356 1.00 0.00 N ATOM 863 CA LYS A 55 8.306 5.689 -6.589 1.00 0.00 C ATOM 864 C LYS A 55 8.943 7.045 -6.289 1.00 0.00 C ATOM 865 O LYS A 55 9.884 7.459 -6.958 1.00 0.00 O ATOM 866 CB LYS A 55 7.093 5.775 -7.521 1.00 0.00 C ATOM 867 CG LYS A 55 7.476 6.127 -8.961 1.00 0.00 C ATOM 868 CD LYS A 55 6.231 6.123 -9.857 1.00 0.00 C ATOM 869 CE LYS A 55 5.744 4.702 -10.177 1.00 0.00 C ATOM 870 NZ LYS A 55 4.596 4.723 -11.100 1.00 0.00 N ATOM 0 H LYS A 55 6.878 4.871 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 55 9.077 5.107 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.566 4.821 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.400 6.525 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.950 7.108 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.206 5.409 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.431 6.676 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.454 6.646 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.558 4.128 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.462 4.196 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.291 3.748 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.812 5.251 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.874 5.185 -11.989 1.00 0.00 H new ATOM 884 N ASN A 56 8.428 7.732 -5.268 1.00 0.00 N ATOM 885 CA ASN A 56 8.947 9.021 -4.839 1.00 0.00 C ATOM 886 C ASN A 56 10.292 8.880 -4.112 1.00 0.00 C ATOM 887 O ASN A 56 11.015 9.862 -3.990 1.00 0.00 O ATOM 888 CB ASN A 56 7.912 9.713 -3.944 1.00 0.00 C ATOM 889 CG ASN A 56 8.284 11.169 -3.671 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.645 11.914 -4.570 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.187 11.621 -2.431 1.00 0.00 N ATOM 0 H ASN A 56 7.635 7.404 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 56 9.128 9.632 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.933 9.671 -4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.830 9.175 -2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.414 12.594 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.885 10.997 -1.683 1.00 0.00 H new ATOM 898 N GLY A 57 10.643 7.683 -3.623 1.00 0.00 N ATOM 899 CA GLY A 57 11.891 7.439 -2.917 1.00 0.00 C ATOM 900 C GLY A 57 11.944 8.279 -1.646 1.00 0.00 C ATOM 901 O GLY A 57 12.812 9.137 -1.513 1.00 0.00 O ATOM 0 H GLY A 57 10.057 6.853 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.976 6.381 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.736 7.684 -3.560 1.00 0.00 H new ATOM 905 N ASP A 58 11.018 8.040 -0.707 1.00 0.00 N ATOM 906 CA ASP A 58 10.938 8.823 0.526 1.00 0.00 C ATOM 907 C ASP A 58 10.813 7.952 1.774 1.00 0.00 C ATOM 908 O ASP A 58 10.552 8.468 2.857 1.00 0.00 O ATOM 909 CB ASP A 58 9.803 9.856 0.422 1.00 0.00 C ATOM 910 CG ASP A 58 8.409 9.250 0.268 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.210 8.106 0.724 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.552 9.954 -0.309 1.00 0.00 O ATOM 0 H ASP A 58 10.313 7.307 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 58 11.881 9.358 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.817 10.483 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.998 10.508 -0.430 1.00 0.00 H new ATOM 917 N GLY A 59 10.983 6.637 1.640 1.00 0.00 N ATOM 918 CA GLY A 59 10.887 5.731 2.775 1.00 0.00 C ATOM 919 C GLY A 59 9.451 5.261 2.996 1.00 0.00 C ATOM 920 O GLY A 59 9.219 4.366 3.811 1.00 0.00 O ATOM 0 H GLY A 59 11.188 6.178 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.532 4.868 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.249 6.231 3.673 1.00 0.00 H new ATOM 924 N GLU A 60 8.479 5.835 2.276 1.00 0.00 N ATOM 925 CA GLU A 60 7.099 5.445 2.350 1.00 0.00 C ATOM 926 C GLU A 60 6.552 5.220 0.936 1.00 0.00 C ATOM 927 O GLU A 60 7.223 5.439 -0.063 1.00 0.00 O ATOM 928 CB GLU A 60 6.336 6.572 3.056 1.00 0.00 C ATOM 929 CG GLU A 60 7.107 7.214 4.226 1.00 0.00 C ATOM 930 CD GLU A 60 6.212 8.113 5.070 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.505 7.549 5.933 1.00 0.00 O ATOM 932 OE2 GLU A 60 6.223 9.339 4.818 1.00 0.00 O ATOM 0 H GLU A 60 8.651 6.596 1.619 1.00 0.00 H new ATOM 0 HA GLU A 60 6.984 4.514 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.093 7.345 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.391 6.178 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.531 6.431 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.941 7.796 3.835 1.00 0.00 H new ATOM 939 N VAL A 61 5.299 4.806 0.888 1.00 0.00 N ATOM 940 CA VAL A 61 4.438 4.605 -0.260 1.00 0.00 C ATOM 941 C VAL A 61 3.375 5.680 -0.041 1.00 0.00 C ATOM 942 O VAL A 61 3.349 6.306 1.015 1.00 0.00 O ATOM 943 CB VAL A 61 3.852 3.179 -0.233 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.901 2.902 -1.406 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.007 2.179 -0.275 1.00 0.00 C ATOM 0 H VAL A 61 4.806 4.577 1.751 1.00 0.00 H new ATOM 0 HA VAL A 61 4.928 4.689 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 61 3.268 3.077 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.520 1.883 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.068 3.604 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.439 3.022 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.610 1.164 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.583 2.327 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.652 2.332 0.590 1.00 0.00 H new ATOM 955 N SER A 62 2.475 5.924 -0.981 1.00 0.00 N ATOM 956 CA SER A 62 1.429 6.914 -0.796 1.00 0.00 C ATOM 957 C SER A 62 0.280 6.491 -1.692 1.00 0.00 C ATOM 958 O SER A 62 0.508 5.680 -2.581 1.00 0.00 O ATOM 959 CB SER A 62 1.950 8.336 -1.056 1.00 0.00 C ATOM 960 OG SER A 62 1.187 9.037 -2.014 1.00 0.00 O ATOM 0 H SER A 62 2.449 5.447 -1.882 1.00 0.00 H new ATOM 0 HA SER A 62 1.078 6.955 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.949 8.894 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.985 8.282 -1.393 1.00 0.00 H new ATOM 0 HG SER A 62 0.494 9.561 -1.561 1.00 0.00 H new ATOM 966 N PHE A 63 -0.935 6.999 -1.477 1.00 0.00 N ATOM 967 CA PHE A 63 -2.078 6.579 -2.288 1.00 0.00 C ATOM 968 C PHE A 63 -1.783 6.650 -3.790 1.00 0.00 C ATOM 969 O PHE A 63 -2.099 5.722 -4.533 1.00 0.00 O ATOM 970 CB PHE A 63 -3.369 7.306 -1.915 1.00 0.00 C ATOM 971 CG PHE A 63 -4.567 6.846 -2.733 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.257 5.687 -2.334 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.811 7.387 -4.012 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.283 5.161 -3.138 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.767 6.793 -4.859 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.591 5.764 -4.367 1.00 0.00 C ATOM 0 H PHE A 63 -1.151 7.691 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.245 5.528 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.576 7.148 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.230 8.378 -2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.997 5.199 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.264 8.258 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.834 4.292 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.867 7.126 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.454 5.441 -4.931 1.00 0.00 H new ATOM 986 N GLU A 64 -1.166 7.746 -4.228 1.00 0.00 N ATOM 987 CA GLU A 64 -0.824 7.974 -5.623 1.00 0.00 C ATOM 988 C GLU A 64 -0.058 6.782 -6.213 1.00 0.00 C ATOM 989 O GLU A 64 -0.438 6.226 -7.238 1.00 0.00 O ATOM 990 CB GLU A 64 -0.008 9.275 -5.710 1.00 0.00 C ATOM 991 CG GLU A 64 0.245 9.723 -7.157 1.00 0.00 C ATOM 992 CD GLU A 64 -1.049 10.005 -7.919 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.872 10.771 -7.374 1.00 0.00 O ATOM 994 OE2 GLU A 64 -1.192 9.443 -9.026 1.00 0.00 O ATOM 0 H GLU A 64 -0.887 8.509 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.733 8.074 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.536 10.066 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.948 9.133 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.863 10.621 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.809 8.950 -7.679 1.00 0.00 H new ATOM 1001 N GLU A 65 1.028 6.391 -5.549 1.00 0.00 N ATOM 1002 CA GLU A 65 1.895 5.301 -5.986 1.00 0.00 C ATOM 1003 C GLU A 65 1.218 3.954 -5.719 1.00 0.00 C ATOM 1004 O GLU A 65 1.354 3.007 -6.487 1.00 0.00 O ATOM 1005 CB GLU A 65 3.280 5.381 -5.311 1.00 0.00 C ATOM 1006 CG GLU A 65 3.463 6.559 -4.343 1.00 0.00 C ATOM 1007 CD GLU A 65 4.894 6.759 -3.847 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.793 6.901 -4.704 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.061 6.813 -2.611 1.00 0.00 O ATOM 0 H GLU A 65 1.334 6.829 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 65 2.058 5.397 -7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.457 4.453 -4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.043 5.446 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.133 7.473 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.812 6.409 -3.482 1.00 0.00 H new ATOM 1016 N PHE A 66 0.476 3.881 -4.614 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.255 2.700 -4.164 1.00 0.00 C ATOM 1018 C PHE A 66 -1.155 2.137 -5.262 1.00 0.00 C ATOM 1019 O PHE A 66 -1.413 0.936 -5.281 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.029 3.027 -2.888 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.985 1.968 -2.393 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.500 0.723 -1.961 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.367 2.232 -2.361 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.401 -0.276 -1.558 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.264 1.238 -1.940 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.782 -0.020 -1.543 1.00 0.00 C ATOM 0 H PHE A 66 0.364 4.675 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 66 0.462 1.912 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.310 3.235 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.593 3.945 -3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.437 0.534 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.738 3.201 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.030 -1.245 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.325 1.440 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.472 -0.789 -1.227 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.617 2.968 -6.202 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.423 2.470 -7.309 1.00 0.00 C ATOM 1038 C GLN A 67 -1.694 1.343 -8.060 1.00 0.00 C ATOM 1039 O GLN A 67 -2.330 0.463 -8.635 1.00 0.00 O ATOM 1040 CB GLN A 67 -2.966 3.610 -8.191 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.632 4.726 -7.382 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.624 4.136 -6.392 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.729 3.747 -6.744 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.245 4.049 -5.131 1.00 0.00 N ATOM 0 H GLN A 67 -1.447 3.974 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.323 2.004 -6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.148 4.031 -8.776 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.687 3.202 -8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.874 5.301 -6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.143 5.416 -8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.320 4.378 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.877 3.653 -4.435 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.356 1.324 -8.023 1.00 0.00 N ATOM 1054 CA VAL A 68 0.417 0.243 -8.614 1.00 0.00 C ATOM 1055 C VAL A 68 0.079 -1.063 -7.883 1.00 0.00 C ATOM 1056 O VAL A 68 -0.114 -2.091 -8.526 1.00 0.00 O ATOM 1057 CB VAL A 68 1.920 0.576 -8.593 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.760 -0.575 -9.161 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.211 1.834 -9.425 1.00 0.00 C ATOM 0 H VAL A 68 0.209 2.052 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 68 0.154 0.116 -9.664 1.00 0.00 H new ATOM 0 HB VAL A 68 2.190 0.742 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.816 -0.305 -9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.598 -1.473 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.464 -0.767 -10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.279 2.050 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.903 1.667 -10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.658 2.678 -9.013 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.029 -1.043 -6.551 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.399 -2.230 -5.785 1.00 0.00 C ATOM 1071 C LEU A 69 -1.805 -2.609 -6.229 1.00 0.00 C ATOM 1072 O LEU A 69 -2.037 -3.746 -6.631 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.321 -1.958 -4.270 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.752 -3.098 -3.328 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -2.273 -3.297 -3.255 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -0.035 -4.415 -3.637 1.00 0.00 C ATOM 0 H LEU A 69 0.136 -0.213 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 69 0.290 -3.054 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.707 -1.689 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.938 -1.087 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.438 -2.774 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.500 -4.116 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.743 -2.382 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.657 -3.534 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.375 -5.185 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.260 -4.721 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.041 -4.278 -3.528 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.730 -1.640 -6.167 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.123 -1.833 -6.579 1.00 0.00 C ATOM 1090 C VAL A 70 -4.192 -2.532 -7.944 1.00 0.00 C ATOM 1091 O VAL A 70 -5.043 -3.389 -8.162 1.00 0.00 O ATOM 1092 CB VAL A 70 -4.908 -0.510 -6.571 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.364 -0.742 -6.997 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -4.892 0.139 -5.179 1.00 0.00 C ATOM 0 H VAL A 70 -2.530 -0.699 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.603 -2.484 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.421 0.159 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.902 0.206 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.386 -1.159 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.839 -1.438 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.455 1.072 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.347 -0.539 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.863 0.345 -4.885 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.302 -2.183 -8.872 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.254 -2.838 -10.166 1.00 0.00 C ATOM 1106 C LYS A 71 -2.660 -4.250 -10.046 1.00 0.00 C ATOM 1107 O LYS A 71 -3.271 -5.223 -10.492 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.464 -1.960 -11.151 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.283 -2.579 -12.545 1.00 0.00 C ATOM 1110 CD LYS A 71 -3.617 -2.922 -13.223 1.00 0.00 C ATOM 1111 CE LYS A 71 -3.410 -3.365 -14.677 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.583 -4.581 -14.770 1.00 0.00 N ATOM 0 H LYS A 71 -2.606 -1.448 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.267 -2.959 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.974 -1.002 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.481 -1.754 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.728 -1.885 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.681 -3.484 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.116 -3.716 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.274 -2.053 -13.196 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.379 -3.549 -15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.935 -2.560 -15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.565 -4.914 -15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.614 -4.366 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.985 -5.322 -14.161 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.464 -4.394 -9.461 1.00 0.00 N ATOM 1127 CA LYS A 72 -0.768 -5.652 -9.412 1.00 0.00 C ATOM 1128 C LYS A 72 -1.462 -6.731 -8.576 1.00 0.00 C ATOM 1129 O LYS A 72 -1.182 -7.912 -8.760 1.00 0.00 O ATOM 1130 CB LYS A 72 0.690 -5.463 -9.023 1.00 0.00 C ATOM 1131 CG LYS A 72 1.671 -5.144 -10.164 1.00 0.00 C ATOM 1132 CD LYS A 72 1.378 -3.838 -10.905 1.00 0.00 C ATOM 1133 CE LYS A 72 2.430 -3.544 -11.982 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.773 -3.343 -11.407 1.00 0.00 N ATOM 0 H LYS A 72 -0.964 -3.628 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.797 -6.042 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.746 -4.658 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.030 -6.371 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.681 -5.097 -9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.655 -5.965 -10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.392 -3.896 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.349 -3.014 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.461 -4.370 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.138 -2.654 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.402 -2.935 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.710 -2.695 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.156 -4.257 -11.091 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.371 -6.384 -7.665 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.083 -7.432 -6.934 1.00 0.00 C ATOM 1150 C ILE A 73 -3.888 -8.301 -7.905 1.00 0.00 C ATOM 1151 O ILE A 73 -4.128 -9.471 -7.626 1.00 0.00 O ATOM 1152 CB ILE A 73 -3.995 -6.857 -5.853 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -4.805 -5.676 -6.385 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.140 -6.447 -4.654 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.140 -5.525 -5.675 1.00 0.00 C ATOM 0 H ILE A 73 -2.625 -5.427 -7.422 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.336 -8.049 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.712 -7.617 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.227 -4.759 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.977 -5.808 -7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.780 -6.034 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.614 -7.320 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.415 -5.694 -4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.678 -4.672 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.731 -6.430 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.970 -5.365 -4.610 1.00 0.00 H new ATOM 1167 N SER A 74 -4.267 -7.748 -9.064 1.00 0.00 N ATOM 1168 CA SER A 74 -4.960 -8.478 -10.111 1.00 0.00 C ATOM 1169 C SER A 74 -3.897 -8.860 -11.142 1.00 0.00 C ATOM 1170 O SER A 74 -4.146 -8.818 -12.342 1.00 0.00 O ATOM 1171 CB SER A 74 -6.037 -7.576 -10.723 1.00 0.00 C ATOM 1172 OG SER A 74 -6.925 -7.135 -9.715 1.00 0.00 O ATOM 0 H SER A 74 -4.095 -6.770 -9.295 1.00 0.00 H new ATOM 0 HA SER A 74 -5.459 -9.372 -9.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.572 -6.719 -11.211 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.586 -8.120 -11.491 1.00 0.00 H new ATOM 0 HG SER A 74 -7.610 -6.558 -10.112 1.00 0.00 H new ATOM 1178 N GLN A 75 -2.691 -9.194 -10.676 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.523 -9.523 -11.475 1.00 0.00 C ATOM 1180 C GLN A 75 -0.670 -10.545 -10.721 1.00 0.00 C ATOM 1181 O GLN A 75 -1.027 -10.977 -9.624 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.742 -8.217 -11.722 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.039 -8.161 -13.083 1.00 0.00 C ATOM 1184 CD GLN A 75 -0.964 -7.790 -14.247 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -0.496 -7.479 -15.333 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.280 -7.790 -14.081 1.00 0.00 N ATOM 0 H GLN A 75 -2.500 -9.243 -9.675 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.805 -9.963 -12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.429 -7.374 -11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.002 -8.096 -10.935 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.773 -7.435 -13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.414 -9.131 -13.287 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.680 -8.048 -13.179 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.892 -7.532 -14.855 1.00 0.00 H new TER 1195 GLN A 75