USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 737 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: A1722 LYS NZ :NH3+ 172:sc= 0.508 (180deg=-0.815) USER MOD Set 1.2: A1724 TYR OH : rot 180:sc= 0.898 USER MOD Set 2.1: A1689 ASN : amide:sc= 0.641 K(o=2.4,f=-7.1) USER MOD Set 2.2: A1712 LYS NZ :NH3+ -157:sc= 1.73 (180deg=-0.352) USER MOD Single : A1680 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1682 ASN : amide:sc= 1.59 K(o=1.6,f=-6!) USER MOD Single : A1684 SER OG : rot 180:sc= 0 USER MOD Single : A1688 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A1694 HIS : no HE2:sc= 0.611 K(o=0.61,f=-4.8!) USER MOD Single : A1697 HIS : no HD1:sc= 0 K(o=0,f=-0.93) USER MOD Single : A1704 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0.036) USER MOD Single : A1706 MET CE :methyl 175:sc= -1.14 (180deg=-1.19) USER MOD Single : A1711 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.1) USER MOD Single : A1713 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A1717 LYS NZ :NH3+ -178:sc= 0.794 (180deg=0.72) USER MOD Single : A1718 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.3) USER MOD Single : A1719 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A1726 SER OG : rot 180:sc= 0 USER MOD Single : A1729 THR OG1 : rot -38:sc= 0.895 USER MOD Single : A1743 LYS NZ :NH3+ -177:sc= 0.555 (180deg=0.221) USER MOD Single : A1748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1749 TYR OH : rot 180:sc= 0 USER MOD Single : A1752 SER OG : rot 104:sc= 1.31 USER MOD Single : A1753 HIS : no HE2:sc= 0.925 K(o=0.93,f=-3.4!) USER MOD Single : A1754 SER OG : rot 180:sc= 0 USER MOD Single : A1758 SER OG : rot 180:sc= 0 USER MOD Single : A1761 LYS NZ :NH3+ -159:sc= -0.112 (180deg=-0.635) USER MOD Single : A1764 CYS SG : rot 180:sc= -0.535 USER MOD Single : A1766 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1768 MET CE :methyl -170:sc= -1.68 (180deg=-2.19!) USER MOD Single : A1770 LYS NZ :NH3+ 158:sc= -0.202 (180deg=-0.763) USER MOD ----------------------------------------------------------------- ATOM 126 N ALA A1674 10.587 -1.168 -3.455 1.00 11.00 N ATOM 127 CA ALA A1674 9.225 -1.069 -2.941 1.00 31.13 C ATOM 128 C ALA A1674 8.314 -2.061 -3.629 1.00 74.33 C ATOM 129 O ALA A1674 7.420 -2.611 -3.018 1.00 31.24 O ATOM 130 CB ALA A1674 8.680 0.336 -3.130 1.00 24.12 C ATOM 0 HA ALA A1674 9.257 -1.299 -1.876 1.00 31.13 H new ATOM 0 HB1 ALA A1674 7.663 0.387 -2.740 1.00 24.12 H new ATOM 0 HB2 ALA A1674 9.310 1.046 -2.595 1.00 24.12 H new ATOM 0 HB3 ALA A1674 8.674 0.584 -4.191 1.00 24.12 H new ATOM 136 N ILE A1675 8.586 -2.311 -4.888 1.00 65.43 N ATOM 137 CA ILE A1675 7.791 -3.205 -5.695 1.00 34.21 C ATOM 138 C ILE A1675 7.955 -4.655 -5.222 1.00 42.40 C ATOM 139 O ILE A1675 6.965 -5.369 -5.027 1.00 61.35 O ATOM 140 CB ILE A1675 8.176 -3.069 -7.191 1.00 33.51 C ATOM 141 CG1 ILE A1675 8.032 -1.600 -7.646 1.00 21.31 C ATOM 142 CG2 ILE A1675 7.341 -3.999 -8.072 1.00 35.31 C ATOM 143 CD1 ILE A1675 6.635 -1.039 -7.547 1.00 4.43 C ATOM 0 H ILE A1675 9.373 -1.895 -5.386 1.00 65.43 H new ATOM 0 HA ILE A1675 6.742 -2.930 -5.583 1.00 34.21 H new ATOM 0 HB ILE A1675 9.218 -3.369 -7.301 1.00 33.51 H new ATOM 0 HG12 ILE A1675 8.700 -0.982 -7.046 1.00 21.31 H new ATOM 0 HG13 ILE A1675 8.368 -1.520 -8.680 1.00 21.31 H new ATOM 0 HG21 ILE A1675 7.638 -3.877 -9.114 1.00 35.31 H new ATOM 0 HG22 ILE A1675 7.504 -5.033 -7.767 1.00 35.31 H new ATOM 0 HG23 ILE A1675 6.285 -3.751 -7.964 1.00 35.31 H new ATOM 0 HD11 ILE A1675 6.634 -0.004 -7.888 1.00 4.43 H new ATOM 0 HD12 ILE A1675 5.962 -1.627 -8.170 1.00 4.43 H new ATOM 0 HD13 ILE A1675 6.299 -1.080 -6.511 1.00 4.43 H new ATOM 155 N GLU A1676 9.199 -5.069 -4.983 1.00 12.22 N ATOM 156 CA GLU A1676 9.455 -6.431 -4.527 1.00 0.44 C ATOM 157 C GLU A1676 8.935 -6.611 -3.107 1.00 20.55 C ATOM 158 O GLU A1676 8.404 -7.681 -2.755 1.00 2.40 O ATOM 159 CB GLU A1676 10.944 -6.806 -4.605 1.00 62.22 C ATOM 160 CG GLU A1676 11.844 -5.979 -3.724 1.00 30.12 C ATOM 161 CD GLU A1676 13.251 -6.458 -3.711 1.00 11.23 C ATOM 162 OE1 GLU A1676 13.569 -7.368 -2.919 1.00 42.42 O ATOM 163 OE2 GLU A1676 14.074 -5.938 -4.481 1.00 53.03 O ATOM 0 H GLU A1676 10.031 -4.490 -5.096 1.00 12.22 H new ATOM 0 HA GLU A1676 8.923 -7.105 -5.198 1.00 0.44 H new ATOM 0 HB2 GLU A1676 11.056 -7.856 -4.334 1.00 62.22 H new ATOM 0 HB3 GLU A1676 11.277 -6.707 -5.638 1.00 62.22 H new ATOM 0 HG2 GLU A1676 11.823 -4.944 -4.064 1.00 30.12 H new ATOM 0 HG3 GLU A1676 11.454 -5.989 -2.706 1.00 30.12 H new ATOM 170 N ILE A1677 9.069 -5.553 -2.290 1.00 62.42 N ATOM 171 CA ILE A1677 8.559 -5.575 -0.941 1.00 13.43 C ATOM 172 C ILE A1677 7.059 -5.718 -1.001 1.00 32.14 C ATOM 173 O ILE A1677 6.516 -6.601 -0.382 1.00 73.41 O ATOM 174 CB ILE A1677 8.924 -4.297 -0.113 1.00 1.44 C ATOM 175 CG1 ILE A1677 10.451 -4.095 0.004 1.00 53.52 C ATOM 176 CG2 ILE A1677 8.298 -4.354 1.279 1.00 52.43 C ATOM 177 CD1 ILE A1677 11.200 -5.228 0.669 1.00 35.12 C ATOM 0 H ILE A1677 9.528 -4.681 -2.555 1.00 62.42 H new ATOM 0 HA ILE A1677 9.026 -6.417 -0.431 1.00 13.43 H new ATOM 0 HB ILE A1677 8.516 -3.443 -0.654 1.00 1.44 H new ATOM 0 HG12 ILE A1677 10.860 -3.948 -0.996 1.00 53.52 H new ATOM 0 HG13 ILE A1677 10.639 -3.179 0.564 1.00 53.52 H new ATOM 0 HG21 ILE A1677 8.566 -3.456 1.835 1.00 52.43 H new ATOM 0 HG22 ILE A1677 7.214 -4.415 1.188 1.00 52.43 H new ATOM 0 HG23 ILE A1677 8.668 -5.232 1.808 1.00 52.43 H new ATOM 0 HD11 ILE A1677 12.263 -4.991 0.703 1.00 35.12 H new ATOM 0 HD12 ILE A1677 10.826 -5.365 1.684 1.00 35.12 H new ATOM 0 HD13 ILE A1677 11.051 -6.146 0.100 1.00 35.12 H new ATOM 189 N PHE A1678 6.427 -4.905 -1.841 1.00 74.02 N ATOM 190 CA PHE A1678 4.982 -4.879 -2.008 1.00 65.14 C ATOM 191 C PHE A1678 4.421 -6.255 -2.320 1.00 71.54 C ATOM 192 O PHE A1678 3.441 -6.695 -1.695 1.00 13.52 O ATOM 193 CB PHE A1678 4.605 -3.881 -3.120 1.00 61.44 C ATOM 194 CG PHE A1678 3.222 -4.049 -3.663 1.00 73.53 C ATOM 195 CD1 PHE A1678 2.120 -3.691 -2.923 1.00 64.12 C ATOM 196 CD2 PHE A1678 3.036 -4.596 -4.917 1.00 41.24 C ATOM 197 CE1 PHE A1678 0.851 -3.873 -3.423 1.00 42.41 C ATOM 198 CE2 PHE A1678 1.776 -4.784 -5.421 1.00 52.34 C ATOM 199 CZ PHE A1678 0.679 -4.419 -4.674 1.00 51.52 C ATOM 0 H PHE A1678 6.915 -4.234 -2.435 1.00 74.02 H new ATOM 0 HA PHE A1678 4.541 -4.558 -1.064 1.00 65.14 H new ATOM 0 HB2 PHE A1678 4.708 -2.868 -2.731 1.00 61.44 H new ATOM 0 HB3 PHE A1678 5.318 -3.983 -3.938 1.00 61.44 H new ATOM 0 HD1 PHE A1678 2.252 -3.263 -1.940 1.00 64.12 H new ATOM 0 HD2 PHE A1678 3.894 -4.879 -5.508 1.00 41.24 H new ATOM 0 HE1 PHE A1678 -0.008 -3.588 -2.834 1.00 42.41 H new ATOM 0 HE2 PHE A1678 1.644 -5.217 -6.401 1.00 52.34 H new ATOM 0 HZ PHE A1678 -0.316 -4.561 -5.070 1.00 51.52 H new ATOM 209 N GLU A1679 5.043 -6.944 -3.245 1.00 72.50 N ATOM 210 CA GLU A1679 4.570 -8.247 -3.635 1.00 41.05 C ATOM 211 C GLU A1679 4.654 -9.247 -2.479 1.00 51.34 C ATOM 212 O GLU A1679 3.664 -9.902 -2.149 1.00 3.30 O ATOM 213 CB GLU A1679 5.297 -8.766 -4.880 1.00 1.20 C ATOM 214 CG GLU A1679 5.132 -7.856 -6.089 1.00 51.24 C ATOM 215 CD GLU A1679 5.608 -8.477 -7.377 1.00 31.12 C ATOM 216 OE1 GLU A1679 6.790 -8.343 -7.732 1.00 32.53 O ATOM 217 OE2 GLU A1679 4.775 -9.105 -8.079 1.00 74.33 O ATOM 0 H GLU A1679 5.876 -6.624 -3.740 1.00 72.50 H new ATOM 0 HA GLU A1679 3.517 -8.140 -3.897 1.00 41.05 H new ATOM 0 HB2 GLU A1679 6.358 -8.874 -4.656 1.00 1.20 H new ATOM 0 HB3 GLU A1679 4.921 -9.759 -5.126 1.00 1.20 H new ATOM 0 HG2 GLU A1679 4.081 -7.587 -6.191 1.00 51.24 H new ATOM 0 HG3 GLU A1679 5.682 -6.931 -5.916 1.00 51.24 H new ATOM 224 N LYS A1680 5.810 -9.354 -1.855 1.00 2.03 N ATOM 225 CA LYS A1680 5.980 -10.311 -0.776 1.00 71.31 C ATOM 226 C LYS A1680 5.233 -9.899 0.502 1.00 75.32 C ATOM 227 O LYS A1680 4.734 -10.745 1.240 1.00 12.15 O ATOM 228 CB LYS A1680 7.455 -10.627 -0.495 1.00 22.44 C ATOM 229 CG LYS A1680 8.278 -9.502 0.085 1.00 11.44 C ATOM 230 CD LYS A1680 9.682 -9.983 0.374 1.00 31.05 C ATOM 231 CE LYS A1680 10.493 -8.923 1.071 1.00 54.31 C ATOM 232 NZ LYS A1680 11.855 -9.388 1.374 1.00 51.21 N ATOM 0 H LYS A1680 6.637 -8.798 -2.072 1.00 2.03 H new ATOM 0 HA LYS A1680 5.521 -11.236 -1.125 1.00 71.31 H new ATOM 0 HB2 LYS A1680 7.500 -11.473 0.191 1.00 22.44 H new ATOM 0 HB3 LYS A1680 7.921 -10.947 -1.427 1.00 22.44 H new ATOM 0 HG2 LYS A1680 8.308 -8.665 -0.613 1.00 11.44 H new ATOM 0 HG3 LYS A1680 7.814 -9.136 1.001 1.00 11.44 H new ATOM 0 HD2 LYS A1680 9.641 -10.878 0.994 1.00 31.05 H new ATOM 0 HD3 LYS A1680 10.171 -10.263 -0.559 1.00 31.05 H new ATOM 0 HE2 LYS A1680 10.544 -8.033 0.444 1.00 54.31 H new ATOM 0 HE3 LYS A1680 9.994 -8.633 1.996 1.00 54.31 H new ATOM 0 HZ1 LYS A1680 12.382 -8.630 1.853 1.00 51.21 H new ATOM 0 HZ2 LYS A1680 11.807 -10.222 1.993 1.00 51.21 H new ATOM 0 HZ3 LYS A1680 12.340 -9.641 0.490 1.00 51.21 H new ATOM 246 N VAL A1681 5.146 -8.600 0.736 1.00 73.42 N ATOM 247 CA VAL A1681 4.570 -8.060 1.954 1.00 5.11 C ATOM 248 C VAL A1681 3.069 -8.352 2.012 1.00 30.32 C ATOM 249 O VAL A1681 2.541 -8.794 3.036 1.00 53.12 O ATOM 250 CB VAL A1681 4.876 -6.516 2.096 1.00 64.30 C ATOM 251 CG1 VAL A1681 3.957 -5.607 1.303 1.00 45.52 C ATOM 252 CG2 VAL A1681 4.962 -6.087 3.505 1.00 10.24 C ATOM 0 H VAL A1681 5.475 -7.888 0.083 1.00 73.42 H new ATOM 0 HA VAL A1681 5.037 -8.555 2.805 1.00 5.11 H new ATOM 0 HB VAL A1681 5.860 -6.401 1.642 1.00 64.30 H new ATOM 0 HG11 VAL A1681 4.245 -4.568 1.464 1.00 45.52 H new ATOM 0 HG12 VAL A1681 4.036 -5.845 0.242 1.00 45.52 H new ATOM 0 HG13 VAL A1681 2.928 -5.753 1.632 1.00 45.52 H new ATOM 0 HG21 VAL A1681 5.174 -5.019 3.548 1.00 10.24 H new ATOM 0 HG22 VAL A1681 4.015 -6.290 4.005 1.00 10.24 H new ATOM 0 HG23 VAL A1681 5.761 -6.635 4.004 1.00 10.24 H new ATOM 262 N ASN A1682 2.404 -8.202 0.885 1.00 54.02 N ATOM 263 CA ASN A1682 0.982 -8.450 0.812 1.00 30.55 C ATOM 264 C ASN A1682 0.671 -9.911 0.897 1.00 15.23 C ATOM 265 O ASN A1682 -0.395 -10.282 1.296 1.00 33.21 O ATOM 266 CB ASN A1682 0.268 -7.730 -0.345 1.00 65.45 C ATOM 267 CG ASN A1682 0.214 -6.227 -0.117 1.00 51.00 C ATOM 268 OD1 ASN A1682 -0.711 -5.705 0.487 1.00 14.23 O ATOM 269 ND2 ASN A1682 1.196 -5.532 -0.586 1.00 23.03 N ATOM 0 H ASN A1682 2.829 -7.909 0.005 1.00 54.02 H new ATOM 0 HA ASN A1682 0.552 -7.986 1.700 1.00 30.55 H new ATOM 0 HB2 ASN A1682 0.787 -7.939 -1.281 1.00 65.45 H new ATOM 0 HB3 ASN A1682 -0.745 -8.120 -0.448 1.00 65.45 H new ATOM 0 HD21 ASN A1682 1.213 -4.520 -0.456 1.00 23.03 H new ATOM 0 HD22 ASN A1682 1.955 -5.995 -1.086 1.00 23.03 H new ATOM 276 N ALA A1683 1.644 -10.747 0.606 1.00 12.25 N ATOM 277 CA ALA A1683 1.457 -12.199 0.700 1.00 54.11 C ATOM 278 C ALA A1683 1.094 -12.609 2.150 1.00 20.44 C ATOM 279 O ALA A1683 0.540 -13.689 2.395 1.00 34.23 O ATOM 280 CB ALA A1683 2.699 -12.937 0.220 1.00 61.14 C ATOM 0 H ALA A1683 2.574 -10.458 0.302 1.00 12.25 H new ATOM 0 HA ALA A1683 0.628 -12.480 0.050 1.00 54.11 H new ATOM 0 HB1 ALA A1683 2.537 -14.012 0.299 1.00 61.14 H new ATOM 0 HB2 ALA A1683 2.899 -12.676 -0.819 1.00 61.14 H new ATOM 0 HB3 ALA A1683 3.552 -12.653 0.836 1.00 61.14 H new ATOM 286 N SER A1684 1.416 -11.740 3.100 1.00 32.44 N ATOM 287 CA SER A1684 1.059 -11.942 4.483 1.00 72.53 C ATOM 288 C SER A1684 -0.011 -10.921 4.935 1.00 64.42 C ATOM 289 O SER A1684 -0.821 -11.205 5.804 1.00 1.41 O ATOM 290 CB SER A1684 2.310 -11.792 5.346 1.00 13.32 C ATOM 291 OG SER A1684 3.353 -12.640 4.877 1.00 24.14 O ATOM 0 H SER A1684 1.932 -10.878 2.925 1.00 32.44 H new ATOM 0 HA SER A1684 0.642 -12.943 4.596 1.00 72.53 H new ATOM 0 HB2 SER A1684 2.645 -10.755 5.332 1.00 13.32 H new ATOM 0 HB3 SER A1684 2.074 -12.037 6.382 1.00 13.32 H new ATOM 0 HG SER A1684 4.145 -12.527 5.442 1.00 24.14 H new ATOM 297 N LEU A1685 -0.018 -9.756 4.316 1.00 34.45 N ATOM 298 CA LEU A1685 -0.878 -8.663 4.762 1.00 34.23 C ATOM 299 C LEU A1685 -2.214 -8.576 4.013 1.00 31.04 C ATOM 300 O LEU A1685 -3.208 -8.108 4.574 1.00 0.41 O ATOM 301 CB LEU A1685 -0.137 -7.350 4.627 1.00 22.54 C ATOM 302 CG LEU A1685 1.194 -7.233 5.367 1.00 42.34 C ATOM 303 CD1 LEU A1685 1.824 -5.896 5.080 1.00 72.33 C ATOM 304 CD2 LEU A1685 1.019 -7.424 6.862 1.00 40.04 C ATOM 0 H LEU A1685 0.559 -9.537 3.504 1.00 34.45 H new ATOM 0 HA LEU A1685 -1.123 -8.870 5.804 1.00 34.23 H new ATOM 0 HB2 LEU A1685 0.046 -7.170 3.568 1.00 22.54 H new ATOM 0 HB3 LEU A1685 -0.792 -6.552 4.977 1.00 22.54 H new ATOM 0 HG LEU A1685 1.851 -8.025 5.008 1.00 42.34 H new ATOM 0 HD11 LEU A1685 2.773 -5.819 5.611 1.00 72.33 H new ATOM 0 HD12 LEU A1685 1.999 -5.799 4.009 1.00 72.33 H new ATOM 0 HD13 LEU A1685 1.157 -5.101 5.412 1.00 72.33 H new ATOM 0 HD21 LEU A1685 1.986 -7.334 7.356 1.00 40.04 H new ATOM 0 HD22 LEU A1685 0.342 -6.663 7.249 1.00 40.04 H new ATOM 0 HD23 LEU A1685 0.603 -8.413 7.056 1.00 40.04 H new ATOM 316 N LEU A1686 -2.240 -9.038 2.779 1.00 35.33 N ATOM 317 CA LEU A1686 -3.435 -8.975 1.919 1.00 35.44 C ATOM 318 C LEU A1686 -4.633 -9.702 2.579 1.00 44.52 C ATOM 319 O LEU A1686 -5.737 -9.140 2.627 1.00 40.25 O ATOM 320 CB LEU A1686 -3.107 -9.540 0.509 1.00 44.30 C ATOM 321 CG LEU A1686 -4.016 -9.188 -0.685 1.00 13.43 C ATOM 322 CD1 LEU A1686 -5.350 -9.912 -0.637 1.00 41.11 C ATOM 323 CD2 LEU A1686 -4.225 -7.681 -0.776 1.00 73.42 C ATOM 0 H LEU A1686 -1.434 -9.473 2.329 1.00 35.33 H new ATOM 0 HA LEU A1686 -3.731 -7.933 1.797 1.00 35.44 H new ATOM 0 HB2 LEU A1686 -2.097 -9.217 0.256 1.00 44.30 H new ATOM 0 HB3 LEU A1686 -3.083 -10.627 0.591 1.00 44.30 H new ATOM 0 HG LEU A1686 -3.503 -9.530 -1.584 1.00 13.43 H new ATOM 0 HD11 LEU A1686 -5.950 -9.627 -1.501 1.00 41.11 H new ATOM 0 HD12 LEU A1686 -5.180 -10.989 -0.652 1.00 41.11 H new ATOM 0 HD13 LEU A1686 -5.879 -9.641 0.277 1.00 41.11 H new ATOM 0 HD21 LEU A1686 -4.869 -7.454 -1.625 1.00 73.42 H new ATOM 0 HD22 LEU A1686 -4.693 -7.323 0.141 1.00 73.42 H new ATOM 0 HD23 LEU A1686 -3.262 -7.188 -0.909 1.00 73.42 H new ATOM 335 N PRO A1687 -4.460 -10.947 3.138 1.00 45.21 N ATOM 336 CA PRO A1687 -5.546 -11.627 3.847 1.00 54.42 C ATOM 337 C PRO A1687 -5.972 -10.904 5.147 1.00 61.13 C ATOM 338 O PRO A1687 -6.939 -11.302 5.791 1.00 64.51 O ATOM 339 CB PRO A1687 -4.969 -13.018 4.170 1.00 22.34 C ATOM 340 CG PRO A1687 -3.498 -12.833 4.140 1.00 61.51 C ATOM 341 CD PRO A1687 -3.248 -11.820 3.068 1.00 2.34 C ATOM 0 HA PRO A1687 -6.450 -11.658 3.239 1.00 54.42 H new ATOM 0 HB2 PRO A1687 -5.304 -13.368 5.146 1.00 22.34 H new ATOM 0 HB3 PRO A1687 -5.290 -13.759 3.438 1.00 22.34 H new ATOM 0 HG2 PRO A1687 -3.126 -12.485 5.104 1.00 61.51 H new ATOM 0 HG3 PRO A1687 -2.988 -13.771 3.921 1.00 61.51 H new ATOM 0 HD2 PRO A1687 -2.334 -11.256 3.252 1.00 2.34 H new ATOM 0 HD3 PRO A1687 -3.143 -12.287 2.089 1.00 2.34 H new ATOM 349 N GLN A1688 -5.269 -9.838 5.535 1.00 31.24 N ATOM 350 CA GLN A1688 -5.636 -9.125 6.743 1.00 51.05 C ATOM 351 C GLN A1688 -6.459 -7.912 6.371 1.00 44.24 C ATOM 352 O GLN A1688 -6.869 -7.149 7.231 1.00 52.04 O ATOM 353 CB GLN A1688 -4.400 -8.651 7.496 1.00 50.44 C ATOM 354 CG GLN A1688 -3.395 -9.732 7.840 1.00 3.25 C ATOM 355 CD GLN A1688 -2.222 -9.184 8.631 1.00 5.14 C ATOM 356 OE1 GLN A1688 -1.898 -7.927 8.430 1.00 31.02 O flip ATOM 357 NE2 GLN A1688 -1.614 -9.885 9.433 1.00 55.54 N flip ATOM 0 H GLN A1688 -4.462 -9.462 5.038 1.00 31.24 H new ATOM 0 HA GLN A1688 -6.204 -9.803 7.381 1.00 51.05 H new ATOM 0 HB2 GLN A1688 -3.899 -7.890 6.897 1.00 50.44 H new ATOM 0 HB3 GLN A1688 -4.720 -8.169 8.420 1.00 50.44 H new ATOM 0 HG2 GLN A1688 -3.887 -10.515 8.417 1.00 3.25 H new ATOM 0 HG3 GLN A1688 -3.030 -10.193 6.922 1.00 3.25 H new ATOM 0 HE21 GLN A1688 -1.887 -10.858 9.569 1.00 55.54 H new ATOM 0 HE22 GLN A1688 -0.835 -9.495 9.964 1.00 55.54 H new ATOM 366 N ASN A1689 -6.720 -7.769 5.079 1.00 53.41 N ATOM 367 CA ASN A1689 -7.379 -6.585 4.524 1.00 60.43 C ATOM 368 C ASN A1689 -6.504 -5.382 4.637 1.00 61.44 C ATOM 369 O ASN A1689 -6.947 -4.259 4.869 1.00 43.24 O ATOM 370 CB ASN A1689 -8.826 -6.344 5.013 1.00 21.12 C ATOM 371 CG ASN A1689 -9.807 -7.113 4.159 1.00 32.20 C ATOM 372 OD1 ASN A1689 -9.546 -8.231 3.761 1.00 75.43 O ATOM 373 ND2 ASN A1689 -10.886 -6.495 3.786 1.00 43.45 N ATOM 0 H ASN A1689 -6.481 -8.472 4.379 1.00 53.41 H new ATOM 0 HA ASN A1689 -7.518 -6.796 3.464 1.00 60.43 H new ATOM 0 HB2 ASN A1689 -8.921 -6.653 6.054 1.00 21.12 H new ATOM 0 HB3 ASN A1689 -9.057 -5.279 4.974 1.00 21.12 H new ATOM 0 HD21 ASN A1689 -11.537 -6.948 3.145 1.00 43.45 H new ATOM 0 HD22 ASN A1689 -11.083 -5.557 4.134 1.00 43.45 H new ATOM 380 N VAL A1690 -5.253 -5.644 4.430 1.00 54.51 N ATOM 381 CA VAL A1690 -4.226 -4.672 4.395 1.00 13.32 C ATOM 382 C VAL A1690 -3.646 -4.645 3.001 1.00 53.30 C ATOM 383 O VAL A1690 -3.421 -5.693 2.395 1.00 1.23 O ATOM 384 CB VAL A1690 -3.111 -4.992 5.452 1.00 70.44 C ATOM 385 CG1 VAL A1690 -1.778 -4.387 5.065 1.00 21.24 C ATOM 386 CG2 VAL A1690 -3.495 -4.445 6.796 1.00 21.13 C ATOM 0 H VAL A1690 -4.911 -6.592 4.274 1.00 54.51 H new ATOM 0 HA VAL A1690 -4.638 -3.695 4.647 1.00 13.32 H new ATOM 0 HB VAL A1690 -3.015 -6.077 5.490 1.00 70.44 H new ATOM 0 HG11 VAL A1690 -1.034 -4.632 5.823 1.00 21.24 H new ATOM 0 HG12 VAL A1690 -1.462 -4.789 4.102 1.00 21.24 H new ATOM 0 HG13 VAL A1690 -1.878 -3.304 4.991 1.00 21.24 H new ATOM 0 HG21 VAL A1690 -2.712 -4.674 7.519 1.00 21.13 H new ATOM 0 HG22 VAL A1690 -3.620 -3.364 6.727 1.00 21.13 H new ATOM 0 HG23 VAL A1690 -4.432 -4.899 7.119 1.00 21.13 H new ATOM 396 N LEU A1691 -3.485 -3.475 2.487 1.00 21.43 N ATOM 397 CA LEU A1691 -2.826 -3.271 1.255 1.00 63.14 C ATOM 398 C LEU A1691 -1.683 -2.341 1.526 1.00 42.55 C ATOM 399 O LEU A1691 -1.872 -1.133 1.754 1.00 20.55 O ATOM 400 CB LEU A1691 -3.781 -2.707 0.198 1.00 42.14 C ATOM 401 CG LEU A1691 -3.158 -2.325 -1.146 1.00 15.11 C ATOM 402 CD1 LEU A1691 -2.406 -3.480 -1.766 1.00 24.42 C ATOM 403 CD2 LEU A1691 -4.218 -1.834 -2.096 1.00 33.32 C ATOM 0 H LEU A1691 -3.818 -2.617 2.926 1.00 21.43 H new ATOM 0 HA LEU A1691 -2.461 -4.214 0.849 1.00 63.14 H new ATOM 0 HB2 LEU A1691 -4.562 -3.445 0.015 1.00 42.14 H new ATOM 0 HB3 LEU A1691 -4.267 -1.824 0.613 1.00 42.14 H new ATOM 0 HG LEU A1691 -2.443 -1.524 -0.957 1.00 15.11 H new ATOM 0 HD11 LEU A1691 -1.979 -3.167 -2.719 1.00 24.42 H new ATOM 0 HD12 LEU A1691 -1.606 -3.795 -1.096 1.00 24.42 H new ATOM 0 HD13 LEU A1691 -3.090 -4.313 -1.931 1.00 24.42 H new ATOM 0 HD21 LEU A1691 -3.758 -1.566 -3.047 1.00 33.32 H new ATOM 0 HD22 LEU A1691 -4.955 -2.621 -2.258 1.00 33.32 H new ATOM 0 HD23 LEU A1691 -4.710 -0.959 -1.672 1.00 33.32 H new ATOM 415 N ASP A1692 -0.520 -2.893 1.578 1.00 35.33 N ATOM 416 CA ASP A1692 0.645 -2.122 1.883 1.00 52.23 C ATOM 417 C ASP A1692 1.434 -1.942 0.590 1.00 13.03 C ATOM 418 O ASP A1692 1.966 -2.910 0.052 1.00 21.52 O ATOM 419 CB ASP A1692 1.492 -2.828 2.954 1.00 10.21 C ATOM 420 CG ASP A1692 2.605 -1.956 3.522 1.00 11.25 C ATOM 421 OD1 ASP A1692 2.956 -0.931 2.914 1.00 21.11 O ATOM 422 OD2 ASP A1692 3.114 -2.266 4.642 1.00 43.32 O ATOM 0 H ASP A1692 -0.345 -3.884 1.412 1.00 35.33 H new ATOM 0 HA ASP A1692 0.365 -1.149 2.286 1.00 52.23 H new ATOM 0 HB2 ASP A1692 0.841 -3.148 3.768 1.00 10.21 H new ATOM 0 HB3 ASP A1692 1.931 -3.728 2.524 1.00 10.21 H new ATOM 427 N LEU A1693 1.464 -0.729 0.079 1.00 61.22 N ATOM 428 CA LEU A1693 2.089 -0.423 -1.210 1.00 22.14 C ATOM 429 C LEU A1693 2.926 0.838 -1.147 1.00 72.21 C ATOM 430 O LEU A1693 2.974 1.628 -2.092 1.00 63.44 O ATOM 431 CB LEU A1693 1.014 -0.355 -2.333 1.00 72.12 C ATOM 432 CG LEU A1693 -0.372 0.250 -2.003 1.00 22.43 C ATOM 433 CD1 LEU A1693 -0.298 1.701 -1.591 1.00 13.43 C ATOM 434 CD2 LEU A1693 -1.307 0.085 -3.185 1.00 75.21 C ATOM 0 H LEU A1693 1.056 0.083 0.541 1.00 61.22 H new ATOM 0 HA LEU A1693 2.776 -1.234 -1.453 1.00 22.14 H new ATOM 0 HB2 LEU A1693 1.436 0.217 -3.159 1.00 72.12 H new ATOM 0 HB3 LEU A1693 0.853 -1.370 -2.698 1.00 72.12 H new ATOM 0 HG LEU A1693 -0.762 -0.299 -1.146 1.00 22.43 H new ATOM 0 HD11 LEU A1693 -1.301 2.069 -1.373 1.00 13.43 H new ATOM 0 HD12 LEU A1693 0.325 1.795 -0.702 1.00 13.43 H new ATOM 0 HD13 LEU A1693 0.135 2.288 -2.401 1.00 13.43 H new ATOM 0 HD21 LEU A1693 -2.279 0.514 -2.942 1.00 75.21 H new ATOM 0 HD22 LEU A1693 -0.891 0.597 -4.052 1.00 75.21 H new ATOM 0 HD23 LEU A1693 -1.424 -0.975 -3.411 1.00 75.21 H new ATOM 446 N HIS A1694 3.634 0.995 -0.058 1.00 63.12 N ATOM 447 CA HIS A1694 4.457 2.164 0.126 1.00 31.42 C ATOM 448 C HIS A1694 5.685 2.135 -0.766 1.00 2.24 C ATOM 449 O HIS A1694 6.403 1.143 -0.813 1.00 22.31 O ATOM 450 CB HIS A1694 4.838 2.391 1.604 1.00 30.31 C ATOM 451 CG HIS A1694 5.659 1.325 2.279 1.00 10.34 C ATOM 452 ND1 HIS A1694 5.119 0.393 3.111 1.00 3.45 N ATOM 453 CD2 HIS A1694 6.987 1.129 2.320 1.00 23.53 C ATOM 454 CE1 HIS A1694 6.055 -0.320 3.658 1.00 61.51 C ATOM 455 NE2 HIS A1694 7.214 0.093 3.197 1.00 11.24 N ATOM 0 H HIS A1694 3.658 0.329 0.714 1.00 63.12 H new ATOM 0 HA HIS A1694 3.851 3.018 -0.177 1.00 31.42 H new ATOM 0 HB2 HIS A1694 5.386 3.331 1.670 1.00 30.31 H new ATOM 0 HB3 HIS A1694 3.917 2.518 2.174 1.00 30.31 H new ATOM 0 HD1 HIS A1694 4.120 0.272 3.280 1.00 3.45 H new ATOM 0 HD2 HIS A1694 7.735 1.680 1.769 1.00 23.53 H new ATOM 0 HE1 HIS A1694 5.907 -1.117 4.371 1.00 61.51 H new ATOM 464 N GLY A1695 5.902 3.221 -1.462 1.00 71.43 N ATOM 465 CA GLY A1695 7.042 3.337 -2.337 1.00 41.22 C ATOM 466 C GLY A1695 6.676 3.228 -3.806 1.00 72.10 C ATOM 467 O GLY A1695 7.514 3.464 -4.673 1.00 61.23 O ATOM 0 H GLY A1695 5.300 4.044 -1.440 1.00 71.43 H new ATOM 0 HA2 GLY A1695 7.532 4.294 -2.161 1.00 41.22 H new ATOM 0 HA3 GLY A1695 7.764 2.559 -2.089 1.00 41.22 H new ATOM 471 N LEU A1696 5.442 2.848 -4.085 1.00 44.35 N ATOM 472 CA LEU A1696 4.954 2.745 -5.462 1.00 4.21 C ATOM 473 C LEU A1696 4.650 4.111 -6.078 1.00 73.01 C ATOM 474 O LEU A1696 4.673 5.140 -5.406 1.00 51.42 O ATOM 475 CB LEU A1696 3.695 1.862 -5.560 1.00 22.54 C ATOM 476 CG LEU A1696 3.883 0.339 -5.621 1.00 72.31 C ATOM 477 CD1 LEU A1696 4.531 -0.217 -4.394 1.00 24.44 C ATOM 478 CD2 LEU A1696 2.566 -0.343 -5.896 1.00 2.12 C ATOM 0 H LEU A1696 4.751 2.603 -3.376 1.00 44.35 H new ATOM 0 HA LEU A1696 5.764 2.281 -6.024 1.00 4.21 H new ATOM 0 HB2 LEU A1696 3.063 2.086 -4.701 1.00 22.54 H new ATOM 0 HB3 LEU A1696 3.143 2.166 -6.449 1.00 22.54 H new ATOM 0 HG LEU A1696 4.566 0.135 -6.445 1.00 72.31 H new ATOM 0 HD11 LEU A1696 4.637 -1.297 -4.496 1.00 24.44 H new ATOM 0 HD12 LEU A1696 5.515 0.234 -4.266 1.00 24.44 H new ATOM 0 HD13 LEU A1696 3.914 0.006 -3.524 1.00 24.44 H new ATOM 0 HD21 LEU A1696 2.716 -1.422 -5.936 1.00 2.12 H new ATOM 0 HD22 LEU A1696 1.860 -0.104 -5.101 1.00 2.12 H new ATOM 0 HD23 LEU A1696 2.169 0.004 -6.850 1.00 2.12 H new ATOM 490 N HIS A1697 4.430 4.108 -7.376 1.00 60.52 N ATOM 491 CA HIS A1697 3.981 5.305 -8.103 1.00 1.33 C ATOM 492 C HIS A1697 2.526 5.557 -7.835 1.00 50.03 C ATOM 493 O HIS A1697 1.829 4.701 -7.288 1.00 53.52 O ATOM 494 CB HIS A1697 4.132 5.165 -9.634 1.00 42.11 C ATOM 495 CG HIS A1697 5.490 5.393 -10.202 1.00 10.10 C ATOM 496 ND1 HIS A1697 6.232 4.418 -10.819 1.00 12.21 N ATOM 497 CD2 HIS A1697 6.214 6.532 -10.298 1.00 51.45 C ATOM 498 CE1 HIS A1697 7.357 4.970 -11.267 1.00 1.22 C ATOM 499 NE2 HIS A1697 7.400 6.263 -10.976 1.00 11.32 N ATOM 0 H HIS A1697 4.553 3.285 -7.966 1.00 60.52 H new ATOM 0 HA HIS A1697 4.610 6.122 -7.750 1.00 1.33 H new ATOM 0 HB2 HIS A1697 3.811 4.162 -9.916 1.00 42.11 H new ATOM 0 HB3 HIS A1697 3.444 5.865 -10.108 1.00 42.11 H new ATOM 0 HD2 HIS A1697 5.919 7.496 -9.911 1.00 51.45 H new ATOM 0 HE1 HIS A1697 8.132 4.436 -11.797 1.00 1.22 H new ATOM 0 HE2 HIS A1697 8.145 6.922 -11.201 1.00 11.32 H new ATOM 507 N VAL A1698 2.064 6.708 -8.281 1.00 14.23 N ATOM 508 CA VAL A1698 0.665 7.083 -8.207 1.00 63.21 C ATOM 509 C VAL A1698 -0.145 6.080 -9.018 1.00 14.24 C ATOM 510 O VAL A1698 -1.120 5.517 -8.539 1.00 62.31 O ATOM 511 CB VAL A1698 0.455 8.522 -8.786 1.00 14.33 C ATOM 512 CG1 VAL A1698 -0.998 8.910 -8.852 1.00 21.42 C ATOM 513 CG2 VAL A1698 1.248 9.548 -7.996 1.00 24.41 C ATOM 0 H VAL A1698 2.657 7.418 -8.710 1.00 14.23 H new ATOM 0 HA VAL A1698 0.339 7.081 -7.167 1.00 63.21 H new ATOM 0 HB VAL A1698 0.829 8.505 -9.810 1.00 14.33 H new ATOM 0 HG11 VAL A1698 -1.088 9.917 -9.261 1.00 21.42 H new ATOM 0 HG12 VAL A1698 -1.533 8.209 -9.493 1.00 21.42 H new ATOM 0 HG13 VAL A1698 -1.427 8.886 -7.850 1.00 21.42 H new ATOM 0 HG21 VAL A1698 1.084 10.539 -8.419 1.00 24.41 H new ATOM 0 HG22 VAL A1698 0.921 9.539 -6.956 1.00 24.41 H new ATOM 0 HG23 VAL A1698 2.309 9.304 -8.045 1.00 24.41 H new ATOM 523 N ASP A1699 0.335 5.814 -10.217 1.00 60.45 N ATOM 524 CA ASP A1699 -0.329 4.897 -11.141 1.00 73.22 C ATOM 525 C ASP A1699 -0.336 3.496 -10.583 1.00 44.41 C ATOM 526 O ASP A1699 -1.382 2.866 -10.503 1.00 44.21 O ATOM 527 CB ASP A1699 0.371 4.862 -12.493 1.00 32.43 C ATOM 528 CG ASP A1699 0.510 6.202 -13.147 1.00 5.03 C ATOM 529 OD1 ASP A1699 -0.479 6.748 -13.646 1.00 51.43 O ATOM 530 OD2 ASP A1699 1.641 6.720 -13.202 1.00 5.31 O ATOM 0 H ASP A1699 1.194 6.223 -10.584 1.00 60.45 H new ATOM 0 HA ASP A1699 -1.348 5.261 -11.269 1.00 73.22 H new ATOM 0 HB2 ASP A1699 1.363 4.428 -12.365 1.00 32.43 H new ATOM 0 HB3 ASP A1699 -0.183 4.201 -13.159 1.00 32.43 H new ATOM 535 N GLU A1700 0.850 3.031 -10.175 1.00 62.53 N ATOM 536 CA GLU A1700 1.036 1.680 -9.634 1.00 64.11 C ATOM 537 C GLU A1700 0.130 1.449 -8.449 1.00 52.20 C ATOM 538 O GLU A1700 -0.652 0.501 -8.431 1.00 43.31 O ATOM 539 CB GLU A1700 2.492 1.459 -9.212 1.00 1.10 C ATOM 540 CG GLU A1700 3.483 1.531 -10.342 1.00 14.42 C ATOM 541 CD GLU A1700 4.927 1.427 -9.885 1.00 13.14 C ATOM 542 OE1 GLU A1700 5.357 2.245 -9.050 1.00 4.23 O ATOM 543 OE2 GLU A1700 5.662 0.588 -10.403 1.00 51.52 O ATOM 0 H GLU A1700 1.708 3.581 -10.211 1.00 62.53 H new ATOM 0 HA GLU A1700 0.782 0.970 -10.421 1.00 64.11 H new ATOM 0 HB2 GLU A1700 2.758 2.205 -8.463 1.00 1.10 H new ATOM 0 HB3 GLU A1700 2.575 0.483 -8.733 1.00 1.10 H new ATOM 0 HG2 GLU A1700 3.275 0.728 -11.050 1.00 14.42 H new ATOM 0 HG3 GLU A1700 3.346 2.471 -10.877 1.00 14.42 H new ATOM 550 N ALA A1701 0.208 2.338 -7.483 1.00 73.01 N ATOM 551 CA ALA A1701 -0.591 2.233 -6.297 1.00 22.42 C ATOM 552 C ALA A1701 -2.083 2.261 -6.598 1.00 12.41 C ATOM 553 O ALA A1701 -2.819 1.497 -6.023 1.00 73.12 O ATOM 554 CB ALA A1701 -0.223 3.294 -5.303 1.00 13.21 C ATOM 0 H ALA A1701 0.827 3.149 -7.504 1.00 73.01 H new ATOM 0 HA ALA A1701 -0.375 1.260 -5.856 1.00 22.42 H new ATOM 0 HB1 ALA A1701 -0.845 3.191 -4.414 1.00 13.21 H new ATOM 0 HB2 ALA A1701 0.826 3.186 -5.027 1.00 13.21 H new ATOM 0 HB3 ALA A1701 -0.383 4.278 -5.745 1.00 13.21 H new ATOM 560 N LEU A1702 -2.514 3.097 -7.545 1.00 63.32 N ATOM 561 CA LEU A1702 -3.940 3.190 -7.871 1.00 35.22 C ATOM 562 C LEU A1702 -4.416 1.925 -8.540 1.00 62.22 C ATOM 563 O LEU A1702 -5.505 1.436 -8.247 1.00 74.43 O ATOM 564 CB LEU A1702 -4.274 4.409 -8.748 1.00 40.31 C ATOM 565 CG LEU A1702 -4.140 5.789 -8.097 1.00 44.13 C ATOM 566 CD1 LEU A1702 -4.489 6.876 -9.097 1.00 54.13 C ATOM 567 CD2 LEU A1702 -5.035 5.897 -6.870 1.00 61.41 C ATOM 0 H LEU A1702 -1.909 3.710 -8.092 1.00 63.32 H new ATOM 0 HA LEU A1702 -4.466 3.321 -6.925 1.00 35.22 H new ATOM 0 HB2 LEU A1702 -3.627 4.383 -9.625 1.00 40.31 H new ATOM 0 HB3 LEU A1702 -5.298 4.300 -9.104 1.00 40.31 H new ATOM 0 HG LEU A1702 -3.105 5.919 -7.779 1.00 44.13 H new ATOM 0 HD11 LEU A1702 -4.390 7.852 -8.623 1.00 54.13 H new ATOM 0 HD12 LEU A1702 -3.813 6.817 -9.950 1.00 54.13 H new ATOM 0 HD13 LEU A1702 -5.515 6.741 -9.438 1.00 54.13 H new ATOM 0 HD21 LEU A1702 -4.923 6.885 -6.424 1.00 61.41 H new ATOM 0 HD22 LEU A1702 -6.074 5.746 -7.163 1.00 61.41 H new ATOM 0 HD23 LEU A1702 -4.749 5.137 -6.143 1.00 61.41 H new ATOM 579 N GLU A1703 -3.576 1.393 -9.405 1.00 43.24 N ATOM 580 CA GLU A1703 -3.808 0.189 -10.129 1.00 54.42 C ATOM 581 C GLU A1703 -4.049 -0.967 -9.150 1.00 21.54 C ATOM 582 O GLU A1703 -5.094 -1.636 -9.192 1.00 73.24 O ATOM 583 CB GLU A1703 -2.563 -0.003 -10.999 1.00 75.31 C ATOM 584 CG GLU A1703 -2.187 -1.398 -11.338 1.00 75.45 C ATOM 585 CD GLU A1703 -3.150 -2.101 -12.258 1.00 42.40 C ATOM 586 OE1 GLU A1703 -3.144 -1.803 -13.474 1.00 51.12 O ATOM 587 OE2 GLU A1703 -3.908 -2.971 -11.806 1.00 71.21 O ATOM 0 H GLU A1703 -2.675 1.819 -9.622 1.00 43.24 H new ATOM 0 HA GLU A1703 -4.698 0.225 -10.757 1.00 54.42 H new ATOM 0 HB2 GLU A1703 -2.713 0.543 -11.930 1.00 75.31 H new ATOM 0 HB3 GLU A1703 -1.719 0.461 -10.489 1.00 75.31 H new ATOM 0 HG2 GLU A1703 -1.201 -1.392 -11.802 1.00 75.45 H new ATOM 0 HG3 GLU A1703 -2.102 -1.972 -10.415 1.00 75.45 H new ATOM 594 N HIS A1704 -3.128 -1.137 -8.229 1.00 54.33 N ATOM 595 CA HIS A1704 -3.224 -2.194 -7.252 1.00 2.44 C ATOM 596 C HIS A1704 -4.372 -1.934 -6.266 1.00 42.13 C ATOM 597 O HIS A1704 -5.099 -2.850 -5.891 1.00 3.22 O ATOM 598 CB HIS A1704 -1.876 -2.402 -6.526 1.00 24.12 C ATOM 599 CG HIS A1704 -0.764 -2.913 -7.428 1.00 30.20 C ATOM 600 ND1 HIS A1704 -0.710 -4.199 -7.909 1.00 11.13 N ATOM 601 CD2 HIS A1704 0.338 -2.283 -7.947 1.00 44.24 C ATOM 602 CE1 HIS A1704 0.374 -4.316 -8.683 1.00 63.34 C ATOM 603 NE2 HIS A1704 1.048 -3.182 -8.742 1.00 31.33 N ATOM 0 H HIS A1704 -2.298 -0.551 -8.137 1.00 54.33 H new ATOM 0 HA HIS A1704 -3.455 -3.121 -7.777 1.00 2.44 H new ATOM 0 HB2 HIS A1704 -1.564 -1.457 -6.081 1.00 24.12 H new ATOM 0 HB3 HIS A1704 -2.020 -3.108 -5.708 1.00 24.12 H new ATOM 0 HD2 HIS A1704 0.612 -1.254 -7.768 1.00 44.24 H new ATOM 0 HE1 HIS A1704 0.662 -5.223 -9.195 1.00 63.34 H new ATOM 0 HE2 HIS A1704 1.908 -3.002 -9.260 1.00 31.33 H new ATOM 611 N LEU A1705 -4.569 -0.677 -5.918 1.00 41.42 N ATOM 612 CA LEU A1705 -5.603 -0.266 -4.973 1.00 33.50 C ATOM 613 C LEU A1705 -7.001 -0.558 -5.515 1.00 51.52 C ATOM 614 O LEU A1705 -7.813 -1.210 -4.843 1.00 3.53 O ATOM 615 CB LEU A1705 -5.400 1.248 -4.609 1.00 35.33 C ATOM 616 CG LEU A1705 -6.387 1.967 -3.649 1.00 44.23 C ATOM 617 CD1 LEU A1705 -7.694 2.275 -4.312 1.00 54.41 C ATOM 618 CD2 LEU A1705 -6.595 1.180 -2.368 1.00 72.15 C ATOM 0 H LEU A1705 -4.015 0.098 -6.283 1.00 41.42 H new ATOM 0 HA LEU A1705 -5.511 -0.850 -4.057 1.00 33.50 H new ATOM 0 HB2 LEU A1705 -4.404 1.344 -4.177 1.00 35.33 H new ATOM 0 HB3 LEU A1705 -5.397 1.806 -5.545 1.00 35.33 H new ATOM 0 HG LEU A1705 -5.928 2.919 -3.383 1.00 44.23 H new ATOM 0 HD11 LEU A1705 -8.352 2.777 -3.603 1.00 54.41 H new ATOM 0 HD12 LEU A1705 -7.522 2.924 -5.171 1.00 54.41 H new ATOM 0 HD13 LEU A1705 -8.160 1.348 -4.646 1.00 54.41 H new ATOM 0 HD21 LEU A1705 -7.291 1.714 -1.722 1.00 72.15 H new ATOM 0 HD22 LEU A1705 -7.002 0.198 -2.607 1.00 72.15 H new ATOM 0 HD23 LEU A1705 -5.641 1.062 -1.854 1.00 72.15 H new ATOM 630 N MET A1706 -7.268 -0.107 -6.736 1.00 14.10 N ATOM 631 CA MET A1706 -8.601 -0.219 -7.325 1.00 44.53 C ATOM 632 C MET A1706 -9.060 -1.657 -7.435 1.00 51.53 C ATOM 633 O MET A1706 -10.206 -1.973 -7.102 1.00 61.10 O ATOM 634 CB MET A1706 -8.698 0.502 -8.700 1.00 41.01 C ATOM 635 CG MET A1706 -7.853 -0.095 -9.828 1.00 3.32 C ATOM 636 SD MET A1706 -7.940 0.849 -11.371 1.00 73.13 S ATOM 637 CE MET A1706 -7.251 2.418 -10.841 1.00 24.21 C ATOM 0 H MET A1706 -6.578 0.341 -7.340 1.00 14.10 H new ATOM 0 HA MET A1706 -9.278 0.289 -6.639 1.00 44.53 H new ATOM 0 HB2 MET A1706 -9.741 0.503 -9.015 1.00 41.01 H new ATOM 0 HB3 MET A1706 -8.405 1.543 -8.564 1.00 41.01 H new ATOM 0 HG2 MET A1706 -6.814 -0.150 -9.503 1.00 3.32 H new ATOM 0 HG3 MET A1706 -8.183 -1.117 -10.017 1.00 3.32 H new ATOM 0 HE1 MET A1706 -7.154 3.081 -11.700 1.00 24.21 H new ATOM 0 HE2 MET A1706 -7.911 2.874 -10.103 1.00 24.21 H new ATOM 0 HE3 MET A1706 -6.269 2.253 -10.397 1.00 24.21 H new ATOM 647 N ARG A1707 -8.163 -2.524 -7.835 1.00 14.42 N ATOM 648 CA ARG A1707 -8.515 -3.901 -8.065 1.00 44.41 C ATOM 649 C ARG A1707 -8.671 -4.675 -6.757 1.00 24.21 C ATOM 650 O ARG A1707 -9.510 -5.565 -6.642 1.00 13.30 O ATOM 651 CB ARG A1707 -7.520 -4.554 -9.013 1.00 74.02 C ATOM 652 CG ARG A1707 -6.118 -4.740 -8.472 1.00 55.14 C ATOM 653 CD ARG A1707 -5.194 -5.155 -9.584 1.00 23.45 C ATOM 654 NE ARG A1707 -3.928 -5.686 -9.090 1.00 43.33 N ATOM 655 CZ ARG A1707 -2.879 -5.941 -9.882 1.00 53.11 C ATOM 656 NH1 ARG A1707 -2.714 -5.258 -11.017 1.00 25.22 N ATOM 657 NH2 ARG A1707 -1.934 -6.783 -9.487 1.00 65.14 N ATOM 0 H ARG A1707 -7.183 -2.299 -8.008 1.00 14.42 H new ATOM 0 HA ARG A1707 -9.492 -3.926 -8.547 1.00 44.41 H new ATOM 0 HB2 ARG A1707 -7.910 -5.530 -9.303 1.00 74.02 H new ATOM 0 HB3 ARG A1707 -7.462 -3.952 -9.920 1.00 74.02 H new ATOM 0 HG2 ARG A1707 -5.766 -3.812 -8.022 1.00 55.14 H new ATOM 0 HG3 ARG A1707 -6.119 -5.495 -7.686 1.00 55.14 H new ATOM 0 HD2 ARG A1707 -5.686 -5.909 -10.198 1.00 23.45 H new ATOM 0 HD3 ARG A1707 -4.998 -4.298 -10.228 1.00 23.45 H new ATOM 0 HE ARG A1707 -3.838 -5.872 -8.091 1.00 43.33 H new ATOM 0 HH11 ARG A1707 -3.388 -4.540 -11.283 1.00 25.22 H new ATOM 0 HH12 ARG A1707 -1.914 -5.454 -11.619 1.00 25.22 H new ATOM 0 HH21 ARG A1707 -2.005 -7.239 -8.577 1.00 65.14 H new ATOM 0 HH22 ARG A1707 -1.136 -6.975 -10.093 1.00 65.14 H new ATOM 671 N VAL A1708 -7.882 -4.331 -5.770 1.00 15.12 N ATOM 672 CA VAL A1708 -7.982 -4.986 -4.495 1.00 34.14 C ATOM 673 C VAL A1708 -9.233 -4.522 -3.726 1.00 54.31 C ATOM 674 O VAL A1708 -9.905 -5.332 -3.066 1.00 41.43 O ATOM 675 CB VAL A1708 -6.684 -4.849 -3.664 1.00 22.44 C ATOM 676 CG1 VAL A1708 -6.862 -5.421 -2.266 1.00 4.52 C ATOM 677 CG2 VAL A1708 -5.568 -5.596 -4.365 1.00 22.13 C ATOM 0 H VAL A1708 -7.168 -3.605 -5.826 1.00 15.12 H new ATOM 0 HA VAL A1708 -8.103 -6.053 -4.683 1.00 34.14 H new ATOM 0 HB VAL A1708 -6.442 -3.790 -3.575 1.00 22.44 H new ATOM 0 HG11 VAL A1708 -5.933 -5.310 -1.707 1.00 4.52 H new ATOM 0 HG12 VAL A1708 -7.661 -4.886 -1.753 1.00 4.52 H new ATOM 0 HG13 VAL A1708 -7.120 -6.478 -2.335 1.00 4.52 H new ATOM 0 HG21 VAL A1708 -4.649 -5.505 -3.786 1.00 22.13 H new ATOM 0 HG22 VAL A1708 -5.836 -6.649 -4.456 1.00 22.13 H new ATOM 0 HG23 VAL A1708 -5.415 -5.173 -5.358 1.00 22.13 H new ATOM 687 N LEU A1709 -9.569 -3.234 -3.838 1.00 74.54 N ATOM 688 CA LEU A1709 -10.789 -2.721 -3.209 1.00 24.21 C ATOM 689 C LEU A1709 -12.025 -3.413 -3.719 1.00 53.33 C ATOM 690 O LEU A1709 -12.859 -3.853 -2.924 1.00 62.04 O ATOM 691 CB LEU A1709 -10.961 -1.210 -3.374 1.00 2.34 C ATOM 692 CG LEU A1709 -10.303 -0.316 -2.324 1.00 62.23 C ATOM 693 CD1 LEU A1709 -10.515 1.120 -2.693 1.00 45.01 C ATOM 694 CD2 LEU A1709 -10.910 -0.563 -0.956 1.00 65.50 C ATOM 0 H LEU A1709 -9.025 -2.538 -4.348 1.00 74.54 H new ATOM 0 HA LEU A1709 -10.667 -2.937 -2.148 1.00 24.21 H new ATOM 0 HB2 LEU A1709 -10.568 -0.930 -4.351 1.00 2.34 H new ATOM 0 HB3 LEU A1709 -12.029 -0.990 -3.385 1.00 2.34 H new ATOM 0 HG LEU A1709 -9.238 -0.547 -2.289 1.00 62.23 H new ATOM 0 HD11 LEU A1709 -10.047 1.761 -1.946 1.00 45.01 H new ATOM 0 HD12 LEU A1709 -10.069 1.315 -3.668 1.00 45.01 H new ATOM 0 HD13 LEU A1709 -11.584 1.331 -2.734 1.00 45.01 H new ATOM 0 HD21 LEU A1709 -10.428 0.083 -0.222 1.00 65.50 H new ATOM 0 HD22 LEU A1709 -11.977 -0.344 -0.987 1.00 65.50 H new ATOM 0 HD23 LEU A1709 -10.761 -1.606 -0.675 1.00 65.50 H new ATOM 706 N GLU A1710 -12.136 -3.546 -5.030 1.00 31.14 N ATOM 707 CA GLU A1710 -13.322 -4.138 -5.616 1.00 14.31 C ATOM 708 C GLU A1710 -13.500 -5.586 -5.207 1.00 60.23 C ATOM 709 O GLU A1710 -14.620 -6.000 -4.862 1.00 24.21 O ATOM 710 CB GLU A1710 -13.358 -3.991 -7.131 1.00 53.54 C ATOM 711 CG GLU A1710 -12.161 -4.555 -7.848 1.00 63.32 C ATOM 712 CD GLU A1710 -12.312 -4.513 -9.329 1.00 32.41 C ATOM 713 OE1 GLU A1710 -12.379 -3.407 -9.896 1.00 62.04 O ATOM 714 OE2 GLU A1710 -12.404 -5.579 -9.945 1.00 30.10 O ATOM 0 H GLU A1710 -11.426 -3.255 -5.702 1.00 31.14 H new ATOM 0 HA GLU A1710 -14.166 -3.576 -5.216 1.00 14.31 H new ATOM 0 HB2 GLU A1710 -14.255 -4.482 -7.508 1.00 53.54 H new ATOM 0 HB3 GLU A1710 -13.446 -2.933 -7.377 1.00 53.54 H new ATOM 0 HG2 GLU A1710 -11.272 -3.994 -7.561 1.00 63.32 H new ATOM 0 HG3 GLU A1710 -12.004 -5.586 -7.531 1.00 63.32 H new ATOM 721 N LYS A1711 -12.402 -6.336 -5.188 1.00 15.51 N ATOM 722 CA LYS A1711 -12.470 -7.735 -4.839 1.00 15.15 C ATOM 723 C LYS A1711 -12.839 -7.891 -3.369 1.00 23.12 C ATOM 724 O LYS A1711 -13.686 -8.697 -3.030 1.00 70.11 O ATOM 725 CB LYS A1711 -11.172 -8.508 -5.196 1.00 45.43 C ATOM 726 CG LYS A1711 -9.958 -8.237 -4.302 1.00 64.41 C ATOM 727 CD LYS A1711 -8.705 -8.964 -4.795 1.00 64.41 C ATOM 728 CE LYS A1711 -8.889 -10.486 -4.860 1.00 53.51 C ATOM 729 NZ LYS A1711 -9.103 -11.109 -3.528 1.00 63.33 N ATOM 0 H LYS A1711 -11.467 -5.995 -5.409 1.00 15.51 H new ATOM 0 HA LYS A1711 -13.256 -8.187 -5.444 1.00 15.15 H new ATOM 0 HB2 LYS A1711 -11.389 -9.576 -5.165 1.00 45.43 H new ATOM 0 HB3 LYS A1711 -10.901 -8.267 -6.224 1.00 45.43 H new ATOM 0 HG2 LYS A1711 -9.765 -7.165 -4.269 1.00 64.41 H new ATOM 0 HG3 LYS A1711 -10.182 -8.552 -3.283 1.00 64.41 H new ATOM 0 HD2 LYS A1711 -8.440 -8.592 -5.785 1.00 64.41 H new ATOM 0 HD3 LYS A1711 -7.871 -8.731 -4.133 1.00 64.41 H new ATOM 0 HE2 LYS A1711 -9.740 -10.715 -5.502 1.00 53.51 H new ATOM 0 HE3 LYS A1711 -8.010 -10.932 -5.325 1.00 53.51 H new ATOM 0 HZ1 LYS A1711 -9.034 -12.143 -3.613 1.00 63.33 H new ATOM 0 HZ2 LYS A1711 -8.379 -10.767 -2.865 1.00 63.33 H new ATOM 0 HZ3 LYS A1711 -10.046 -10.853 -3.173 1.00 63.33 H new ATOM 743 N LYS A1712 -12.258 -7.059 -2.507 1.00 72.51 N ATOM 744 CA LYS A1712 -12.557 -7.141 -1.091 1.00 0.13 C ATOM 745 C LYS A1712 -13.924 -6.631 -0.754 1.00 13.45 C ATOM 746 O LYS A1712 -14.513 -7.077 0.214 1.00 3.32 O ATOM 747 CB LYS A1712 -11.477 -6.533 -0.211 1.00 75.33 C ATOM 748 CG LYS A1712 -10.265 -7.428 -0.106 1.00 22.43 C ATOM 749 CD LYS A1712 -9.168 -6.828 0.728 1.00 3.34 C ATOM 750 CE LYS A1712 -7.996 -7.787 0.844 1.00 5.35 C ATOM 751 NZ LYS A1712 -8.387 -9.076 1.473 1.00 15.15 N ATOM 0 H LYS A1712 -11.589 -6.334 -2.765 1.00 72.51 H new ATOM 0 HA LYS A1712 -12.562 -8.206 -0.860 1.00 0.13 H new ATOM 0 HB2 LYS A1712 -11.180 -5.566 -0.617 1.00 75.33 H new ATOM 0 HB3 LYS A1712 -11.881 -6.350 0.785 1.00 75.33 H new ATOM 0 HG2 LYS A1712 -10.561 -8.384 0.325 1.00 22.43 H new ATOM 0 HG3 LYS A1712 -9.883 -7.634 -1.106 1.00 22.43 H new ATOM 0 HD2 LYS A1712 -8.835 -5.891 0.281 1.00 3.34 H new ATOM 0 HD3 LYS A1712 -9.549 -6.589 1.721 1.00 3.34 H new ATOM 0 HE2 LYS A1712 -7.585 -7.978 -0.147 1.00 5.35 H new ATOM 0 HE3 LYS A1712 -7.205 -7.322 1.433 1.00 5.35 H new ATOM 0 HZ1 LYS A1712 -7.547 -9.530 1.884 1.00 15.15 H new ATOM 0 HZ2 LYS A1712 -9.086 -8.899 2.222 1.00 15.15 H new ATOM 0 HZ3 LYS A1712 -8.802 -9.702 0.753 1.00 15.15 H new ATOM 765 N THR A1713 -14.449 -5.712 -1.550 1.00 60.31 N ATOM 766 CA THR A1713 -15.819 -5.278 -1.353 1.00 5.32 C ATOM 767 C THR A1713 -16.737 -6.486 -1.602 1.00 11.44 C ATOM 768 O THR A1713 -17.681 -6.737 -0.850 1.00 23.20 O ATOM 769 CB THR A1713 -16.218 -4.118 -2.299 1.00 12.42 C ATOM 770 OG1 THR A1713 -15.275 -3.033 -2.182 1.00 41.40 O ATOM 771 CG2 THR A1713 -17.603 -3.596 -1.929 1.00 2.14 C ATOM 0 H THR A1713 -13.958 -5.262 -2.322 1.00 60.31 H new ATOM 0 HA THR A1713 -15.920 -4.901 -0.335 1.00 5.32 H new ATOM 0 HB THR A1713 -16.222 -4.496 -3.321 1.00 12.42 H new ATOM 0 HG1 THR A1713 -14.510 -3.199 -2.772 1.00 41.40 H new ATOM 0 HG21 THR A1713 -17.876 -2.781 -2.599 1.00 2.14 H new ATOM 0 HG22 THR A1713 -18.332 -4.401 -2.022 1.00 2.14 H new ATOM 0 HG23 THR A1713 -17.592 -3.233 -0.901 1.00 2.14 H new ATOM 779 N GLU A1714 -16.404 -7.254 -2.635 1.00 3.43 N ATOM 780 CA GLU A1714 -17.110 -8.474 -2.951 1.00 11.31 C ATOM 781 C GLU A1714 -16.944 -9.481 -1.830 1.00 2.45 C ATOM 782 O GLU A1714 -17.916 -9.962 -1.296 1.00 72.42 O ATOM 783 CB GLU A1714 -16.631 -9.077 -4.277 1.00 3.21 C ATOM 784 CG GLU A1714 -16.910 -8.210 -5.486 1.00 75.30 C ATOM 785 CD GLU A1714 -18.354 -7.815 -5.555 1.00 70.52 C ATOM 786 OE1 GLU A1714 -19.223 -8.703 -5.656 1.00 3.42 O ATOM 787 OE2 GLU A1714 -18.662 -6.618 -5.467 1.00 53.13 O ATOM 0 H GLU A1714 -15.636 -7.041 -3.272 1.00 3.43 H new ATOM 0 HA GLU A1714 -18.166 -8.227 -3.059 1.00 11.31 H new ATOM 0 HB2 GLU A1714 -15.558 -9.260 -4.214 1.00 3.21 H new ATOM 0 HB3 GLU A1714 -17.112 -10.045 -4.418 1.00 3.21 H new ATOM 0 HG2 GLU A1714 -16.288 -7.316 -5.445 1.00 75.30 H new ATOM 0 HG3 GLU A1714 -16.635 -8.748 -6.393 1.00 75.30 H new ATOM 794 N GLU A1715 -15.707 -9.747 -1.449 1.00 0.14 N ATOM 795 CA GLU A1715 -15.386 -10.688 -0.379 1.00 22.41 C ATOM 796 C GLU A1715 -16.104 -10.341 0.920 1.00 22.34 C ATOM 797 O GLU A1715 -16.568 -11.223 1.622 1.00 31.12 O ATOM 798 CB GLU A1715 -13.891 -10.740 -0.154 1.00 55.42 C ATOM 799 CG GLU A1715 -13.118 -11.275 -1.337 1.00 24.04 C ATOM 800 CD GLU A1715 -11.644 -11.152 -1.139 1.00 25.23 C ATOM 801 OE1 GLU A1715 -11.110 -11.787 -0.218 1.00 32.33 O ATOM 802 OE2 GLU A1715 -10.994 -10.395 -1.871 1.00 12.34 O ATOM 0 H GLU A1715 -14.887 -9.315 -1.874 1.00 0.14 H new ATOM 0 HA GLU A1715 -15.735 -11.671 -0.694 1.00 22.41 H new ATOM 0 HB2 GLU A1715 -13.532 -9.738 0.080 1.00 55.42 H new ATOM 0 HB3 GLU A1715 -13.685 -11.364 0.716 1.00 55.42 H new ATOM 0 HG2 GLU A1715 -13.377 -12.322 -1.497 1.00 24.04 H new ATOM 0 HG3 GLU A1715 -13.410 -10.733 -2.237 1.00 24.04 H new ATOM 809 N PHE A1716 -16.195 -9.074 1.207 1.00 71.23 N ATOM 810 CA PHE A1716 -16.904 -8.553 2.366 1.00 50.14 C ATOM 811 C PHE A1716 -18.378 -9.001 2.379 1.00 20.51 C ATOM 812 O PHE A1716 -18.829 -9.651 3.320 1.00 45.40 O ATOM 813 CB PHE A1716 -16.767 -7.016 2.368 1.00 25.41 C ATOM 814 CG PHE A1716 -17.707 -6.254 3.253 1.00 12.32 C ATOM 815 CD1 PHE A1716 -17.789 -6.505 4.607 1.00 0.04 C ATOM 816 CD2 PHE A1716 -18.515 -5.274 2.705 1.00 14.32 C ATOM 817 CE1 PHE A1716 -18.662 -5.790 5.400 1.00 22.53 C ATOM 818 CE2 PHE A1716 -19.382 -4.555 3.487 1.00 63.42 C ATOM 819 CZ PHE A1716 -19.459 -4.811 4.838 1.00 31.52 C ATOM 0 H PHE A1716 -15.770 -8.346 0.633 1.00 71.23 H new ATOM 0 HA PHE A1716 -16.463 -8.955 3.278 1.00 50.14 H new ATOM 0 HB2 PHE A1716 -15.747 -6.766 2.661 1.00 25.41 H new ATOM 0 HB3 PHE A1716 -16.901 -6.662 1.346 1.00 25.41 H new ATOM 0 HD1 PHE A1716 -17.165 -7.267 5.049 1.00 0.04 H new ATOM 0 HD2 PHE A1716 -18.462 -5.072 1.645 1.00 14.32 H new ATOM 0 HE1 PHE A1716 -18.723 -5.995 6.459 1.00 22.53 H new ATOM 0 HE2 PHE A1716 -20.003 -3.790 3.045 1.00 63.42 H new ATOM 0 HZ PHE A1716 -20.141 -4.247 5.457 1.00 31.52 H new ATOM 829 N LYS A1717 -19.087 -8.716 1.322 1.00 52.21 N ATOM 830 CA LYS A1717 -20.515 -9.015 1.261 1.00 61.32 C ATOM 831 C LYS A1717 -20.831 -10.455 0.814 1.00 23.32 C ATOM 832 O LYS A1717 -21.895 -10.987 1.131 1.00 42.13 O ATOM 833 CB LYS A1717 -21.244 -7.947 0.431 1.00 10.22 C ATOM 834 CG LYS A1717 -20.642 -7.691 -0.945 1.00 14.23 C ATOM 835 CD LYS A1717 -21.120 -6.359 -1.502 1.00 41.32 C ATOM 836 CE LYS A1717 -20.445 -6.020 -2.819 1.00 72.22 C ATOM 837 NZ LYS A1717 -20.824 -6.933 -3.906 1.00 51.31 N ATOM 0 H LYS A1717 -18.710 -8.276 0.483 1.00 52.21 H new ATOM 0 HA LYS A1717 -20.900 -8.970 2.280 1.00 61.32 H new ATOM 0 HB2 LYS A1717 -22.284 -8.249 0.307 1.00 10.22 H new ATOM 0 HB3 LYS A1717 -21.248 -7.012 0.991 1.00 10.22 H new ATOM 0 HG2 LYS A1717 -19.554 -7.693 -0.877 1.00 14.23 H new ATOM 0 HG3 LYS A1717 -20.921 -8.496 -1.625 1.00 14.23 H new ATOM 0 HD2 LYS A1717 -22.200 -6.392 -1.646 1.00 41.32 H new ATOM 0 HD3 LYS A1717 -20.919 -5.570 -0.778 1.00 41.32 H new ATOM 0 HE2 LYS A1717 -20.703 -4.999 -3.102 1.00 72.22 H new ATOM 0 HE3 LYS A1717 -19.364 -6.050 -2.686 1.00 72.22 H new ATOM 0 HZ1 LYS A1717 -20.308 -6.675 -4.772 1.00 51.31 H new ATOM 0 HZ2 LYS A1717 -20.585 -7.909 -3.638 1.00 51.31 H new ATOM 0 HZ3 LYS A1717 -21.847 -6.862 -4.079 1.00 51.31 H new ATOM 851 N GLN A1718 -19.907 -11.082 0.113 1.00 1.32 N ATOM 852 CA GLN A1718 -20.087 -12.459 -0.342 1.00 1.44 C ATOM 853 C GLN A1718 -19.588 -13.470 0.691 1.00 3.12 C ATOM 854 O GLN A1718 -20.339 -14.336 1.142 1.00 14.33 O ATOM 855 CB GLN A1718 -19.347 -12.712 -1.655 1.00 71.43 C ATOM 856 CG GLN A1718 -19.865 -11.953 -2.868 1.00 1.34 C ATOM 857 CD GLN A1718 -19.103 -12.332 -4.121 1.00 1.13 C ATOM 858 OE1 GLN A1718 -18.620 -13.454 -4.247 1.00 0.54 O ATOM 859 NE2 GLN A1718 -18.967 -11.421 -5.043 1.00 63.02 N ATOM 0 H GLN A1718 -19.018 -10.663 -0.158 1.00 1.32 H new ATOM 0 HA GLN A1718 -21.159 -12.592 -0.489 1.00 1.44 H new ATOM 0 HB2 GLN A1718 -18.297 -12.457 -1.513 1.00 71.43 H new ATOM 0 HB3 GLN A1718 -19.389 -13.779 -1.873 1.00 71.43 H new ATOM 0 HG2 GLN A1718 -20.925 -12.165 -3.007 1.00 1.34 H new ATOM 0 HG3 GLN A1718 -19.774 -10.881 -2.695 1.00 1.34 H new ATOM 0 HE21 GLN A1718 -19.379 -10.497 -4.912 1.00 63.02 H new ATOM 0 HE22 GLN A1718 -18.449 -11.632 -5.896 1.00 63.02 H new ATOM 868 N ASN A1719 -18.323 -13.355 1.071 1.00 22.31 N ATOM 869 CA ASN A1719 -17.702 -14.346 1.962 1.00 64.54 C ATOM 870 C ASN A1719 -17.800 -13.921 3.413 1.00 50.01 C ATOM 871 O ASN A1719 -18.081 -14.740 4.300 1.00 72.04 O ATOM 872 CB ASN A1719 -16.208 -14.593 1.600 1.00 24.44 C ATOM 873 CG ASN A1719 -15.986 -15.209 0.218 1.00 62.00 C ATOM 874 OD1 ASN A1719 -15.701 -14.389 -0.769 1.00 61.52 O flip ATOM 875 ND2 ASN A1719 -16.010 -16.425 0.061 1.00 0.01 N flip ATOM 0 H ASN A1719 -17.705 -12.596 0.784 1.00 22.31 H new ATOM 0 HA ASN A1719 -18.254 -15.276 1.823 1.00 64.54 H new ATOM 0 HB2 ASN A1719 -15.673 -13.645 1.652 1.00 24.44 H new ATOM 0 HB3 ASN A1719 -15.768 -15.249 2.352 1.00 24.44 H new ATOM 0 HD21 ASN A1719 -16.235 -17.036 0.846 1.00 0.01 H new ATOM 0 HD22 ASN A1719 -15.805 -16.825 -0.855 1.00 0.01 H new ATOM 882 N GLY A1720 -17.640 -12.650 3.648 1.00 64.23 N ATOM 883 CA GLY A1720 -17.657 -12.130 4.986 1.00 14.50 C ATOM 884 C GLY A1720 -16.286 -11.645 5.413 1.00 53.34 C ATOM 885 O GLY A1720 -15.875 -11.855 6.560 1.00 72.24 O ATOM 0 H GLY A1720 -17.495 -11.948 2.922 1.00 64.23 H new ATOM 0 HA2 GLY A1720 -18.370 -11.308 5.049 1.00 14.50 H new ATOM 0 HA3 GLY A1720 -18.001 -12.903 5.673 1.00 14.50 H new ATOM 889 N GLY A1721 -15.572 -11.014 4.489 1.00 51.15 N ATOM 890 CA GLY A1721 -14.258 -10.470 4.791 1.00 73.42 C ATOM 891 C GLY A1721 -14.370 -9.194 5.601 1.00 15.12 C ATOM 892 O GLY A1721 -15.486 -8.711 5.834 1.00 22.43 O ATOM 0 H GLY A1721 -15.881 -10.868 3.528 1.00 51.15 H new ATOM 0 HA2 GLY A1721 -13.675 -11.206 5.344 1.00 73.42 H new ATOM 0 HA3 GLY A1721 -13.722 -10.270 3.863 1.00 73.42 H new ATOM 896 N LYS A1722 -13.240 -8.643 6.031 1.00 61.14 N ATOM 897 CA LYS A1722 -13.250 -7.425 6.832 1.00 21.11 C ATOM 898 C LYS A1722 -13.907 -6.249 6.121 1.00 13.32 C ATOM 899 O LYS A1722 -13.647 -5.999 4.949 1.00 62.12 O ATOM 900 CB LYS A1722 -11.858 -7.009 7.346 1.00 30.11 C ATOM 901 CG LYS A1722 -11.431 -7.673 8.651 1.00 51.54 C ATOM 902 CD LYS A1722 -10.784 -9.034 8.492 1.00 64.04 C ATOM 903 CE LYS A1722 -9.294 -8.884 8.212 1.00 34.21 C ATOM 904 NZ LYS A1722 -8.574 -8.168 9.324 1.00 62.35 N ATOM 0 H LYS A1722 -12.311 -9.018 5.840 1.00 61.14 H new ATOM 0 HA LYS A1722 -13.858 -7.687 7.698 1.00 21.11 H new ATOM 0 HB2 LYS A1722 -11.119 -7.240 6.579 1.00 30.11 H new ATOM 0 HB3 LYS A1722 -11.846 -5.928 7.484 1.00 30.11 H new ATOM 0 HG2 LYS A1722 -10.733 -7.013 9.166 1.00 51.54 H new ATOM 0 HG3 LYS A1722 -12.306 -7.775 9.293 1.00 51.54 H new ATOM 0 HD2 LYS A1722 -10.933 -9.623 9.397 1.00 64.04 H new ATOM 0 HD3 LYS A1722 -11.261 -9.577 7.676 1.00 64.04 H new ATOM 0 HE2 LYS A1722 -8.852 -9.870 8.071 1.00 34.21 H new ATOM 0 HE3 LYS A1722 -9.155 -8.336 7.280 1.00 34.21 H new ATOM 0 HZ1 LYS A1722 -7.548 -8.208 9.156 1.00 62.35 H new ATOM 0 HZ2 LYS A1722 -8.882 -7.175 9.354 1.00 62.35 H new ATOM 0 HZ3 LYS A1722 -8.794 -8.626 10.231 1.00 62.35 H new ATOM 918 N PRO A1723 -14.750 -5.486 6.854 1.00 62.51 N ATOM 919 CA PRO A1723 -15.468 -4.304 6.322 1.00 34.22 C ATOM 920 C PRO A1723 -14.561 -3.080 6.155 1.00 10.34 C ATOM 921 O PRO A1723 -15.027 -1.936 6.165 1.00 1.32 O ATOM 922 CB PRO A1723 -16.508 -4.019 7.414 1.00 73.21 C ATOM 923 CG PRO A1723 -15.889 -4.523 8.665 1.00 5.02 C ATOM 924 CD PRO A1723 -15.100 -5.738 8.273 1.00 14.34 C ATOM 0 HA PRO A1723 -15.879 -4.496 5.331 1.00 34.22 H new ATOM 0 HB2 PRO A1723 -16.728 -2.954 7.483 1.00 73.21 H new ATOM 0 HB3 PRO A1723 -17.450 -4.527 7.206 1.00 73.21 H new ATOM 0 HG2 PRO A1723 -15.245 -3.767 9.114 1.00 5.02 H new ATOM 0 HG3 PRO A1723 -16.650 -4.773 9.404 1.00 5.02 H new ATOM 0 HD2 PRO A1723 -14.209 -5.854 8.891 1.00 14.34 H new ATOM 0 HD3 PRO A1723 -15.687 -6.650 8.385 1.00 14.34 H new ATOM 932 N TYR A1724 -13.298 -3.310 5.965 1.00 21.10 N ATOM 933 CA TYR A1724 -12.351 -2.260 5.837 1.00 62.11 C ATOM 934 C TYR A1724 -11.195 -2.756 5.040 1.00 63.34 C ATOM 935 O TYR A1724 -11.067 -3.959 4.808 1.00 10.21 O ATOM 936 CB TYR A1724 -11.855 -1.765 7.225 1.00 42.53 C ATOM 937 CG TYR A1724 -11.088 -2.787 8.047 1.00 71.22 C ATOM 938 CD1 TYR A1724 -9.731 -3.013 7.829 1.00 24.11 C ATOM 939 CD2 TYR A1724 -11.717 -3.523 9.030 1.00 13.21 C ATOM 940 CE1 TYR A1724 -9.039 -3.940 8.559 1.00 12.41 C ATOM 941 CE2 TYR A1724 -11.026 -4.456 9.767 1.00 4.51 C ATOM 942 CZ TYR A1724 -9.688 -4.658 9.526 1.00 4.32 C ATOM 943 OH TYR A1724 -9.005 -5.603 10.244 1.00 3.30 O ATOM 0 H TYR A1724 -12.897 -4.245 5.895 1.00 21.10 H new ATOM 0 HA TYR A1724 -12.829 -1.418 5.337 1.00 62.11 H new ATOM 0 HB2 TYR A1724 -11.218 -0.893 7.074 1.00 42.53 H new ATOM 0 HB3 TYR A1724 -12.718 -1.433 7.803 1.00 42.53 H new ATOM 0 HD1 TYR A1724 -9.215 -2.445 7.069 1.00 24.11 H new ATOM 0 HD2 TYR A1724 -12.768 -3.364 9.224 1.00 13.21 H new ATOM 0 HE1 TYR A1724 -7.988 -4.104 8.373 1.00 12.41 H new ATOM 0 HE2 TYR A1724 -11.532 -5.027 10.531 1.00 4.51 H new ATOM 0 HH TYR A1724 -9.610 -6.022 10.891 1.00 3.30 H new ATOM 953 N LEU A1725 -10.372 -1.858 4.634 1.00 63.32 N ATOM 954 CA LEU A1725 -9.158 -2.176 3.982 1.00 30.14 C ATOM 955 C LEU A1725 -8.154 -1.104 4.405 1.00 75.33 C ATOM 956 O LEU A1725 -8.416 0.087 4.269 1.00 24.21 O ATOM 957 CB LEU A1725 -9.369 -2.208 2.459 1.00 52.41 C ATOM 958 CG LEU A1725 -8.456 -3.152 1.655 1.00 11.32 C ATOM 959 CD1 LEU A1725 -8.848 -3.160 0.204 1.00 52.21 C ATOM 960 CD2 LEU A1725 -7.000 -2.787 1.792 1.00 31.43 C ATOM 0 H LEU A1725 -10.530 -0.857 4.750 1.00 63.32 H new ATOM 0 HA LEU A1725 -8.788 -3.164 4.258 1.00 30.14 H new ATOM 0 HB2 LEU A1725 -10.404 -2.488 2.265 1.00 52.41 H new ATOM 0 HB3 LEU A1725 -9.235 -1.197 2.075 1.00 52.41 H new ATOM 0 HG LEU A1725 -8.588 -4.151 2.069 1.00 11.32 H new ATOM 0 HD11 LEU A1725 -8.191 -3.833 -0.347 1.00 52.21 H new ATOM 0 HD12 LEU A1725 -9.879 -3.500 0.108 1.00 52.21 H new ATOM 0 HD13 LEU A1725 -8.759 -2.153 -0.203 1.00 52.21 H new ATOM 0 HD21 LEU A1725 -6.395 -3.480 1.208 1.00 31.43 H new ATOM 0 HD22 LEU A1725 -6.843 -1.772 1.427 1.00 31.43 H new ATOM 0 HD23 LEU A1725 -6.708 -2.845 2.840 1.00 31.43 H new ATOM 972 N SER A1726 -7.066 -1.520 4.980 1.00 32.04 N ATOM 973 CA SER A1726 -6.061 -0.605 5.455 1.00 3.04 C ATOM 974 C SER A1726 -4.997 -0.413 4.380 1.00 62.14 C ATOM 975 O SER A1726 -4.313 -1.359 4.006 1.00 53.11 O ATOM 976 CB SER A1726 -5.451 -1.166 6.731 1.00 12.12 C ATOM 977 OG SER A1726 -6.483 -1.509 7.651 1.00 53.12 O ATOM 0 H SER A1726 -6.846 -2.504 5.135 1.00 32.04 H new ATOM 0 HA SER A1726 -6.504 0.367 5.672 1.00 3.04 H new ATOM 0 HB2 SER A1726 -4.850 -2.046 6.501 1.00 12.12 H new ATOM 0 HB3 SER A1726 -4.782 -0.431 7.179 1.00 12.12 H new ATOM 0 HG SER A1726 -6.084 -1.871 8.470 1.00 53.12 H new ATOM 983 N VAL A1727 -4.886 0.786 3.874 1.00 71.21 N ATOM 984 CA VAL A1727 -3.948 1.091 2.820 1.00 4.32 C ATOM 985 C VAL A1727 -2.752 1.834 3.405 1.00 15.15 C ATOM 986 O VAL A1727 -2.904 2.884 4.036 1.00 35.51 O ATOM 987 CB VAL A1727 -4.606 1.967 1.714 1.00 0.55 C ATOM 988 CG1 VAL A1727 -3.654 2.191 0.543 1.00 54.21 C ATOM 989 CG2 VAL A1727 -5.915 1.350 1.234 1.00 32.05 C ATOM 0 H VAL A1727 -5.444 1.583 4.180 1.00 71.21 H new ATOM 0 HA VAL A1727 -3.626 0.153 2.369 1.00 4.32 H new ATOM 0 HB VAL A1727 -4.829 2.939 2.154 1.00 0.55 H new ATOM 0 HG11 VAL A1727 -4.144 2.806 -0.212 1.00 54.21 H new ATOM 0 HG12 VAL A1727 -2.755 2.697 0.896 1.00 54.21 H new ATOM 0 HG13 VAL A1727 -3.381 1.230 0.107 1.00 54.21 H new ATOM 0 HG21 VAL A1727 -6.354 1.982 0.462 1.00 32.05 H new ATOM 0 HG22 VAL A1727 -5.721 0.358 0.825 1.00 32.05 H new ATOM 0 HG23 VAL A1727 -6.607 1.268 2.072 1.00 32.05 H new ATOM 999 N ILE A1728 -1.589 1.282 3.238 1.00 4.44 N ATOM 1000 CA ILE A1728 -0.380 1.917 3.709 1.00 42.22 C ATOM 1001 C ILE A1728 0.298 2.567 2.524 1.00 22.54 C ATOM 1002 O ILE A1728 0.826 1.871 1.641 1.00 50.15 O ATOM 1003 CB ILE A1728 0.630 0.921 4.420 1.00 12.02 C ATOM 1004 CG1 ILE A1728 0.049 0.310 5.719 1.00 52.41 C ATOM 1005 CG2 ILE A1728 1.976 1.598 4.730 1.00 0.54 C ATOM 1006 CD1 ILE A1728 -1.066 -0.699 5.529 1.00 75.24 C ATOM 0 H ILE A1728 -1.443 0.385 2.775 1.00 4.44 H new ATOM 0 HA ILE A1728 -0.664 2.647 4.467 1.00 42.22 H new ATOM 0 HB ILE A1728 0.794 0.112 3.708 1.00 12.02 H new ATOM 0 HG12 ILE A1728 0.860 -0.171 6.267 1.00 52.41 H new ATOM 0 HG13 ILE A1728 -0.322 1.121 6.346 1.00 52.41 H new ATOM 0 HG21 ILE A1728 2.639 0.883 5.216 1.00 0.54 H new ATOM 0 HG22 ILE A1728 2.432 1.943 3.802 1.00 0.54 H new ATOM 0 HG23 ILE A1728 1.812 2.449 5.392 1.00 0.54 H new ATOM 0 HD11 ILE A1728 -1.398 -1.062 6.502 1.00 75.24 H new ATOM 0 HD12 ILE A1728 -1.902 -0.225 5.014 1.00 75.24 H new ATOM 0 HD13 ILE A1728 -0.701 -1.537 4.934 1.00 75.24 H new ATOM 1018 N THR A1729 0.237 3.878 2.463 1.00 22.11 N ATOM 1019 CA THR A1729 0.877 4.591 1.402 1.00 31.31 C ATOM 1020 C THR A1729 2.316 4.857 1.804 1.00 3.33 C ATOM 1021 O THR A1729 3.189 5.051 0.953 1.00 10.42 O ATOM 1022 CB THR A1729 0.129 5.916 1.054 1.00 44.32 C ATOM 1023 OG1 THR A1729 0.196 6.853 2.138 1.00 25.50 O ATOM 1024 CG2 THR A1729 -1.338 5.620 0.763 1.00 33.33 C ATOM 0 H THR A1729 -0.251 4.464 3.140 1.00 22.11 H new ATOM 0 HA THR A1729 0.852 3.984 0.497 1.00 31.31 H new ATOM 0 HB THR A1729 0.614 6.349 0.179 1.00 44.32 H new ATOM 0 HG1 THR A1729 0.117 6.374 2.989 1.00 25.50 H new ATOM 0 HG21 THR A1729 -1.855 6.548 0.521 1.00 33.33 H new ATOM 0 HG22 THR A1729 -1.410 4.933 -0.081 1.00 33.33 H new ATOM 0 HG23 THR A1729 -1.799 5.166 1.641 1.00 33.33 H new ATOM 1169 N ARG A1741 3.271 10.397 -2.989 1.00 71.24 N ATOM 1170 CA ARG A1741 2.186 10.953 -3.816 1.00 74.03 C ATOM 1171 C ARG A1741 1.055 9.954 -3.977 1.00 42.24 C ATOM 1172 O ARG A1741 0.040 10.240 -4.596 1.00 52.14 O ATOM 1173 CB ARG A1741 2.713 11.374 -5.181 1.00 1.00 C ATOM 1174 CG ARG A1741 3.713 12.508 -5.128 1.00 64.13 C ATOM 1175 CD ARG A1741 3.082 13.808 -4.676 1.00 24.14 C ATOM 1176 NE ARG A1741 4.052 14.908 -4.702 1.00 12.34 N ATOM 1177 CZ ARG A1741 3.946 16.053 -4.007 1.00 42.13 C ATOM 1178 NH1 ARG A1741 2.994 16.201 -3.095 1.00 51.04 N ATOM 1179 NH2 ARG A1741 4.841 17.018 -4.187 1.00 35.11 N ATOM 0 HA ARG A1741 1.795 11.833 -3.305 1.00 74.03 H new ATOM 0 HB2 ARG A1741 3.179 10.514 -5.661 1.00 1.00 H new ATOM 0 HB3 ARG A1741 1.873 11.672 -5.808 1.00 1.00 H new ATOM 0 HG2 ARG A1741 4.523 12.244 -4.448 1.00 64.13 H new ATOM 0 HG3 ARG A1741 4.156 12.645 -6.114 1.00 64.13 H new ATOM 0 HD2 ARG A1741 2.238 14.049 -5.322 1.00 24.14 H new ATOM 0 HD3 ARG A1741 2.688 13.692 -3.667 1.00 24.14 H new ATOM 0 HE ARG A1741 4.874 14.794 -5.296 1.00 12.34 H new ATOM 0 HH11 ARG A1741 2.336 15.442 -2.917 1.00 51.04 H new ATOM 0 HH12 ARG A1741 2.920 17.073 -2.572 1.00 51.04 H new ATOM 0 HH21 ARG A1741 5.605 16.888 -4.851 1.00 35.11 H new ATOM 0 HH22 ARG A1741 4.765 17.889 -3.662 1.00 35.11 H new ATOM 1193 N ILE A1742 1.255 8.803 -3.409 1.00 43.34 N ATOM 1194 CA ILE A1742 0.281 7.759 -3.366 1.00 44.05 C ATOM 1195 C ILE A1742 -0.913 8.217 -2.550 1.00 43.31 C ATOM 1196 O ILE A1742 -2.038 8.096 -2.989 1.00 54.12 O ATOM 1197 CB ILE A1742 0.884 6.504 -2.714 1.00 24.04 C ATOM 1198 CG1 ILE A1742 2.110 6.030 -3.490 1.00 72.32 C ATOM 1199 CG2 ILE A1742 -0.151 5.398 -2.609 1.00 3.55 C ATOM 1200 CD1 ILE A1742 2.835 4.877 -2.837 1.00 23.14 C ATOM 0 H ILE A1742 2.131 8.559 -2.948 1.00 43.34 H new ATOM 0 HA ILE A1742 -0.032 7.523 -4.383 1.00 44.05 H new ATOM 0 HB ILE A1742 1.201 6.764 -1.704 1.00 24.04 H new ATOM 0 HG12 ILE A1742 1.802 5.733 -4.492 1.00 72.32 H new ATOM 0 HG13 ILE A1742 2.802 6.865 -3.604 1.00 72.32 H new ATOM 0 HG21 ILE A1742 0.300 4.521 -2.145 1.00 3.55 H new ATOM 0 HG22 ILE A1742 -0.989 5.740 -2.001 1.00 3.55 H new ATOM 0 HG23 ILE A1742 -0.508 5.138 -3.606 1.00 3.55 H new ATOM 0 HD11 ILE A1742 3.694 4.596 -3.446 1.00 23.14 H new ATOM 0 HD12 ILE A1742 3.175 5.176 -1.845 1.00 23.14 H new ATOM 0 HD13 ILE A1742 2.160 4.026 -2.748 1.00 23.14 H new ATOM 1212 N LYS A1743 -0.644 8.813 -1.392 1.00 2.11 N ATOM 1213 CA LYS A1743 -1.700 9.228 -0.488 1.00 73.14 C ATOM 1214 C LYS A1743 -2.665 10.236 -1.152 1.00 3.32 C ATOM 1215 O LYS A1743 -3.860 9.956 -1.227 1.00 35.41 O ATOM 1216 CB LYS A1743 -1.143 9.763 0.838 1.00 4.22 C ATOM 1217 CG LYS A1743 -2.217 10.247 1.783 1.00 10.32 C ATOM 1218 CD LYS A1743 -1.630 10.930 2.988 1.00 73.34 C ATOM 1219 CE LYS A1743 -2.724 11.550 3.832 1.00 30.03 C ATOM 1220 NZ LYS A1743 -2.177 12.285 4.976 1.00 20.50 N ATOM 0 H LYS A1743 0.299 9.017 -1.062 1.00 2.11 H new ATOM 0 HA LYS A1743 -2.282 8.337 -0.253 1.00 73.14 H new ATOM 0 HB2 LYS A1743 -0.566 8.977 1.326 1.00 4.22 H new ATOM 0 HB3 LYS A1743 -0.454 10.582 0.631 1.00 4.22 H new ATOM 0 HG2 LYS A1743 -2.879 10.937 1.259 1.00 10.32 H new ATOM 0 HG3 LYS A1743 -2.827 9.403 2.104 1.00 10.32 H new ATOM 0 HD2 LYS A1743 -1.067 10.211 3.583 1.00 73.34 H new ATOM 0 HD3 LYS A1743 -0.927 11.700 2.670 1.00 73.34 H new ATOM 0 HE2 LYS A1743 -3.319 12.225 3.217 1.00 30.03 H new ATOM 0 HE3 LYS A1743 -3.395 10.769 4.189 1.00 30.03 H new ATOM 0 HZ1 LYS A1743 -2.957 12.652 5.558 1.00 20.50 H new ATOM 0 HZ2 LYS A1743 -1.588 11.647 5.549 1.00 20.50 H new ATOM 0 HZ3 LYS A1743 -1.597 13.078 4.634 1.00 20.50 H new ATOM 1234 N PRO A1744 -2.168 11.413 -1.674 1.00 60.13 N ATOM 1235 CA PRO A1744 -3.027 12.395 -2.351 1.00 21.12 C ATOM 1236 C PRO A1744 -3.834 11.787 -3.512 1.00 74.51 C ATOM 1237 O PRO A1744 -4.989 12.178 -3.756 1.00 64.24 O ATOM 1238 CB PRO A1744 -2.035 13.456 -2.885 1.00 43.21 C ATOM 1239 CG PRO A1744 -0.694 12.808 -2.794 1.00 53.34 C ATOM 1240 CD PRO A1744 -0.775 11.911 -1.606 1.00 21.33 C ATOM 0 HA PRO A1744 -3.776 12.798 -1.669 1.00 21.12 H new ATOM 0 HB2 PRO A1744 -2.270 13.735 -3.912 1.00 43.21 H new ATOM 0 HB3 PRO A1744 -2.074 14.368 -2.290 1.00 43.21 H new ATOM 0 HG2 PRO A1744 -0.467 12.244 -3.699 1.00 53.34 H new ATOM 0 HG3 PRO A1744 0.095 13.550 -2.674 1.00 53.34 H new ATOM 0 HD2 PRO A1744 -0.051 11.098 -1.661 1.00 21.33 H new ATOM 0 HD3 PRO A1744 -0.581 12.449 -0.678 1.00 21.33 H new ATOM 1248 N ALA A1745 -3.237 10.815 -4.188 1.00 52.53 N ATOM 1249 CA ALA A1745 -3.850 10.175 -5.329 1.00 14.15 C ATOM 1250 C ALA A1745 -4.932 9.203 -4.888 1.00 73.00 C ATOM 1251 O ALA A1745 -6.059 9.226 -5.401 1.00 50.14 O ATOM 1252 CB ALA A1745 -2.795 9.454 -6.122 1.00 40.43 C ATOM 0 H ALA A1745 -2.313 10.452 -3.955 1.00 52.53 H new ATOM 0 HA ALA A1745 -4.317 10.938 -5.952 1.00 14.15 H new ATOM 0 HB1 ALA A1745 -3.255 8.970 -6.984 1.00 40.43 H new ATOM 0 HB2 ALA A1745 -2.045 10.168 -6.464 1.00 40.43 H new ATOM 0 HB3 ALA A1745 -2.319 8.701 -5.494 1.00 40.43 H new ATOM 1258 N VAL A1746 -4.591 8.368 -3.925 1.00 73.33 N ATOM 1259 CA VAL A1746 -5.503 7.383 -3.386 1.00 64.10 C ATOM 1260 C VAL A1746 -6.717 8.057 -2.758 1.00 71.32 C ATOM 1261 O VAL A1746 -7.839 7.660 -3.032 1.00 32.23 O ATOM 1262 CB VAL A1746 -4.781 6.400 -2.397 1.00 12.50 C ATOM 1263 CG1 VAL A1746 -5.757 5.497 -1.672 1.00 54.43 C ATOM 1264 CG2 VAL A1746 -3.809 5.533 -3.166 1.00 61.24 C ATOM 0 H VAL A1746 -3.667 8.356 -3.493 1.00 73.33 H new ATOM 0 HA VAL A1746 -5.865 6.770 -4.211 1.00 64.10 H new ATOM 0 HB VAL A1746 -4.263 7.010 -1.657 1.00 12.50 H new ATOM 0 HG11 VAL A1746 -5.210 4.836 -1.000 1.00 54.43 H new ATOM 0 HG12 VAL A1746 -6.455 6.104 -1.095 1.00 54.43 H new ATOM 0 HG13 VAL A1746 -6.309 4.900 -2.398 1.00 54.43 H new ATOM 0 HG21 VAL A1746 -3.308 4.851 -2.479 1.00 61.24 H new ATOM 0 HG22 VAL A1746 -4.350 4.959 -3.918 1.00 61.24 H new ATOM 0 HG23 VAL A1746 -3.067 6.164 -3.656 1.00 61.24 H new ATOM 1274 N ILE A1747 -6.491 9.129 -1.999 1.00 22.12 N ATOM 1275 CA ILE A1747 -7.584 9.890 -1.375 1.00 22.20 C ATOM 1276 C ILE A1747 -8.626 10.322 -2.425 1.00 41.45 C ATOM 1277 O ILE A1747 -9.839 10.166 -2.220 1.00 11.23 O ATOM 1278 CB ILE A1747 -7.051 11.144 -0.610 1.00 32.40 C ATOM 1279 CG1 ILE A1747 -6.210 10.716 0.600 1.00 11.42 C ATOM 1280 CG2 ILE A1747 -8.198 12.040 -0.166 1.00 64.31 C ATOM 1281 CD1 ILE A1747 -5.623 11.873 1.389 1.00 22.13 C ATOM 0 H ILE A1747 -5.560 9.494 -1.798 1.00 22.12 H new ATOM 0 HA ILE A1747 -8.062 9.228 -0.653 1.00 22.20 H new ATOM 0 HB ILE A1747 -6.419 11.713 -1.292 1.00 32.40 H new ATOM 0 HG12 ILE A1747 -6.830 10.115 1.265 1.00 11.42 H new ATOM 0 HG13 ILE A1747 -5.398 10.076 0.256 1.00 11.42 H new ATOM 0 HG21 ILE A1747 -7.800 12.905 0.364 1.00 64.31 H new ATOM 0 HG22 ILE A1747 -8.757 12.375 -1.040 1.00 64.31 H new ATOM 0 HG23 ILE A1747 -8.860 11.482 0.496 1.00 64.31 H new ATOM 0 HD11 ILE A1747 -5.043 11.485 2.227 1.00 22.13 H new ATOM 0 HD12 ILE A1747 -4.975 12.463 0.741 1.00 22.13 H new ATOM 0 HD13 ILE A1747 -6.429 12.502 1.766 1.00 22.13 H new ATOM 1293 N LYS A1748 -8.135 10.779 -3.566 1.00 74.15 N ATOM 1294 CA LYS A1748 -8.936 11.239 -4.646 1.00 2.52 C ATOM 1295 C LYS A1748 -9.747 10.078 -5.261 1.00 23.31 C ATOM 1296 O LYS A1748 -10.882 10.265 -5.707 1.00 70.21 O ATOM 1297 CB LYS A1748 -7.983 11.900 -5.642 1.00 10.42 C ATOM 1298 CG LYS A1748 -8.113 11.439 -7.065 1.00 73.22 C ATOM 1299 CD LYS A1748 -7.001 12.000 -7.919 1.00 12.35 C ATOM 1300 CE LYS A1748 -7.052 11.444 -9.325 1.00 10.51 C ATOM 1301 NZ LYS A1748 -5.963 11.974 -10.165 1.00 12.12 N ATOM 0 H LYS A1748 -7.134 10.834 -3.754 1.00 74.15 H new ATOM 0 HA LYS A1748 -9.682 11.964 -4.319 1.00 2.52 H new ATOM 0 HB2 LYS A1748 -8.144 12.978 -5.611 1.00 10.42 H new ATOM 0 HB3 LYS A1748 -6.960 11.721 -5.313 1.00 10.42 H new ATOM 0 HG2 LYS A1748 -8.091 10.350 -7.102 1.00 73.22 H new ATOM 0 HG3 LYS A1748 -9.077 11.752 -7.466 1.00 73.22 H new ATOM 0 HD2 LYS A1748 -7.079 13.087 -7.953 1.00 12.35 H new ATOM 0 HD3 LYS A1748 -6.038 11.763 -7.467 1.00 12.35 H new ATOM 0 HE2 LYS A1748 -6.986 10.357 -9.288 1.00 10.51 H new ATOM 0 HE3 LYS A1748 -8.012 11.690 -9.778 1.00 10.51 H new ATOM 0 HZ1 LYS A1748 -6.033 11.569 -11.120 1.00 12.12 H new ATOM 0 HZ2 LYS A1748 -6.041 13.010 -10.221 1.00 12.12 H new ATOM 0 HZ3 LYS A1748 -5.046 11.718 -9.747 1.00 12.12 H new ATOM 1315 N TYR A1749 -9.182 8.888 -5.235 1.00 40.04 N ATOM 1316 CA TYR A1749 -9.851 7.714 -5.755 1.00 20.31 C ATOM 1317 C TYR A1749 -11.052 7.357 -4.879 1.00 31.41 C ATOM 1318 O TYR A1749 -12.167 7.115 -5.383 1.00 2.13 O ATOM 1319 CB TYR A1749 -8.868 6.510 -5.859 1.00 34.43 C ATOM 1320 CG TYR A1749 -9.544 5.178 -6.178 1.00 12.22 C ATOM 1321 CD1 TYR A1749 -10.137 4.441 -5.166 1.00 53.41 C ATOM 1322 CD2 TYR A1749 -9.617 4.682 -7.471 1.00 10.51 C ATOM 1323 CE1 TYR A1749 -10.775 3.266 -5.404 1.00 13.41 C ATOM 1324 CE2 TYR A1749 -10.273 3.488 -7.733 1.00 41.24 C ATOM 1325 CZ TYR A1749 -10.854 2.781 -6.689 1.00 70.13 C ATOM 1326 OH TYR A1749 -11.539 1.604 -6.941 1.00 42.01 O ATOM 0 H TYR A1749 -8.252 8.708 -4.855 1.00 40.04 H new ATOM 0 HA TYR A1749 -10.208 7.941 -6.760 1.00 20.31 H new ATOM 0 HB2 TYR A1749 -8.129 6.724 -6.631 1.00 34.43 H new ATOM 0 HB3 TYR A1749 -8.327 6.414 -4.918 1.00 34.43 H new ATOM 0 HD1 TYR A1749 -10.090 4.813 -4.153 1.00 53.41 H new ATOM 0 HD2 TYR A1749 -9.159 5.230 -8.281 1.00 10.51 H new ATOM 0 HE1 TYR A1749 -11.218 2.715 -4.588 1.00 13.41 H new ATOM 0 HE2 TYR A1749 -10.331 3.111 -8.743 1.00 41.24 H new ATOM 0 HH TYR A1749 -11.501 1.402 -7.899 1.00 42.01 H new ATOM 1336 N LEU A1750 -10.822 7.304 -3.583 1.00 14.52 N ATOM 1337 CA LEU A1750 -11.854 6.913 -2.626 1.00 61.52 C ATOM 1338 C LEU A1750 -13.041 7.858 -2.646 1.00 25.32 C ATOM 1339 O LEU A1750 -14.194 7.417 -2.729 1.00 45.32 O ATOM 1340 CB LEU A1750 -11.302 6.790 -1.197 1.00 73.10 C ATOM 1341 CG LEU A1750 -10.460 5.554 -0.823 1.00 11.04 C ATOM 1342 CD1 LEU A1750 -11.161 4.269 -1.125 1.00 35.25 C ATOM 1343 CD2 LEU A1750 -9.118 5.553 -1.443 1.00 1.21 C ATOM 0 H LEU A1750 -9.922 7.528 -3.158 1.00 14.52 H new ATOM 0 HA LEU A1750 -12.198 5.929 -2.944 1.00 61.52 H new ATOM 0 HB2 LEU A1750 -10.694 7.673 -1.003 1.00 73.10 H new ATOM 0 HB3 LEU A1750 -12.149 6.830 -0.513 1.00 73.10 H new ATOM 0 HG LEU A1750 -10.326 5.627 0.256 1.00 11.04 H new ATOM 0 HD11 LEU A1750 -10.523 3.431 -0.842 1.00 35.25 H new ATOM 0 HD12 LEU A1750 -12.093 4.222 -0.562 1.00 35.25 H new ATOM 0 HD13 LEU A1750 -11.379 4.215 -2.192 1.00 35.25 H new ATOM 0 HD21 LEU A1750 -8.578 4.657 -1.139 1.00 1.21 H new ATOM 0 HD22 LEU A1750 -9.219 5.566 -2.528 1.00 1.21 H new ATOM 0 HD23 LEU A1750 -8.567 6.436 -1.119 1.00 1.21 H new ATOM 1355 N ILE A1751 -12.765 9.145 -2.612 1.00 23.00 N ATOM 1356 CA ILE A1751 -13.825 10.165 -2.594 1.00 4.50 C ATOM 1357 C ILE A1751 -14.657 10.149 -3.866 1.00 2.41 C ATOM 1358 O ILE A1751 -15.863 10.361 -3.836 1.00 72.41 O ATOM 1359 CB ILE A1751 -13.268 11.587 -2.324 1.00 24.24 C ATOM 1360 CG1 ILE A1751 -12.197 11.989 -3.343 1.00 42.35 C ATOM 1361 CG2 ILE A1751 -12.733 11.687 -0.922 1.00 63.11 C ATOM 1362 CD1 ILE A1751 -12.687 12.908 -4.444 1.00 45.51 C ATOM 0 H ILE A1751 -11.818 9.523 -2.596 1.00 23.00 H new ATOM 0 HA ILE A1751 -14.480 9.903 -1.763 1.00 4.50 H new ATOM 0 HB ILE A1751 -14.096 12.287 -2.435 1.00 24.24 H new ATOM 0 HG12 ILE A1751 -11.379 12.479 -2.816 1.00 42.35 H new ATOM 0 HG13 ILE A1751 -11.788 11.086 -3.796 1.00 42.35 H new ATOM 0 HG21 ILE A1751 -12.346 12.692 -0.751 1.00 63.11 H new ATOM 0 HG22 ILE A1751 -13.533 11.480 -0.212 1.00 63.11 H new ATOM 0 HG23 ILE A1751 -11.931 10.962 -0.786 1.00 63.11 H new ATOM 0 HD11 ILE A1751 -11.863 13.140 -5.118 1.00 45.51 H new ATOM 0 HD12 ILE A1751 -13.484 12.416 -5.001 1.00 45.51 H new ATOM 0 HD13 ILE A1751 -13.068 13.830 -4.005 1.00 45.51 H new ATOM 1374 N SER A1752 -14.016 9.841 -4.966 1.00 61.13 N ATOM 1375 CA SER A1752 -14.675 9.791 -6.248 1.00 20.22 C ATOM 1376 C SER A1752 -15.645 8.604 -6.353 1.00 54.34 C ATOM 1377 O SER A1752 -16.563 8.606 -7.172 1.00 2.13 O ATOM 1378 CB SER A1752 -13.625 9.733 -7.334 1.00 4.32 C ATOM 1379 OG SER A1752 -12.860 10.928 -7.358 1.00 73.42 O ATOM 0 H SER A1752 -13.021 9.618 -4.998 1.00 61.13 H new ATOM 0 HA SER A1752 -15.278 10.691 -6.366 1.00 20.22 H new ATOM 0 HB2 SER A1752 -12.969 8.879 -7.167 1.00 4.32 H new ATOM 0 HB3 SER A1752 -14.104 9.583 -8.302 1.00 4.32 H new ATOM 0 HG SER A1752 -11.983 10.763 -6.952 1.00 73.42 H new ATOM 1385 N HIS A1753 -15.448 7.605 -5.521 1.00 61.04 N ATOM 1386 CA HIS A1753 -16.297 6.427 -5.525 1.00 4.15 C ATOM 1387 C HIS A1753 -17.159 6.379 -4.282 1.00 55.02 C ATOM 1388 O HIS A1753 -17.819 5.374 -4.011 1.00 42.24 O ATOM 1389 CB HIS A1753 -15.450 5.171 -5.636 1.00 73.11 C ATOM 1390 CG HIS A1753 -14.728 5.064 -6.940 1.00 24.32 C ATOM 1391 ND1 HIS A1753 -13.408 5.386 -7.111 1.00 1.05 N ATOM 1392 CD2 HIS A1753 -15.161 4.663 -8.139 1.00 43.43 C ATOM 1393 CE1 HIS A1753 -13.073 5.170 -8.362 1.00 71.22 C ATOM 1394 NE2 HIS A1753 -14.115 4.735 -9.003 1.00 25.41 N ATOM 0 H HIS A1753 -14.701 7.583 -4.826 1.00 61.04 H new ATOM 0 HA HIS A1753 -16.957 6.482 -6.391 1.00 4.15 H new ATOM 0 HB2 HIS A1753 -14.724 5.157 -4.823 1.00 73.11 H new ATOM 0 HB3 HIS A1753 -16.089 4.297 -5.508 1.00 73.11 H new ATOM 0 HD1 HIS A1753 -12.785 5.737 -6.384 1.00 1.05 H new ATOM 0 HD2 HIS A1753 -16.163 4.340 -8.378 1.00 43.43 H new ATOM 0 HE1 HIS A1753 -12.093 5.328 -8.787 1.00 71.22 H new ATOM 1403 N SER A1754 -17.141 7.475 -3.536 1.00 72.11 N ATOM 1404 CA SER A1754 -17.926 7.635 -2.326 1.00 51.54 C ATOM 1405 C SER A1754 -17.574 6.601 -1.256 1.00 43.14 C ATOM 1406 O SER A1754 -18.441 6.012 -0.602 1.00 1.11 O ATOM 1407 CB SER A1754 -19.420 7.668 -2.650 1.00 44.01 C ATOM 1408 OG SER A1754 -19.691 8.742 -3.549 1.00 64.22 O ATOM 0 H SER A1754 -16.570 8.290 -3.761 1.00 72.11 H new ATOM 0 HA SER A1754 -17.666 8.600 -1.890 1.00 51.54 H new ATOM 0 HB2 SER A1754 -19.727 6.722 -3.095 1.00 44.01 H new ATOM 0 HB3 SER A1754 -19.998 7.792 -1.734 1.00 44.01 H new ATOM 0 HG SER A1754 -20.648 8.761 -3.757 1.00 64.22 H new ATOM 1414 N PHE A1755 -16.296 6.389 -1.082 1.00 64.31 N ATOM 1415 CA PHE A1755 -15.826 5.558 -0.021 1.00 4.45 C ATOM 1416 C PHE A1755 -15.683 6.375 1.241 1.00 54.24 C ATOM 1417 O PHE A1755 -15.842 7.607 1.229 1.00 31.14 O ATOM 1418 CB PHE A1755 -14.490 4.923 -0.345 1.00 5.21 C ATOM 1419 CG PHE A1755 -14.552 3.686 -1.183 1.00 44.22 C ATOM 1420 CD1 PHE A1755 -14.809 2.468 -0.587 1.00 44.13 C ATOM 1421 CD2 PHE A1755 -14.315 3.729 -2.540 1.00 63.42 C ATOM 1422 CE1 PHE A1755 -14.835 1.313 -1.325 1.00 10.34 C ATOM 1423 CE2 PHE A1755 -14.329 2.571 -3.294 1.00 21.13 C ATOM 1424 CZ PHE A1755 -14.591 1.358 -2.683 1.00 54.44 C ATOM 0 H PHE A1755 -15.563 6.786 -1.669 1.00 64.31 H new ATOM 0 HA PHE A1755 -16.558 4.762 0.117 1.00 4.45 H new ATOM 0 HB2 PHE A1755 -13.873 5.659 -0.860 1.00 5.21 H new ATOM 0 HB3 PHE A1755 -13.985 4.682 0.591 1.00 5.21 H new ATOM 0 HD1 PHE A1755 -14.992 2.424 0.476 1.00 44.13 H new ATOM 0 HD2 PHE A1755 -14.116 4.677 -3.019 1.00 63.42 H new ATOM 0 HE1 PHE A1755 -15.046 0.369 -0.845 1.00 10.34 H new ATOM 0 HE2 PHE A1755 -14.136 2.613 -4.356 1.00 21.13 H new ATOM 0 HZ PHE A1755 -14.605 0.449 -3.266 1.00 54.44 H new ATOM 1434 N ARG A1756 -15.370 5.710 2.305 1.00 53.51 N ATOM 1435 CA ARG A1756 -15.166 6.340 3.570 1.00 1.45 C ATOM 1436 C ARG A1756 -13.849 5.852 4.142 1.00 72.34 C ATOM 1437 O ARG A1756 -13.664 4.671 4.347 1.00 3.31 O ATOM 1438 CB ARG A1756 -16.347 6.090 4.543 1.00 13.23 C ATOM 1439 CG ARG A1756 -16.790 4.634 4.676 1.00 61.51 C ATOM 1440 CD ARG A1756 -17.805 4.217 3.616 1.00 64.32 C ATOM 1441 NE ARG A1756 -19.100 4.896 3.780 1.00 33.41 N ATOM 1442 CZ ARG A1756 -20.061 4.964 2.840 1.00 30.44 C ATOM 1443 NH1 ARG A1756 -19.811 4.576 1.601 1.00 40.03 N ATOM 1444 NH2 ARG A1756 -21.256 5.460 3.138 1.00 45.33 N ATOM 0 H ARG A1756 -15.247 4.698 2.321 1.00 53.51 H new ATOM 0 HA ARG A1756 -15.124 7.420 3.431 1.00 1.45 H new ATOM 0 HB2 ARG A1756 -16.067 6.458 5.530 1.00 13.23 H new ATOM 0 HB3 ARG A1756 -17.200 6.683 4.212 1.00 13.23 H new ATOM 0 HG2 ARG A1756 -15.916 3.987 4.607 1.00 61.51 H new ATOM 0 HG3 ARG A1756 -17.223 4.481 5.665 1.00 61.51 H new ATOM 0 HD2 ARG A1756 -17.405 4.439 2.627 1.00 64.32 H new ATOM 0 HD3 ARG A1756 -17.955 3.138 3.665 1.00 64.32 H new ATOM 0 HE ARG A1756 -19.284 5.350 4.675 1.00 33.41 H new ATOM 0 HH11 ARG A1756 -18.886 4.223 1.354 1.00 40.03 H new ATOM 0 HH12 ARG A1756 -20.543 4.630 0.892 1.00 40.03 H new ATOM 0 HH21 ARG A1756 -21.449 5.792 4.083 1.00 45.33 H new ATOM 0 HH22 ARG A1756 -21.981 5.509 2.422 1.00 45.33 H new ATOM 1458 N PHE A1757 -12.930 6.743 4.324 1.00 62.05 N ATOM 1459 CA PHE A1757 -11.605 6.410 4.812 1.00 35.13 C ATOM 1460 C PHE A1757 -11.176 7.413 5.854 1.00 34.25 C ATOM 1461 O PHE A1757 -11.794 8.472 5.985 1.00 11.35 O ATOM 1462 CB PHE A1757 -10.605 6.415 3.645 1.00 25.11 C ATOM 1463 CG PHE A1757 -10.565 7.728 2.908 1.00 23.32 C ATOM 1464 CD1 PHE A1757 -11.477 7.984 1.910 1.00 15.42 C ATOM 1465 CD2 PHE A1757 -9.632 8.706 3.225 1.00 34.30 C ATOM 1466 CE1 PHE A1757 -11.478 9.174 1.239 1.00 2.12 C ATOM 1467 CE2 PHE A1757 -9.628 9.911 2.547 1.00 24.52 C ATOM 1468 CZ PHE A1757 -10.562 10.138 1.549 1.00 63.51 C ATOM 0 H PHE A1757 -13.066 7.737 4.140 1.00 62.05 H new ATOM 0 HA PHE A1757 -11.629 5.417 5.260 1.00 35.13 H new ATOM 0 HB2 PHE A1757 -9.609 6.189 4.026 1.00 25.11 H new ATOM 0 HB3 PHE A1757 -10.867 5.621 2.946 1.00 25.11 H new ATOM 0 HD1 PHE A1757 -12.206 7.230 1.652 1.00 15.42 H new ATOM 0 HD2 PHE A1757 -8.906 8.525 4.004 1.00 34.30 H new ATOM 0 HE1 PHE A1757 -12.205 9.353 0.461 1.00 2.12 H new ATOM 0 HE2 PHE A1757 -8.901 10.671 2.794 1.00 24.52 H new ATOM 0 HZ PHE A1757 -10.565 11.077 1.016 1.00 63.51 H new ATOM 1478 N SER A1758 -10.146 7.084 6.577 1.00 23.21 N ATOM 1479 CA SER A1758 -9.603 7.945 7.575 1.00 31.40 C ATOM 1480 C SER A1758 -8.132 7.559 7.794 1.00 31.31 C ATOM 1481 O SER A1758 -7.820 6.377 7.976 1.00 72.14 O ATOM 1482 CB SER A1758 -10.431 7.757 8.864 1.00 70.20 C ATOM 1483 OG SER A1758 -10.069 8.654 9.915 1.00 54.12 O ATOM 0 H SER A1758 -9.655 6.195 6.485 1.00 23.21 H new ATOM 0 HA SER A1758 -9.646 8.993 7.277 1.00 31.40 H new ATOM 0 HB2 SER A1758 -11.487 7.893 8.630 1.00 70.20 H new ATOM 0 HB3 SER A1758 -10.312 6.732 9.216 1.00 70.20 H new ATOM 0 HG SER A1758 -10.631 8.483 10.699 1.00 54.12 H new ATOM 1489 N GLU A1759 -7.235 8.524 7.698 1.00 52.11 N ATOM 1490 CA GLU A1759 -5.832 8.282 7.973 1.00 64.12 C ATOM 1491 C GLU A1759 -5.616 8.187 9.466 1.00 4.03 C ATOM 1492 O GLU A1759 -6.207 8.954 10.244 1.00 53.40 O ATOM 1493 CB GLU A1759 -4.925 9.397 7.391 1.00 11.42 C ATOM 1494 CG GLU A1759 -3.440 9.250 7.761 1.00 62.02 C ATOM 1495 CD GLU A1759 -2.577 10.404 7.308 1.00 3.13 C ATOM 1496 OE1 GLU A1759 -2.866 11.566 7.666 1.00 64.40 O ATOM 1497 OE2 GLU A1759 -1.608 10.187 6.561 1.00 63.12 O ATOM 0 H GLU A1759 -7.455 9.484 7.431 1.00 52.11 H new ATOM 0 HA GLU A1759 -5.559 7.343 7.491 1.00 64.12 H new ATOM 0 HB2 GLU A1759 -5.020 9.399 6.305 1.00 11.42 H new ATOM 0 HB3 GLU A1759 -5.283 10.364 7.744 1.00 11.42 H new ATOM 0 HG2 GLU A1759 -3.354 9.148 8.843 1.00 62.02 H new ATOM 0 HG3 GLU A1759 -3.056 8.329 7.323 1.00 62.02 H new ATOM 1504 N ILE A1760 -4.826 7.228 9.865 1.00 3.44 N ATOM 1505 CA ILE A1760 -4.412 7.108 11.239 1.00 33.30 C ATOM 1506 C ILE A1760 -3.356 8.187 11.457 1.00 12.01 C ATOM 1507 O ILE A1760 -3.566 9.140 12.222 1.00 1.50 O ATOM 1508 CB ILE A1760 -3.810 5.698 11.513 1.00 20.32 C ATOM 1509 CG1 ILE A1760 -4.855 4.605 11.208 1.00 50.54 C ATOM 1510 CG2 ILE A1760 -3.307 5.592 12.955 1.00 62.41 C ATOM 1511 CD1 ILE A1760 -4.339 3.185 11.348 1.00 3.04 C ATOM 0 H ILE A1760 -4.450 6.507 9.248 1.00 3.44 H new ATOM 0 HA ILE A1760 -5.257 7.230 11.917 1.00 33.30 H new ATOM 0 HB ILE A1760 -2.956 5.550 10.853 1.00 20.32 H new ATOM 0 HG12 ILE A1760 -5.706 4.737 11.877 1.00 50.54 H new ATOM 0 HG13 ILE A1760 -5.224 4.746 10.192 1.00 50.54 H new ATOM 0 HG21 ILE A1760 -2.891 4.599 13.123 1.00 62.41 H new ATOM 0 HG22 ILE A1760 -2.536 6.342 13.127 1.00 62.41 H new ATOM 0 HG23 ILE A1760 -4.136 5.759 13.643 1.00 62.41 H new ATOM 0 HD11 ILE A1760 -5.139 2.482 11.115 1.00 3.04 H new ATOM 0 HD12 ILE A1760 -3.508 3.030 10.659 1.00 3.04 H new ATOM 0 HD13 ILE A1760 -3.998 3.021 12.370 1.00 3.04 H new ATOM 1523 N LYS A1761 -2.258 8.023 10.729 1.00 62.02 N ATOM 1524 CA LYS A1761 -1.153 8.914 10.611 1.00 74.32 C ATOM 1525 C LYS A1761 -0.153 8.192 9.656 1.00 24.24 C ATOM 1526 O LYS A1761 -0.660 7.397 8.879 1.00 41.33 O ATOM 1527 CB LYS A1761 -0.637 9.471 11.958 1.00 0.15 C ATOM 1528 CG LYS A1761 0.204 10.752 11.792 1.00 43.01 C ATOM 1529 CD LYS A1761 0.421 11.499 13.093 1.00 0.25 C ATOM 1530 CE LYS A1761 -0.858 12.185 13.557 1.00 74.53 C ATOM 1531 NZ LYS A1761 -1.384 13.133 12.542 1.00 34.30 N ATOM 0 H LYS A1761 -2.125 7.184 10.164 1.00 62.02 H new ATOM 0 HA LYS A1761 -1.415 9.872 10.161 1.00 74.32 H new ATOM 0 HB2 LYS A1761 -1.486 9.681 12.608 1.00 0.15 H new ATOM 0 HB3 LYS A1761 -0.036 8.709 12.455 1.00 0.15 H new ATOM 0 HG2 LYS A1761 1.172 10.490 11.366 1.00 43.01 H new ATOM 0 HG3 LYS A1761 -0.290 11.413 11.080 1.00 43.01 H new ATOM 0 HD2 LYS A1761 0.763 10.805 13.861 1.00 0.25 H new ATOM 0 HD3 LYS A1761 1.208 12.242 12.962 1.00 0.25 H new ATOM 0 HE2 LYS A1761 -1.615 11.431 13.775 1.00 74.53 H new ATOM 0 HE3 LYS A1761 -0.665 12.720 14.487 1.00 74.53 H new ATOM 0 HZ1 LYS A1761 -2.014 13.820 13.003 1.00 34.30 H new ATOM 0 HZ2 LYS A1761 -0.592 13.636 12.093 1.00 34.30 H new ATOM 0 HZ3 LYS A1761 -1.915 12.608 11.818 1.00 34.30 H new ATOM 1545 N PRO A1762 1.214 8.289 9.781 1.00 64.11 N ATOM 1546 CA PRO A1762 2.208 8.125 8.676 1.00 14.24 C ATOM 1547 C PRO A1762 1.735 7.599 7.287 1.00 63.23 C ATOM 1548 O PRO A1762 2.350 6.667 6.744 1.00 53.04 O ATOM 1549 CB PRO A1762 3.216 7.148 9.273 1.00 21.04 C ATOM 1550 CG PRO A1762 2.823 6.990 10.691 1.00 70.23 C ATOM 1551 CD PRO A1762 1.966 8.155 11.011 1.00 14.12 C ATOM 0 HA PRO A1762 2.560 9.119 8.402 1.00 14.24 H new ATOM 0 HB2 PRO A1762 3.192 6.192 8.750 1.00 21.04 H new ATOM 0 HB3 PRO A1762 4.232 7.532 9.188 1.00 21.04 H new ATOM 0 HG2 PRO A1762 2.284 6.055 10.844 1.00 70.23 H new ATOM 0 HG3 PRO A1762 3.700 6.962 11.338 1.00 70.23 H new ATOM 0 HD2 PRO A1762 1.322 7.970 11.870 1.00 14.12 H new ATOM 0 HD3 PRO A1762 2.550 9.047 11.237 1.00 14.12 H new ATOM 1559 N GLY A1763 0.729 8.212 6.687 1.00 22.10 N ATOM 1560 CA GLY A1763 0.293 7.774 5.380 1.00 31.12 C ATOM 1561 C GLY A1763 -0.462 6.455 5.419 1.00 4.44 C ATOM 1562 O GLY A1763 -0.362 5.642 4.507 1.00 24.20 O ATOM 0 H GLY A1763 0.210 8.999 7.077 1.00 22.10 H new ATOM 0 HA2 GLY A1763 -0.346 8.540 4.940 1.00 31.12 H new ATOM 0 HA3 GLY A1763 1.161 7.671 4.729 1.00 31.12 H new ATOM 1566 N CYS A1764 -1.133 6.180 6.488 1.00 45.12 N ATOM 1567 CA CYS A1764 -1.910 4.988 6.523 1.00 52.32 C ATOM 1568 C CYS A1764 -3.396 5.316 6.553 1.00 13.30 C ATOM 1569 O CYS A1764 -3.941 5.769 7.570 1.00 35.34 O ATOM 1570 CB CYS A1764 -1.481 4.099 7.675 1.00 61.52 C ATOM 1571 SG CYS A1764 -2.276 2.474 7.708 1.00 31.42 S ATOM 0 H CYS A1764 -1.160 6.751 7.332 1.00 45.12 H new ATOM 0 HA CYS A1764 -1.731 4.422 5.609 1.00 52.32 H new ATOM 0 HB2 CYS A1764 -0.401 3.960 7.627 1.00 61.52 H new ATOM 0 HB3 CYS A1764 -1.695 4.613 8.612 1.00 61.52 H new ATOM 0 HG CYS A1764 -1.838 1.797 8.728 1.00 31.42 H new ATOM 1577 N LEU A1765 -4.026 5.101 5.422 1.00 22.15 N ATOM 1578 CA LEU A1765 -5.430 5.359 5.211 1.00 74.03 C ATOM 1579 C LEU A1765 -6.223 4.098 5.501 1.00 54.01 C ATOM 1580 O LEU A1765 -6.034 3.075 4.840 1.00 4.44 O ATOM 1581 CB LEU A1765 -5.665 5.747 3.735 1.00 12.44 C ATOM 1582 CG LEU A1765 -4.901 6.966 3.205 1.00 11.35 C ATOM 1583 CD1 LEU A1765 -5.147 7.139 1.716 1.00 54.32 C ATOM 1584 CD2 LEU A1765 -5.323 8.214 3.947 1.00 65.10 C ATOM 0 H LEU A1765 -3.558 4.729 4.595 1.00 22.15 H new ATOM 0 HA LEU A1765 -5.748 6.167 5.870 1.00 74.03 H new ATOM 0 HB2 LEU A1765 -5.407 4.889 3.114 1.00 12.44 H new ATOM 0 HB3 LEU A1765 -6.731 5.930 3.598 1.00 12.44 H new ATOM 0 HG LEU A1765 -3.836 6.802 3.368 1.00 11.35 H new ATOM 0 HD11 LEU A1765 -4.598 8.009 1.355 1.00 54.32 H new ATOM 0 HD12 LEU A1765 -4.808 6.249 1.185 1.00 54.32 H new ATOM 0 HD13 LEU A1765 -6.213 7.283 1.538 1.00 54.32 H new ATOM 0 HD21 LEU A1765 -4.772 9.071 3.560 1.00 65.10 H new ATOM 0 HD22 LEU A1765 -6.392 8.376 3.808 1.00 65.10 H new ATOM 0 HD23 LEU A1765 -5.110 8.095 5.009 1.00 65.10 H new ATOM 1596 N LYS A1766 -7.071 4.138 6.483 1.00 43.15 N ATOM 1597 CA LYS A1766 -7.921 3.014 6.745 1.00 2.22 C ATOM 1598 C LYS A1766 -9.258 3.280 6.085 1.00 13.32 C ATOM 1599 O LYS A1766 -9.966 4.222 6.443 1.00 14.45 O ATOM 1600 CB LYS A1766 -8.076 2.753 8.250 1.00 50.25 C ATOM 1601 CG LYS A1766 -8.838 1.468 8.572 1.00 0.34 C ATOM 1602 CD LYS A1766 -8.884 1.209 10.067 1.00 4.24 C ATOM 1603 CE LYS A1766 -9.609 -0.092 10.392 1.00 24.25 C ATOM 1604 NZ LYS A1766 -9.659 -0.353 11.845 1.00 64.10 N ATOM 0 H LYS A1766 -7.194 4.931 7.113 1.00 43.15 H new ATOM 0 HA LYS A1766 -7.474 2.110 6.331 1.00 2.22 H new ATOM 0 HB2 LYS A1766 -7.087 2.703 8.705 1.00 50.25 H new ATOM 0 HB3 LYS A1766 -8.594 3.597 8.705 1.00 50.25 H new ATOM 0 HG2 LYS A1766 -9.854 1.538 8.182 1.00 0.34 H new ATOM 0 HG3 LYS A1766 -8.362 0.626 8.070 1.00 0.34 H new ATOM 0 HD2 LYS A1766 -7.868 1.168 10.461 1.00 4.24 H new ATOM 0 HD3 LYS A1766 -9.385 2.039 10.565 1.00 4.24 H new ATOM 0 HE2 LYS A1766 -10.624 -0.049 9.997 1.00 24.25 H new ATOM 0 HE3 LYS A1766 -9.107 -0.921 9.892 1.00 24.25 H new ATOM 0 HZ1 LYS A1766 -10.161 -1.247 12.020 1.00 64.10 H new ATOM 0 HZ2 LYS A1766 -8.691 -0.420 12.219 1.00 64.10 H new ATOM 0 HZ3 LYS A1766 -10.161 0.424 12.320 1.00 64.10 H new ATOM 1618 N VAL A1767 -9.563 2.501 5.098 1.00 31.45 N ATOM 1619 CA VAL A1767 -10.768 2.661 4.334 1.00 42.44 C ATOM 1620 C VAL A1767 -11.806 1.710 4.871 1.00 13.30 C ATOM 1621 O VAL A1767 -11.499 0.565 5.157 1.00 33.11 O ATOM 1622 CB VAL A1767 -10.521 2.325 2.830 1.00 31.14 C ATOM 1623 CG1 VAL A1767 -11.771 2.573 1.991 1.00 1.42 C ATOM 1624 CG2 VAL A1767 -9.330 3.104 2.275 1.00 31.25 C ATOM 0 H VAL A1767 -8.977 1.724 4.792 1.00 31.45 H new ATOM 0 HA VAL A1767 -11.101 3.696 4.415 1.00 42.44 H new ATOM 0 HB VAL A1767 -10.284 1.263 2.770 1.00 31.14 H new ATOM 0 HG11 VAL A1767 -11.564 2.329 0.949 1.00 1.42 H new ATOM 0 HG12 VAL A1767 -12.584 1.946 2.356 1.00 1.42 H new ATOM 0 HG13 VAL A1767 -12.059 3.622 2.068 1.00 1.42 H new ATOM 0 HG21 VAL A1767 -9.185 2.847 1.226 1.00 31.25 H new ATOM 0 HG22 VAL A1767 -9.521 4.173 2.364 1.00 31.25 H new ATOM 0 HG23 VAL A1767 -8.433 2.848 2.839 1.00 31.25 H new ATOM 1634 N MET A1768 -12.997 2.186 5.046 1.00 74.03 N ATOM 1635 CA MET A1768 -14.100 1.362 5.450 1.00 41.52 C ATOM 1636 C MET A1768 -14.869 1.043 4.182 1.00 52.11 C ATOM 1637 O MET A1768 -15.099 1.944 3.345 1.00 21.32 O ATOM 1638 CB MET A1768 -15.009 2.098 6.456 1.00 14.33 C ATOM 1639 CG MET A1768 -14.312 2.601 7.720 1.00 21.42 C ATOM 1640 SD MET A1768 -14.876 1.774 9.233 1.00 20.20 S ATOM 1641 CE MET A1768 -14.322 0.101 8.939 1.00 64.32 C ATOM 0 H MET A1768 -13.238 3.168 4.912 1.00 74.03 H new ATOM 0 HA MET A1768 -13.749 0.459 5.950 1.00 41.52 H new ATOM 0 HB2 MET A1768 -15.468 2.948 5.951 1.00 14.33 H new ATOM 0 HB3 MET A1768 -15.817 1.427 6.749 1.00 14.33 H new ATOM 0 HG2 MET A1768 -13.237 2.456 7.615 1.00 21.42 H new ATOM 0 HG3 MET A1768 -14.481 3.673 7.817 1.00 21.42 H new ATOM 0 HE1 MET A1768 -14.747 -0.561 9.693 1.00 64.32 H new ATOM 0 HE2 MET A1768 -14.646 -0.221 7.949 1.00 64.32 H new ATOM 0 HE3 MET A1768 -13.234 0.063 8.995 1.00 64.32 H new ATOM 1651 N LEU A1769 -15.234 -0.198 4.013 1.00 53.21 N ATOM 1652 CA LEU A1769 -15.888 -0.642 2.802 1.00 62.52 C ATOM 1653 C LEU A1769 -17.353 -0.252 2.782 1.00 33.40 C ATOM 1654 O LEU A1769 -17.912 0.185 3.799 1.00 23.24 O ATOM 1655 CB LEU A1769 -15.701 -2.150 2.596 1.00 2.45 C ATOM 1656 CG LEU A1769 -14.259 -2.617 2.358 1.00 2.22 C ATOM 1657 CD1 LEU A1769 -14.199 -4.126 2.234 1.00 10.23 C ATOM 1658 CD2 LEU A1769 -13.679 -1.965 1.112 1.00 51.45 C ATOM 0 H LEU A1769 -15.089 -0.932 4.706 1.00 53.21 H new ATOM 0 HA LEU A1769 -15.412 -0.133 1.964 1.00 62.52 H new ATOM 0 HB2 LEU A1769 -16.091 -2.668 3.472 1.00 2.45 H new ATOM 0 HB3 LEU A1769 -16.308 -2.460 1.746 1.00 2.45 H new ATOM 0 HG LEU A1769 -13.661 -2.314 3.217 1.00 2.22 H new ATOM 0 HD11 LEU A1769 -13.168 -4.437 2.066 1.00 10.23 H new ATOM 0 HD12 LEU A1769 -14.570 -4.582 3.152 1.00 10.23 H new ATOM 0 HD13 LEU A1769 -14.816 -4.447 1.395 1.00 10.23 H new ATOM 0 HD21 LEU A1769 -12.656 -2.311 0.963 1.00 51.45 H new ATOM 0 HD22 LEU A1769 -14.283 -2.235 0.246 1.00 51.45 H new ATOM 0 HD23 LEU A1769 -13.682 -0.882 1.233 1.00 51.45 H new ATOM 1670 N LYS A1770 -17.963 -0.392 1.636 1.00 73.33 N ATOM 1671 CA LYS A1770 -19.322 0.001 1.447 1.00 54.43 C ATOM 1672 C LYS A1770 -20.187 -1.191 1.005 1.00 44.10 C ATOM 1673 O LYS A1770 -20.778 -1.834 1.877 1.00 12.11 O ATOM 1674 CB LYS A1770 -19.404 1.187 0.459 1.00 63.53 C ATOM 1675 CG LYS A1770 -18.702 0.945 -0.875 1.00 41.44 C ATOM 1676 CD LYS A1770 -18.900 2.101 -1.832 1.00 0.13 C ATOM 1677 CE LYS A1770 -18.356 1.770 -3.213 1.00 63.13 C ATOM 1678 NZ LYS A1770 -18.962 0.530 -3.759 1.00 72.12 N ATOM 0 H LYS A1770 -17.522 -0.786 0.805 1.00 73.33 H new ATOM 0 HA LYS A1770 -19.726 0.341 2.400 1.00 54.43 H new ATOM 0 HB2 LYS A1770 -20.453 1.413 0.268 1.00 63.53 H new ATOM 0 HB3 LYS A1770 -18.968 2.068 0.931 1.00 63.53 H new ATOM 0 HG2 LYS A1770 -17.636 0.794 -0.703 1.00 41.44 H new ATOM 0 HG3 LYS A1770 -19.085 0.030 -1.326 1.00 41.44 H new ATOM 0 HD2 LYS A1770 -19.961 2.340 -1.904 1.00 0.13 H new ATOM 0 HD3 LYS A1770 -18.399 2.988 -1.444 1.00 0.13 H new ATOM 0 HE2 LYS A1770 -18.554 2.601 -3.891 1.00 63.13 H new ATOM 0 HE3 LYS A1770 -17.274 1.653 -3.159 1.00 63.13 H new ATOM 0 HZ1 LYS A1770 -18.874 0.528 -4.795 1.00 72.12 H new ATOM 0 HZ2 LYS A1770 -18.469 -0.298 -3.368 1.00 72.12 H new ATOM 0 HZ3 LYS A1770 -19.968 0.490 -3.497 1.00 72.12 H new