USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ -139:sc= 0.615 (180deg=0.00775) USER MOD Set 1.2: A 88 THR OG1 : rot -116:sc= 1.9 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -1.52! C(o=-0.21!,f=-6.3!) USER MOD Set 2.2: B 208 THR OG1 : rot 102:sc= 1.31 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.268 K(o=-0.28,f=-1.1) USER MOD Set 3.2: A 93 HIS : no HD1:sc= -0.552 X(o=-0.28,f=0.066) USER MOD Single : A 13 THR OG1 : rot -16:sc= 0.154 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -36:sc= 0.148 USER MOD Single : A 60 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.034) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -148:sc= 1.26 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.664 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 84 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 87 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.027) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0178) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.789 -7.503 -6.043 1.00 0.00 N ATOM 74 CA THR A 13 -5.914 -6.458 -6.474 1.00 0.00 C ATOM 75 C THR A 13 -6.712 -5.202 -6.531 1.00 0.00 C ATOM 76 O THR A 13 -7.656 -5.061 -7.307 1.00 0.00 O ATOM 77 CB THR A 13 -5.171 -6.628 -7.766 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.893 -7.375 -8.734 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.855 -7.370 -7.478 1.00 0.00 C ATOM 0 HA THR A 13 -5.110 -6.457 -5.738 1.00 0.00 H new ATOM 0 HB THR A 13 -5.006 -5.631 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.632 -7.848 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.301 -7.503 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.255 -6.789 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.075 -8.346 -7.044 1.00 0.00 H new ATOM 87 N PHE A 14 -6.362 -4.237 -5.661 1.00 0.00 N ATOM 88 CA PHE A 14 -6.962 -2.940 -5.596 1.00 0.00 C ATOM 89 C PHE A 14 -5.851 -1.947 -5.581 1.00 0.00 C ATOM 90 O PHE A 14 -5.057 -1.897 -4.642 1.00 0.00 O ATOM 91 CB PHE A 14 -7.998 -2.663 -4.493 1.00 0.00 C ATOM 92 CG PHE A 14 -7.766 -3.157 -3.106 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.437 -4.466 -2.840 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.015 -2.331 -2.036 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.266 -4.919 -1.554 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.833 -2.768 -0.745 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.462 -4.068 -0.492 1.00 0.00 C ATOM 0 H PHE A 14 -5.624 -4.368 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.598 -2.862 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.126 -1.582 -4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.948 -3.079 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.310 -5.155 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.359 -1.323 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.977 -5.945 -1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.983 -2.084 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.327 -4.414 0.522 1.00 0.00 H new ATOM 107 N GLU A 15 -5.731 -1.133 -6.644 1.00 0.00 N ATOM 108 CA GLU A 15 -4.708 -0.141 -6.758 1.00 0.00 C ATOM 109 C GLU A 15 -5.205 1.183 -6.286 1.00 0.00 C ATOM 110 O GLU A 15 -5.456 2.112 -7.050 1.00 0.00 O ATOM 111 CB GLU A 15 -4.129 -0.082 -8.182 1.00 0.00 C ATOM 112 CG GLU A 15 -3.818 -1.466 -8.753 1.00 0.00 C ATOM 113 CD GLU A 15 -2.970 -1.432 -10.015 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.024 -0.608 -10.132 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.249 -2.255 -10.929 1.00 0.00 O ATOM 0 H GLU A 15 -6.361 -1.165 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.881 -0.427 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.838 0.425 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.218 0.516 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.301 -2.054 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.755 -1.979 -8.970 1.00 0.00 H new ATOM 122 N VAL A 16 -5.384 1.299 -4.958 1.00 0.00 N ATOM 123 CA VAL A 16 -5.996 2.380 -4.249 1.00 0.00 C ATOM 124 C VAL A 16 -5.142 3.601 -4.261 1.00 0.00 C ATOM 125 O VAL A 16 -4.015 3.580 -3.770 1.00 0.00 O ATOM 126 CB VAL A 16 -6.181 1.959 -2.822 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.694 3.105 -1.933 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.175 0.786 -2.760 1.00 0.00 C ATOM 0 H VAL A 16 -5.070 0.566 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.944 2.615 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.205 1.659 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.811 2.747 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.979 3.927 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.656 3.453 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.311 0.479 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.133 1.099 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.786 -0.052 -3.339 1.00 0.00 H new ATOM 138 N GLU A 17 -5.617 4.749 -4.776 1.00 0.00 N ATOM 139 CA GLU A 17 -4.786 5.905 -4.906 1.00 0.00 C ATOM 140 C GLU A 17 -5.150 6.897 -3.855 1.00 0.00 C ATOM 141 O GLU A 17 -6.276 7.383 -3.763 1.00 0.00 O ATOM 142 CB GLU A 17 -4.742 6.434 -6.350 1.00 0.00 C ATOM 143 CG GLU A 17 -5.899 7.334 -6.789 1.00 0.00 C ATOM 144 CD GLU A 17 -6.198 7.189 -8.274 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.861 6.185 -8.645 1.00 0.00 O ATOM 146 OE2 GLU A 17 -5.799 8.087 -9.064 1.00 0.00 O ATOM 0 H GLU A 17 -6.575 4.877 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.745 5.643 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.812 6.987 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.702 5.579 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.791 7.086 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.655 8.373 -6.567 1.00 0.00 H new ATOM 153 N LEU A 18 -4.195 7.157 -2.945 1.00 0.00 N ATOM 154 CA LEU A 18 -4.422 7.936 -1.768 1.00 0.00 C ATOM 155 C LEU A 18 -3.604 9.181 -1.815 1.00 0.00 C ATOM 156 O LEU A 18 -2.470 9.194 -2.288 1.00 0.00 O ATOM 157 CB LEU A 18 -3.962 7.190 -0.505 1.00 0.00 C ATOM 158 CG LEU A 18 -4.656 5.830 -0.308 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.057 5.144 0.931 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.187 5.970 -0.253 1.00 0.00 C ATOM 0 H LEU A 18 -3.238 6.816 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.492 8.143 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.884 7.035 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.153 7.816 0.367 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.469 5.191 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.540 4.179 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.987 4.995 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.218 5.771 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.637 4.987 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.463 6.618 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.546 6.404 -1.186 1.00 0.00 H new ATOM 172 N ALA A 19 -4.153 10.271 -1.247 1.00 0.00 N ATOM 173 CA ALA A 19 -3.394 11.441 -0.932 1.00 0.00 C ATOM 174 C ALA A 19 -3.228 11.476 0.549 1.00 0.00 C ATOM 175 O ALA A 19 -4.179 11.685 1.300 1.00 0.00 O ATOM 176 CB ALA A 19 -4.072 12.697 -1.504 1.00 0.00 C ATOM 0 H ALA A 19 -5.141 10.340 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.406 11.416 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.479 13.577 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.149 12.608 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.070 12.798 -1.077 1.00 0.00 H new ATOM 182 N LYS A 20 -1.993 11.236 1.023 1.00 0.00 N ATOM 183 CA LYS A 20 -1.572 11.296 2.388 1.00 0.00 C ATOM 184 C LYS A 20 -1.900 12.597 3.036 1.00 0.00 C ATOM 185 O LYS A 20 -2.018 13.635 2.385 1.00 0.00 O ATOM 186 CB LYS A 20 -0.059 11.043 2.503 1.00 0.00 C ATOM 187 CG LYS A 20 0.690 11.683 1.332 1.00 0.00 C ATOM 188 CD LYS A 20 2.185 11.955 1.514 1.00 0.00 C ATOM 189 CE LYS A 20 3.086 10.739 1.285 1.00 0.00 C ATOM 190 NZ LYS A 20 4.493 11.163 1.109 1.00 0.00 N ATOM 0 H LYS A 20 -1.228 10.979 0.400 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.122 10.513 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.312 11.450 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.134 9.970 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.569 11.037 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.202 12.629 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.483 12.746 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.352 12.330 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.009 10.057 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.752 10.192 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.931 10.606 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.523 12.172 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.015 11.010 1.995 1.00 0.00 H new ATOM 204 N THR A 21 -2.099 12.599 4.366 1.00 0.00 N ATOM 205 CA THR A 21 -2.397 13.779 5.117 1.00 0.00 C ATOM 206 C THR A 21 -1.203 14.084 5.955 1.00 0.00 C ATOM 207 O THR A 21 -0.876 13.383 6.912 1.00 0.00 O ATOM 208 CB THR A 21 -3.705 13.700 5.848 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.068 14.948 6.420 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.741 12.646 6.967 1.00 0.00 C ATOM 0 H THR A 21 -2.051 11.755 4.936 1.00 0.00 H new ATOM 0 HA THR A 21 -2.571 14.628 4.456 1.00 0.00 H new ATOM 0 HB THR A 21 -4.416 13.405 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.925 14.857 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.721 12.655 7.444 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.552 11.659 6.544 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.975 12.876 7.708 1.00 0.00 H new ATOM 218 N ASP A 22 -0.431 15.107 5.550 1.00 0.00 N ATOM 219 CA ASP A 22 0.807 15.535 6.125 1.00 0.00 C ATOM 220 C ASP A 22 1.791 14.460 6.437 1.00 0.00 C ATOM 221 O ASP A 22 2.247 14.288 7.566 1.00 0.00 O ATOM 222 CB ASP A 22 0.531 16.493 7.296 1.00 0.00 C ATOM 223 CG ASP A 22 1.427 17.722 7.243 1.00 0.00 C ATOM 224 OD1 ASP A 22 1.456 18.386 6.172 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.102 18.053 8.255 1.00 0.00 O ATOM 0 H ASP A 22 -0.697 15.684 4.752 1.00 0.00 H new ATOM 0 HA ASP A 22 1.335 16.081 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.514 16.803 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.688 15.969 8.239 1.00 0.00 H new ATOM 230 N GLY A 23 2.166 13.663 5.421 1.00 0.00 N ATOM 231 CA GLY A 23 3.061 12.556 5.553 1.00 0.00 C ATOM 232 C GLY A 23 2.554 11.400 6.345 1.00 0.00 C ATOM 233 O GLY A 23 3.168 11.024 7.342 1.00 0.00 O ATOM 0 H GLY A 23 1.831 13.796 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.320 12.202 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.982 12.912 6.014 1.00 0.00 H new ATOM 237 N SER A 24 1.454 10.764 5.906 1.00 0.00 N ATOM 238 CA SER A 24 0.759 9.722 6.596 1.00 0.00 C ATOM 239 C SER A 24 -0.456 9.410 5.792 1.00 0.00 C ATOM 240 O SER A 24 -1.373 10.213 5.627 1.00 0.00 O ATOM 241 CB SER A 24 0.379 10.051 8.050 1.00 0.00 C ATOM 242 OG SER A 24 -0.268 8.979 8.720 1.00 0.00 O ATOM 0 H SER A 24 1.022 10.993 5.011 1.00 0.00 H new ATOM 0 HA SER A 24 1.430 8.868 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.280 10.323 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.275 10.923 8.058 1.00 0.00 H new ATOM 0 HG SER A 24 -0.482 9.248 9.638 1.00 0.00 H new ATOM 248 N LEU A 25 -0.479 8.197 5.212 1.00 0.00 N ATOM 249 CA LEU A 25 -1.607 7.582 4.582 1.00 0.00 C ATOM 250 C LEU A 25 -2.507 7.089 5.663 1.00 0.00 C ATOM 251 O LEU A 25 -3.730 7.218 5.625 1.00 0.00 O ATOM 252 CB LEU A 25 -1.132 6.348 3.797 1.00 0.00 C ATOM 253 CG LEU A 25 0.043 6.602 2.839 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.728 5.257 2.546 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.414 7.360 1.580 1.00 0.00 C ATOM 0 H LEU A 25 0.350 7.604 5.181 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.105 8.292 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.842 5.574 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.971 5.956 3.223 1.00 0.00 H new ATOM 0 HG LEU A 25 0.781 7.258 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.566 5.416 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.093 4.824 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.012 4.577 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.441 7.524 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.168 6.773 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.839 8.321 1.868 1.00 0.00 H new ATOM 267 N GLY A 26 -1.863 6.504 6.689 1.00 0.00 N ATOM 268 CA GLY A 26 -2.479 6.103 7.916 1.00 0.00 C ATOM 269 C GLY A 26 -2.396 4.631 8.128 1.00 0.00 C ATOM 270 O GLY A 26 -3.303 4.027 8.698 1.00 0.00 O ATOM 0 H GLY A 26 -0.864 6.301 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.997 6.617 8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.525 6.410 7.914 1.00 0.00 H new ATOM 274 N ILE A 27 -1.300 3.999 7.671 1.00 0.00 N ATOM 275 CA ILE A 27 -1.115 2.605 7.928 1.00 0.00 C ATOM 276 C ILE A 27 0.114 2.368 8.738 1.00 0.00 C ATOM 277 O ILE A 27 1.174 2.932 8.472 1.00 0.00 O ATOM 278 CB ILE A 27 -1.171 1.777 6.678 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.158 2.224 5.611 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.623 1.877 6.181 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.117 1.305 4.392 1.00 0.00 C ATOM 0 H ILE A 27 -0.555 4.443 7.134 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.958 2.266 8.530 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.889 0.745 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.405 3.235 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.835 2.267 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.736 1.293 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.297 1.489 6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.867 2.920 5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.618 1.679 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.160 0.298 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.100 1.281 3.921 1.00 0.00 H new ATOM 293 N SER A 28 -0.012 1.526 9.779 1.00 0.00 N ATOM 294 CA SER A 28 1.090 0.933 10.473 1.00 0.00 C ATOM 295 C SER A 28 1.583 -0.279 9.760 1.00 0.00 C ATOM 296 O SER A 28 0.906 -1.303 9.696 1.00 0.00 O ATOM 297 CB SER A 28 0.792 0.420 11.892 1.00 0.00 C ATOM 298 OG SER A 28 0.525 1.487 12.791 1.00 0.00 O ATOM 0 H SER A 28 -0.919 1.247 10.153 1.00 0.00 H new ATOM 0 HA SER A 28 1.802 1.757 10.519 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.064 -0.254 11.863 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.641 -0.158 12.256 1.00 0.00 H new ATOM 0 HG SER A 28 0.338 1.125 13.682 1.00 0.00 H new ATOM 304 N VAL A 29 2.813 -0.222 9.218 1.00 0.00 N ATOM 305 CA VAL A 29 3.352 -1.289 8.432 1.00 0.00 C ATOM 306 C VAL A 29 4.015 -2.385 9.193 1.00 0.00 C ATOM 307 O VAL A 29 4.882 -2.172 10.038 1.00 0.00 O ATOM 308 CB VAL A 29 4.254 -0.736 7.369 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.387 0.055 6.374 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.339 0.152 8.001 1.00 0.00 C ATOM 0 H VAL A 29 3.441 0.574 9.326 1.00 0.00 H new ATOM 0 HA VAL A 29 2.489 -1.777 7.979 1.00 0.00 H new ATOM 0 HB VAL A 29 4.766 -1.541 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.020 0.469 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.645 -0.609 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.881 0.866 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.987 0.547 7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.868 0.978 8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.932 -0.439 8.699 1.00 0.00 H new ATOM 320 N THR A 30 3.632 -3.645 8.920 1.00 0.00 N ATOM 321 CA THR A 30 4.180 -4.840 9.482 1.00 0.00 C ATOM 322 C THR A 30 4.657 -5.760 8.411 1.00 0.00 C ATOM 323 O THR A 30 4.369 -5.593 7.227 1.00 0.00 O ATOM 324 CB THR A 30 3.249 -5.561 10.411 1.00 0.00 C ATOM 325 OG1 THR A 30 3.860 -6.645 11.096 1.00 0.00 O ATOM 326 CG2 THR A 30 2.013 -6.117 9.684 1.00 0.00 C ATOM 0 H THR A 30 2.883 -3.842 8.256 1.00 0.00 H new ATOM 0 HA THR A 30 5.025 -4.516 10.090 1.00 0.00 H new ATOM 0 HB THR A 30 2.956 -4.799 11.133 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.203 -7.071 11.685 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.370 -6.630 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.462 -5.297 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.330 -6.819 8.913 1.00 0.00 H new ATOM 334 N GLY A 31 5.430 -6.792 8.798 1.00 0.00 N ATOM 335 CA GLY A 31 6.013 -7.756 7.920 1.00 0.00 C ATOM 336 C GLY A 31 7.317 -7.310 7.352 1.00 0.00 C ATOM 337 O GLY A 31 8.154 -6.740 8.049 1.00 0.00 O ATOM 0 H GLY A 31 5.659 -6.961 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.159 -8.691 8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.320 -7.964 7.105 1.00 0.00 H new ATOM 341 N GLY A 32 7.526 -7.555 6.046 1.00 0.00 N ATOM 342 CA GLY A 32 8.697 -7.159 5.326 1.00 0.00 C ATOM 343 C GLY A 32 9.567 -8.329 5.023 1.00 0.00 C ATOM 344 O GLY A 32 9.489 -9.385 5.649 1.00 0.00 O ATOM 0 H GLY A 32 6.849 -8.051 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.407 -6.669 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.256 -6.429 5.911 1.00 0.00 H new ATOM 348 N VAL A 33 10.481 -8.162 4.050 1.00 0.00 N ATOM 349 CA VAL A 33 11.425 -9.153 3.637 1.00 0.00 C ATOM 350 C VAL A 33 12.290 -9.675 4.732 1.00 0.00 C ATOM 351 O VAL A 33 12.645 -10.853 4.750 1.00 0.00 O ATOM 352 CB VAL A 33 12.221 -8.610 2.489 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.558 -9.327 2.234 1.00 0.00 C ATOM 354 CG2 VAL A 33 11.319 -8.728 1.249 1.00 0.00 C ATOM 0 H VAL A 33 10.565 -7.291 3.525 1.00 0.00 H new ATOM 0 HA VAL A 33 10.863 -10.030 3.316 1.00 0.00 H new ATOM 0 HB VAL A 33 12.503 -7.583 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.063 -8.865 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.189 -9.246 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.371 -10.379 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.848 -8.345 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.059 -9.774 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.409 -8.148 1.404 1.00 0.00 H new ATOM 467 N GLY A 41 7.275 -8.101 0.685 1.00 0.00 N ATOM 468 CA GLY A 41 6.554 -6.871 0.795 1.00 0.00 C ATOM 469 C GLY A 41 5.951 -6.654 2.141 1.00 0.00 C ATOM 470 O GLY A 41 6.286 -7.341 3.104 1.00 0.00 O ATOM 0 HA2 GLY A 41 7.226 -6.043 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.764 -6.854 0.044 1.00 0.00 H new ATOM 474 N ILE A 42 5.058 -5.654 2.248 1.00 0.00 N ATOM 475 CA ILE A 42 4.622 -5.145 3.511 1.00 0.00 C ATOM 476 C ILE A 42 3.162 -5.387 3.684 1.00 0.00 C ATOM 477 O ILE A 42 2.450 -5.783 2.763 1.00 0.00 O ATOM 478 CB ILE A 42 5.116 -3.743 3.716 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.531 -3.454 5.168 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.170 -2.629 3.236 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.781 -4.217 5.603 1.00 0.00 C ATOM 0 H ILE A 42 4.632 -5.191 1.445 1.00 0.00 H new ATOM 0 HA ILE A 42 5.076 -5.691 4.338 1.00 0.00 H new ATOM 0 HB ILE A 42 5.994 -3.714 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.709 -2.385 5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.706 -3.712 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.623 -1.657 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.993 -2.738 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.222 -2.701 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.018 -3.967 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.600 -5.289 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.618 -3.940 4.962 1.00 0.00 H new ATOM 493 N TYR A 43 2.654 -5.268 4.925 1.00 0.00 N ATOM 494 CA TYR A 43 1.310 -5.625 5.260 1.00 0.00 C ATOM 495 C TYR A 43 0.817 -4.595 6.217 1.00 0.00 C ATOM 496 O TYR A 43 1.606 -3.946 6.903 1.00 0.00 O ATOM 497 CB TYR A 43 1.282 -6.969 6.005 1.00 0.00 C ATOM 498 CG TYR A 43 1.606 -8.121 5.117 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.896 -8.426 4.754 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.573 -8.903 4.657 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.144 -9.445 3.865 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.820 -9.963 3.817 1.00 0.00 C ATOM 503 CZ TYR A 43 2.104 -10.209 3.389 1.00 0.00 C ATOM 504 OH TYR A 43 2.311 -11.198 2.405 1.00 0.00 O ATOM 0 H TYR A 43 3.192 -4.914 5.716 1.00 0.00 H new ATOM 0 HA TYR A 43 0.710 -5.693 4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.994 -6.939 6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.295 -7.118 6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.719 -7.863 5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.441 -8.683 4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.154 -9.645 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.009 -10.600 3.495 1.00 0.00 H new ATOM 0 HH TYR A 43 1.459 -11.635 2.196 1.00 0.00 H new ATOM 514 N VAL A 44 -0.509 -4.402 6.330 1.00 0.00 N ATOM 515 CA VAL A 44 -1.054 -3.466 7.263 1.00 0.00 C ATOM 516 C VAL A 44 -1.358 -4.105 8.573 1.00 0.00 C ATOM 517 O VAL A 44 -2.179 -5.019 8.654 1.00 0.00 O ATOM 518 CB VAL A 44 -2.330 -2.859 6.759 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.589 -1.595 7.597 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.255 -2.551 5.254 1.00 0.00 C ATOM 0 H VAL A 44 -1.206 -4.896 5.773 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.291 -2.697 7.386 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.158 -3.559 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.511 -1.120 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.682 -1.868 8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.758 -0.901 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.197 -2.113 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.443 -1.849 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.072 -3.473 4.703 1.00 0.00 H new ATOM 530 N LYS A 45 -0.737 -3.640 9.671 1.00 0.00 N ATOM 531 CA LYS A 45 -0.981 -4.146 10.987 1.00 0.00 C ATOM 532 C LYS A 45 -2.179 -3.500 11.596 1.00 0.00 C ATOM 533 O LYS A 45 -2.978 -4.145 12.273 1.00 0.00 O ATOM 534 CB LYS A 45 0.226 -3.886 11.903 1.00 0.00 C ATOM 535 CG LYS A 45 0.550 -4.981 12.921 1.00 0.00 C ATOM 536 CD LYS A 45 -0.443 -5.151 14.073 1.00 0.00 C ATOM 537 CE LYS A 45 0.033 -6.085 15.187 1.00 0.00 C ATOM 538 NZ LYS A 45 0.142 -7.486 14.720 1.00 0.00 N ATOM 0 H LYS A 45 -0.045 -2.891 9.644 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.152 -5.218 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.104 -3.730 11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.051 -2.956 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.624 -5.930 12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.533 -4.775 13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.653 -4.171 14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.383 -5.532 13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.002 -5.748 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.661 -6.034 16.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.467 -8.089 15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.788 -7.816 14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.824 -7.539 13.936 1.00 0.00 H new ATOM 552 N ALA A 46 -2.318 -2.180 11.380 1.00 0.00 N ATOM 553 CA ALA A 46 -3.326 -1.372 11.993 1.00 0.00 C ATOM 554 C ALA A 46 -3.737 -0.280 11.066 1.00 0.00 C ATOM 555 O ALA A 46 -2.892 0.402 10.488 1.00 0.00 O ATOM 556 CB ALA A 46 -2.788 -0.789 13.311 1.00 0.00 C ATOM 0 H ALA A 46 -1.706 -1.656 10.755 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.200 -1.986 12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.557 -0.173 13.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.516 -1.602 13.984 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.909 -0.178 13.107 1.00 0.00 H new ATOM 562 N ILE A 47 -5.055 -0.087 10.882 1.00 0.00 N ATOM 563 CA ILE A 47 -5.627 1.019 10.178 1.00 0.00 C ATOM 564 C ILE A 47 -6.030 2.029 11.196 1.00 0.00 C ATOM 565 O ILE A 47 -6.841 1.755 12.080 1.00 0.00 O ATOM 566 CB ILE A 47 -6.843 0.654 9.379 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.558 -0.450 8.347 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.462 1.885 8.696 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.520 -0.051 7.300 1.00 0.00 C ATOM 0 H ILE A 47 -5.756 -0.734 11.242 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.881 1.389 9.474 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.567 0.256 10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.213 -1.343 8.868 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.488 -0.714 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.340 1.582 8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.754 2.613 9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.731 2.334 8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.368 -0.877 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.872 0.824 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.577 0.185 7.794 1.00 0.00 H new ATOM 581 N ILE A 48 -5.470 3.250 11.119 1.00 0.00 N ATOM 582 CA ILE A 48 -5.733 4.242 12.114 1.00 0.00 C ATOM 583 C ILE A 48 -7.063 4.892 11.951 1.00 0.00 C ATOM 584 O ILE A 48 -7.583 4.952 10.838 1.00 0.00 O ATOM 585 CB ILE A 48 -4.659 5.287 12.203 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.550 6.175 10.951 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.364 4.563 12.605 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.319 7.080 10.968 1.00 0.00 C ATOM 0 H ILE A 48 -4.840 3.548 10.374 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.741 3.690 13.054 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.906 6.024 12.967 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.517 5.542 10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.446 6.790 10.869 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.552 5.286 12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.506 4.072 13.568 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.115 3.817 11.850 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.297 7.682 10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.362 7.736 11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.418 6.468 11.020 1.00 0.00 H new ATOM 643 N ALA A 52 -6.142 8.711 5.220 1.00 0.00 N ATOM 644 CA ALA A 52 -6.408 8.488 3.833 1.00 0.00 C ATOM 645 C ALA A 52 -6.653 7.062 3.475 1.00 0.00 C ATOM 646 O ALA A 52 -7.522 6.743 2.666 1.00 0.00 O ATOM 647 CB ALA A 52 -5.193 9.051 3.076 1.00 0.00 C ATOM 0 HA ALA A 52 -7.338 8.986 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.335 8.911 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.090 10.114 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.291 8.527 3.394 1.00 0.00 H new ATOM 653 N ALA A 53 -5.920 6.127 4.105 1.00 0.00 N ATOM 654 CA ALA A 53 -6.022 4.720 3.867 1.00 0.00 C ATOM 655 C ALA A 53 -7.264 4.092 4.400 1.00 0.00 C ATOM 656 O ALA A 53 -7.918 3.286 3.740 1.00 0.00 O ATOM 657 CB ALA A 53 -4.773 4.050 4.463 1.00 0.00 C ATOM 0 H ALA A 53 -5.224 6.362 4.813 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.081 4.571 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.823 2.974 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.881 4.451 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.729 4.250 5.534 1.00 0.00 H new ATOM 663 N GLU A 54 -7.697 4.495 5.608 1.00 0.00 N ATOM 664 CA GLU A 54 -8.980 4.180 6.154 1.00 0.00 C ATOM 665 C GLU A 54 -10.086 4.732 5.322 1.00 0.00 C ATOM 666 O GLU A 54 -11.187 4.192 5.232 1.00 0.00 O ATOM 667 CB GLU A 54 -9.072 4.763 7.574 1.00 0.00 C ATOM 668 CG GLU A 54 -10.375 4.517 8.337 1.00 0.00 C ATOM 669 CD GLU A 54 -10.735 3.067 8.632 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.195 2.346 7.707 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.644 2.656 9.819 1.00 0.00 O ATOM 0 H GLU A 54 -7.127 5.066 6.232 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.087 3.095 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.251 4.354 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.914 5.840 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.320 5.053 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.191 4.960 7.767 1.00 0.00 H new ATOM 678 N SER A 55 -9.819 5.850 4.623 1.00 0.00 N ATOM 679 CA SER A 55 -10.786 6.495 3.791 1.00 0.00 C ATOM 680 C SER A 55 -11.110 5.812 2.506 1.00 0.00 C ATOM 681 O SER A 55 -12.109 6.178 1.888 1.00 0.00 O ATOM 682 CB SER A 55 -10.391 7.948 3.477 1.00 0.00 C ATOM 683 OG SER A 55 -11.507 8.762 3.148 1.00 0.00 O ATOM 0 H SER A 55 -8.912 6.315 4.637 1.00 0.00 H new ATOM 0 HA SER A 55 -11.688 6.450 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.877 8.374 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.684 7.956 2.648 1.00 0.00 H new ATOM 0 HG SER A 55 -12.156 8.236 2.636 1.00 0.00 H new ATOM 689 N ASP A 56 -10.359 4.806 2.027 1.00 0.00 N ATOM 690 CA ASP A 56 -10.674 4.076 0.838 1.00 0.00 C ATOM 691 C ASP A 56 -11.943 3.316 1.016 1.00 0.00 C ATOM 692 O ASP A 56 -13.029 3.781 0.672 1.00 0.00 O ATOM 693 CB ASP A 56 -9.480 3.174 0.482 1.00 0.00 C ATOM 694 CG ASP A 56 -9.786 2.160 -0.610 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.144 2.566 -1.748 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.762 0.946 -0.273 1.00 0.00 O ATOM 0 H ASP A 56 -9.503 4.489 2.482 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.842 4.756 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.646 3.799 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.156 2.644 1.378 1.00 0.00 H new ATOM 701 N GLY A 57 -11.869 2.104 1.595 1.00 0.00 N ATOM 702 CA GLY A 57 -13.060 1.395 1.949 1.00 0.00 C ATOM 703 C GLY A 57 -12.838 -0.078 1.949 1.00 0.00 C ATOM 704 O GLY A 57 -13.488 -0.824 2.681 1.00 0.00 O ATOM 0 H GLY A 57 -10.998 1.620 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.395 1.714 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.856 1.644 1.247 1.00 0.00 H new ATOM 708 N ARG A 58 -11.919 -0.558 1.093 1.00 0.00 N ATOM 709 CA ARG A 58 -11.671 -1.959 0.948 1.00 0.00 C ATOM 710 C ARG A 58 -10.722 -2.451 1.987 1.00 0.00 C ATOM 711 O ARG A 58 -10.957 -3.506 2.574 1.00 0.00 O ATOM 712 CB ARG A 58 -11.134 -2.263 -0.460 1.00 0.00 C ATOM 713 CG ARG A 58 -12.026 -1.774 -1.604 1.00 0.00 C ATOM 714 CD ARG A 58 -11.631 -0.397 -2.140 1.00 0.00 C ATOM 715 NE ARG A 58 -12.300 -0.191 -3.456 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.727 0.547 -4.452 1.00 0.00 C ATOM 717 NH1 ARG A 58 -10.618 1.309 -4.227 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.263 0.522 -5.707 1.00 0.00 N ATOM 0 H ARG A 58 -11.341 0.032 0.494 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.616 -2.485 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.149 -1.807 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.999 -3.340 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.987 -2.497 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.059 -1.738 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.928 0.382 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.549 -0.330 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.214 -0.614 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.198 1.336 -3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.209 1.851 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.088 -0.046 -5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.838 1.072 -6.454 1.00 0.00 H new ATOM 732 N ILE A 59 -9.643 -1.698 2.264 1.00 0.00 N ATOM 733 CA ILE A 59 -8.613 -2.058 3.188 1.00 0.00 C ATOM 734 C ILE A 59 -9.070 -2.143 4.604 1.00 0.00 C ATOM 735 O ILE A 59 -9.725 -1.229 5.102 1.00 0.00 O ATOM 736 CB ILE A 59 -7.424 -1.143 3.206 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.434 -0.043 2.131 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.169 -2.030 3.159 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.274 0.937 2.297 1.00 0.00 C ATOM 0 H ILE A 59 -9.481 -0.793 1.822 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.328 -3.037 2.804 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.445 -0.558 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.381 -0.502 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.377 0.501 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.279 -1.401 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.158 -2.691 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.180 -2.627 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.323 1.695 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.340 1.417 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.329 0.399 2.221 1.00 0.00 H new ATOM 751 N HIS A 60 -8.666 -3.209 5.318 1.00 0.00 N ATOM 752 CA HIS A 60 -8.737 -3.278 6.744 1.00 0.00 C ATOM 753 C HIS A 60 -7.430 -3.795 7.239 1.00 0.00 C ATOM 754 O HIS A 60 -6.463 -3.913 6.488 1.00 0.00 O ATOM 755 CB HIS A 60 -9.946 -4.077 7.260 1.00 0.00 C ATOM 756 CG HIS A 60 -9.973 -5.514 6.831 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.041 -6.518 7.775 1.00 0.00 N ATOM 758 CD2 HIS A 60 -9.875 -6.037 5.579 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.950 -7.639 7.084 1.00 0.00 C ATOM 760 NE2 HIS A 60 -9.850 -7.406 5.748 1.00 0.00 N ATOM 0 H HIS A 60 -8.278 -4.049 4.889 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.909 -2.280 7.147 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.954 -4.036 8.349 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.859 -3.591 6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.827 -5.494 4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.954 -8.624 7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.772 -8.108 5.012 1.00 0.00 H new ATOM 768 N LYS A 61 -7.291 -4.093 8.543 1.00 0.00 N ATOM 769 CA LYS A 61 -6.040 -4.559 9.058 1.00 0.00 C ATOM 770 C LYS A 61 -5.875 -6.029 8.883 1.00 0.00 C ATOM 771 O LYS A 61 -6.670 -6.853 9.332 1.00 0.00 O ATOM 772 CB LYS A 61 -5.783 -4.114 10.507 1.00 0.00 C ATOM 773 CG LYS A 61 -6.845 -4.462 11.551 1.00 0.00 C ATOM 774 CD LYS A 61 -6.435 -3.932 12.926 1.00 0.00 C ATOM 775 CE LYS A 61 -7.521 -3.948 14.003 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.003 -5.322 14.268 1.00 0.00 N ATOM 0 H LYS A 61 -8.036 -4.013 9.235 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.269 -4.078 8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.838 -4.550 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.652 -3.032 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.804 -4.033 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.979 -5.543 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.589 -4.520 13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.083 -2.907 12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.128 -3.515 14.923 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.356 -3.323 13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.738 -5.296 15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.400 -5.725 13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.210 -5.912 14.592 1.00 0.00 H new ATOM 790 N GLY A 62 -4.798 -6.430 8.185 1.00 0.00 N ATOM 791 CA GLY A 62 -4.619 -7.780 7.750 1.00 0.00 C ATOM 792 C GLY A 62 -4.145 -7.864 6.339 1.00 0.00 C ATOM 793 O GLY A 62 -3.450 -8.815 5.988 1.00 0.00 O ATOM 0 H GLY A 62 -4.037 -5.805 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.901 -8.277 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.562 -8.318 7.846 1.00 0.00 H new ATOM 797 N ASP A 63 -4.528 -6.891 5.493 1.00 0.00 N ATOM 798 CA ASP A 63 -4.279 -6.925 4.085 1.00 0.00 C ATOM 799 C ASP A 63 -2.856 -6.679 3.721 1.00 0.00 C ATOM 800 O ASP A 63 -2.036 -6.188 4.496 1.00 0.00 O ATOM 801 CB ASP A 63 -5.166 -5.922 3.329 1.00 0.00 C ATOM 802 CG ASP A 63 -6.634 -6.311 3.424 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.964 -7.491 3.129 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.457 -5.425 3.778 1.00 0.00 O ATOM 0 H ASP A 63 -5.026 -6.055 5.798 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.527 -7.943 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.024 -4.923 3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.864 -5.881 2.282 1.00 0.00 H new ATOM 809 N ARG A 64 -2.508 -7.050 2.475 1.00 0.00 N ATOM 810 CA ARG A 64 -1.168 -7.017 1.976 1.00 0.00 C ATOM 811 C ARG A 64 -1.001 -5.863 1.048 1.00 0.00 C ATOM 812 O ARG A 64 -1.776 -5.702 0.107 1.00 0.00 O ATOM 813 CB ARG A 64 -0.920 -8.320 1.198 1.00 0.00 C ATOM 814 CG ARG A 64 0.465 -8.418 0.554 1.00 0.00 C ATOM 815 CD ARG A 64 0.601 -9.504 -0.514 1.00 0.00 C ATOM 816 NE ARG A 64 2.014 -9.452 -0.985 1.00 0.00 N ATOM 817 CZ ARG A 64 2.454 -10.139 -2.079 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.623 -10.934 -2.814 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.761 -10.033 -2.460 1.00 0.00 N ATOM 0 H ARG A 64 -3.185 -7.385 1.790 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.465 -6.915 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.053 -9.164 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.677 -8.414 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.711 -7.455 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.201 -8.603 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.364 -10.485 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.090 -9.328 -1.338 1.00 0.00 H new ATOM 0 HE ARG A 64 2.680 -8.879 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.642 -11.028 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.983 -11.434 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.401 -9.443 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.097 -10.543 -3.277 1.00 0.00 H new ATOM 833 N VAL A 65 0.041 -5.032 1.231 1.00 0.00 N ATOM 834 CA VAL A 65 0.463 -4.051 0.280 1.00 0.00 C ATOM 835 C VAL A 65 1.666 -4.580 -0.424 1.00 0.00 C ATOM 836 O VAL A 65 2.718 -4.849 0.153 1.00 0.00 O ATOM 837 CB VAL A 65 0.594 -2.667 0.843 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.909 -2.700 2.348 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.582 -1.787 0.059 1.00 0.00 C ATOM 0 H VAL A 65 0.612 -5.044 2.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.320 -3.897 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.379 -2.191 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.997 -1.681 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.106 -3.213 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.848 -3.230 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.631 -0.799 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.571 -2.245 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.245 -1.692 -0.973 1.00 0.00 H new ATOM 849 N LEU A 66 1.532 -4.829 -1.739 1.00 0.00 N ATOM 850 CA LEU A 66 2.551 -5.386 -2.571 1.00 0.00 C ATOM 851 C LEU A 66 3.297 -4.359 -3.352 1.00 0.00 C ATOM 852 O LEU A 66 4.482 -4.548 -3.620 1.00 0.00 O ATOM 853 CB LEU A 66 2.035 -6.479 -3.524 1.00 0.00 C ATOM 854 CG LEU A 66 0.796 -6.161 -4.378 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.847 -6.929 -5.709 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.496 -6.557 -3.643 1.00 0.00 C ATOM 0 H LEU A 66 0.669 -4.632 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 66 3.240 -5.850 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.848 -6.745 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.813 -7.365 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 66 0.797 -5.087 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.038 -6.692 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.741 -6.640 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.874 -8.000 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.357 -6.322 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.482 -7.626 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.566 -6.004 -2.706 1.00 0.00 H new ATOM 868 N ALA A 67 2.664 -3.243 -3.758 1.00 0.00 N ATOM 869 CA ALA A 67 3.372 -2.273 -4.534 1.00 0.00 C ATOM 870 C ALA A 67 2.904 -0.887 -4.251 1.00 0.00 C ATOM 871 O ALA A 67 1.810 -0.680 -3.731 1.00 0.00 O ATOM 872 CB ALA A 67 3.256 -2.570 -6.039 1.00 0.00 C ATOM 0 H ALA A 67 1.690 -3.016 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 67 4.420 -2.343 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.805 -1.815 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.674 -3.554 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.207 -2.551 -6.334 1.00 0.00 H new ATOM 878 N VAL A 68 3.735 0.124 -4.566 1.00 0.00 N ATOM 879 CA VAL A 68 3.416 1.495 -4.319 1.00 0.00 C ATOM 880 C VAL A 68 3.774 2.333 -5.499 1.00 0.00 C ATOM 881 O VAL A 68 4.907 2.249 -5.969 1.00 0.00 O ATOM 882 CB VAL A 68 4.127 2.055 -3.124 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.447 3.378 -2.733 1.00 0.00 C ATOM 884 CG2 VAL A 68 4.080 1.078 -1.936 1.00 0.00 C ATOM 0 H VAL A 68 4.647 -0.015 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 68 2.343 1.522 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 68 5.174 2.219 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.950 3.803 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.508 4.078 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.401 3.192 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.604 1.514 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.042 0.887 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.560 0.141 -2.217 1.00 0.00 H new ATOM 894 N ASN A 69 2.866 3.142 -6.073 1.00 0.00 N ATOM 895 CA ASN A 69 3.095 3.887 -7.272 1.00 0.00 C ATOM 896 C ASN A 69 3.454 3.064 -8.461 1.00 0.00 C ATOM 897 O ASN A 69 4.066 3.556 -9.408 1.00 0.00 O ATOM 898 CB ASN A 69 4.121 5.019 -7.098 1.00 0.00 C ATOM 899 CG ASN A 69 3.759 5.942 -5.944 1.00 0.00 C ATOM 900 OD1 ASN A 69 4.397 5.934 -4.892 1.00 0.00 O ATOM 901 ND2 ASN A 69 2.713 6.787 -6.147 1.00 0.00 N ATOM 0 H ASN A 69 1.933 3.283 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 69 2.118 4.327 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.108 4.590 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.183 5.598 -8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.436 7.441 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.206 6.767 -7.032 1.00 0.00 H new ATOM 908 N GLY A 70 3.102 1.766 -8.462 1.00 0.00 N ATOM 909 CA GLY A 70 3.508 0.815 -9.449 1.00 0.00 C ATOM 910 C GLY A 70 4.773 0.097 -9.124 1.00 0.00 C ATOM 911 O GLY A 70 5.198 -0.788 -9.864 1.00 0.00 O ATOM 0 H GLY A 70 2.506 1.361 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.712 0.083 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.630 1.328 -10.403 1.00 0.00 H new ATOM 915 N VAL A 71 5.422 0.442 -7.997 1.00 0.00 N ATOM 916 CA VAL A 71 6.711 -0.040 -7.610 1.00 0.00 C ATOM 917 C VAL A 71 6.528 -1.146 -6.630 1.00 0.00 C ATOM 918 O VAL A 71 6.211 -0.939 -5.460 1.00 0.00 O ATOM 919 CB VAL A 71 7.628 0.988 -7.015 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.047 0.406 -6.890 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.664 2.228 -7.925 1.00 0.00 C ATOM 0 H VAL A 71 5.025 1.093 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 71 7.196 -0.368 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 71 7.264 1.268 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.711 1.155 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.024 -0.473 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.413 0.124 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.330 2.976 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.028 1.944 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.660 2.644 -8.014 1.00 0.00 H new ATOM 931 N SER A 72 6.698 -2.396 -7.100 1.00 0.00 N ATOM 932 CA SER A 72 6.604 -3.595 -6.328 1.00 0.00 C ATOM 933 C SER A 72 7.629 -3.680 -5.249 1.00 0.00 C ATOM 934 O SER A 72 8.780 -3.281 -5.418 1.00 0.00 O ATOM 935 CB SER A 72 6.705 -4.846 -7.218 1.00 0.00 C ATOM 936 OG SER A 72 6.369 -6.044 -6.534 1.00 0.00 O ATOM 0 H SER A 72 6.914 -2.578 -8.080 1.00 0.00 H new ATOM 0 HA SER A 72 5.623 -3.558 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.045 -4.728 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.721 -4.928 -7.605 1.00 0.00 H new ATOM 0 HG SER A 72 6.890 -6.788 -6.902 1.00 0.00 H new ATOM 942 N LEU A 73 7.242 -4.205 -4.073 1.00 0.00 N ATOM 943 CA LEU A 73 8.101 -4.367 -2.941 1.00 0.00 C ATOM 944 C LEU A 73 8.944 -5.587 -3.078 1.00 0.00 C ATOM 945 O LEU A 73 8.756 -6.599 -2.404 1.00 0.00 O ATOM 946 CB LEU A 73 7.282 -4.409 -1.640 1.00 0.00 C ATOM 947 CG LEU A 73 6.575 -3.092 -1.278 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.626 -3.283 -0.082 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.535 -1.944 -0.924 1.00 0.00 C ATOM 0 H LEU A 73 6.290 -4.530 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 73 8.767 -3.505 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.532 -5.196 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.944 -4.687 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 73 6.029 -2.818 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.140 -2.336 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.870 -4.027 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.195 -3.622 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.960 -1.051 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.142 -2.229 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.184 -1.737 -1.775 1.00 0.00 H new ATOM 961 N GLU A 74 9.939 -5.525 -3.982 1.00 0.00 N ATOM 962 CA GLU A 74 10.918 -6.546 -4.188 1.00 0.00 C ATOM 963 C GLU A 74 12.097 -6.256 -3.324 1.00 0.00 C ATOM 964 O GLU A 74 12.805 -5.268 -3.516 1.00 0.00 O ATOM 965 CB GLU A 74 11.387 -6.653 -5.649 1.00 0.00 C ATOM 966 CG GLU A 74 10.273 -6.662 -6.697 1.00 0.00 C ATOM 967 CD GLU A 74 9.301 -7.830 -6.606 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.528 -8.813 -5.851 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.261 -7.764 -7.314 1.00 0.00 O ATOM 0 H GLU A 74 10.066 -4.723 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 74 10.452 -7.497 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.055 -5.818 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.973 -7.565 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.708 -5.734 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.729 -6.667 -7.687 1.00 0.00 H new ATOM 976 N GLY A 75 12.333 -7.087 -2.294 1.00 0.00 N ATOM 977 CA GLY A 75 13.387 -6.877 -1.350 1.00 0.00 C ATOM 978 C GLY A 75 13.062 -5.956 -0.226 1.00 0.00 C ATOM 979 O GLY A 75 13.881 -5.765 0.672 1.00 0.00 O ATOM 0 H GLY A 75 11.779 -7.924 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.678 -7.842 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.254 -6.484 -1.880 1.00 0.00 H new ATOM 983 N ALA A 76 11.869 -5.335 -0.208 1.00 0.00 N ATOM 984 CA ALA A 76 11.561 -4.317 0.747 1.00 0.00 C ATOM 985 C ALA A 76 11.230 -4.820 2.110 1.00 0.00 C ATOM 986 O ALA A 76 10.480 -5.770 2.328 1.00 0.00 O ATOM 987 CB ALA A 76 10.482 -3.345 0.242 1.00 0.00 C ATOM 0 H ALA A 76 11.112 -5.540 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 76 12.495 -3.766 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.285 -2.592 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.829 -2.857 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.566 -3.896 0.031 1.00 0.00 H new ATOM 993 N THR A 77 11.847 -4.178 3.119 1.00 0.00 N ATOM 994 CA THR A 77 11.892 -4.559 4.496 1.00 0.00 C ATOM 995 C THR A 77 10.887 -3.778 5.271 1.00 0.00 C ATOM 996 O THR A 77 9.937 -3.248 4.697 1.00 0.00 O ATOM 997 CB THR A 77 13.260 -4.267 5.039 1.00 0.00 C ATOM 998 OG1 THR A 77 13.588 -2.889 4.952 1.00 0.00 O ATOM 999 CG2 THR A 77 14.308 -4.988 4.174 1.00 0.00 C ATOM 0 H THR A 77 12.361 -3.313 2.952 1.00 0.00 H new ATOM 0 HA THR A 77 11.670 -5.623 4.584 1.00 0.00 H new ATOM 0 HB THR A 77 13.259 -4.592 6.079 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.485 -2.743 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.305 -4.781 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.125 -6.062 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.238 -4.633 3.146 1.00 0.00 H new ATOM 1007 N HIS A 78 11.054 -3.590 6.591 1.00 0.00 N ATOM 1008 CA HIS A 78 10.258 -2.650 7.318 1.00 0.00 C ATOM 1009 C HIS A 78 10.646 -1.249 6.991 1.00 0.00 C ATOM 1010 O HIS A 78 9.793 -0.423 6.670 1.00 0.00 O ATOM 1011 CB HIS A 78 10.325 -2.812 8.846 1.00 0.00 C ATOM 1012 CG HIS A 78 9.471 -1.829 9.591 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.106 -1.936 9.649 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.787 -0.653 10.195 1.00 0.00 C ATOM 1015 CE1 HIS A 78 7.616 -0.890 10.285 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.612 -0.091 10.620 1.00 0.00 N ATOM 0 H HIS A 78 11.741 -4.089 7.156 1.00 0.00 H new ATOM 0 HA HIS A 78 9.236 -2.861 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.015 -3.823 9.110 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.360 -2.701 9.170 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.556 -2.703 9.262 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.777 -0.240 10.317 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.571 -0.716 10.497 1.00 0.00 H new ATOM 1025 N LYS A 79 11.950 -0.925 7.059 1.00 0.00 N ATOM 1026 CA LYS A 79 12.440 0.383 6.756 1.00 0.00 C ATOM 1027 C LYS A 79 12.306 0.738 5.316 1.00 0.00 C ATOM 1028 O LYS A 79 11.853 1.833 4.988 1.00 0.00 O ATOM 1029 CB LYS A 79 13.879 0.611 7.249 1.00 0.00 C ATOM 1030 CG LYS A 79 13.980 0.841 8.759 1.00 0.00 C ATOM 1031 CD LYS A 79 14.385 -0.369 9.601 1.00 0.00 C ATOM 1032 CE LYS A 79 15.807 -0.313 10.164 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.827 -0.394 9.096 1.00 0.00 N ATOM 0 H LYS A 79 12.678 -1.586 7.330 1.00 0.00 H new ATOM 0 HA LYS A 79 11.795 1.062 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.487 -0.252 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.300 1.472 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.701 1.639 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.014 1.199 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.685 -0.467 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.286 -1.267 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.940 0.613 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.952 -1.133 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.776 -0.353 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.717 -1.289 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.706 0.403 8.439 1.00 0.00 H new ATOM 1047 N GLN A 80 12.615 -0.174 4.376 1.00 0.00 N ATOM 1048 CA GLN A 80 12.405 0.072 2.982 1.00 0.00 C ATOM 1049 C GLN A 80 10.970 0.207 2.602 1.00 0.00 C ATOM 1050 O GLN A 80 10.637 1.017 1.737 1.00 0.00 O ATOM 1051 CB GLN A 80 13.100 -1.003 2.129 1.00 0.00 C ATOM 1052 CG GLN A 80 13.493 -0.459 0.753 1.00 0.00 C ATOM 1053 CD GLN A 80 14.070 -1.540 -0.150 1.00 0.00 C ATOM 1054 OE1 GLN A 80 14.882 -2.367 0.262 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.653 -1.546 -1.444 1.00 0.00 N ATOM 0 H GLN A 80 13.014 -1.089 4.584 1.00 0.00 H new ATOM 0 HA GLN A 80 12.858 1.042 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.989 -1.362 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.435 -1.858 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.618 -0.018 0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.226 0.339 0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.979 -0.851 -1.766 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.014 -2.245 -2.093 1.00 0.00 H new ATOM 1064 N ALA A 81 10.032 -0.540 3.211 1.00 0.00 N ATOM 1065 CA ALA A 81 8.637 -0.327 2.985 1.00 0.00 C ATOM 1066 C ALA A 81 8.131 1.016 3.385 1.00 0.00 C ATOM 1067 O ALA A 81 7.356 1.624 2.649 1.00 0.00 O ATOM 1068 CB ALA A 81 7.805 -1.379 3.736 1.00 0.00 C ATOM 0 H ALA A 81 10.242 -1.295 3.863 1.00 0.00 H new ATOM 0 HA ALA A 81 8.524 -0.407 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.745 -1.203 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.073 -2.375 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.006 -1.307 4.805 1.00 0.00 H new ATOM 1074 N VAL A 82 8.585 1.548 4.534 1.00 0.00 N ATOM 1075 CA VAL A 82 8.305 2.887 4.951 1.00 0.00 C ATOM 1076 C VAL A 82 8.737 3.857 3.907 1.00 0.00 C ATOM 1077 O VAL A 82 7.908 4.603 3.388 1.00 0.00 O ATOM 1078 CB VAL A 82 8.935 3.292 6.251 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.844 4.804 6.523 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.231 2.527 7.384 1.00 0.00 C ATOM 0 H VAL A 82 9.165 1.030 5.194 1.00 0.00 H new ATOM 0 HA VAL A 82 7.226 2.905 5.101 1.00 0.00 H new ATOM 0 HB VAL A 82 9.996 3.048 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.318 5.031 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.353 5.348 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.797 5.105 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.673 2.806 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.170 2.777 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.350 1.455 7.228 1.00 0.00 H new ATOM 1090 N GLU A 83 10.019 3.841 3.497 1.00 0.00 N ATOM 1091 CA GLU A 83 10.562 4.669 2.464 1.00 0.00 C ATOM 1092 C GLU A 83 9.782 4.629 1.196 1.00 0.00 C ATOM 1093 O GLU A 83 9.428 5.670 0.644 1.00 0.00 O ATOM 1094 CB GLU A 83 12.031 4.315 2.179 1.00 0.00 C ATOM 1095 CG GLU A 83 12.974 4.629 3.345 1.00 0.00 C ATOM 1096 CD GLU A 83 13.238 6.119 3.515 1.00 0.00 C ATOM 1097 OE1 GLU A 83 13.917 6.726 2.645 1.00 0.00 O ATOM 1098 OE2 GLU A 83 12.821 6.693 4.556 1.00 0.00 O ATOM 0 H GLU A 83 10.713 3.217 3.908 1.00 0.00 H new ATOM 0 HA GLU A 83 10.499 5.687 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.101 3.253 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.363 4.862 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.546 4.234 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.922 4.114 3.187 1.00 0.00 H new ATOM 1105 N THR A 84 9.401 3.432 0.713 1.00 0.00 N ATOM 1106 CA THR A 84 8.640 3.200 -0.475 1.00 0.00 C ATOM 1107 C THR A 84 7.295 3.841 -0.480 1.00 0.00 C ATOM 1108 O THR A 84 6.825 4.301 -1.520 1.00 0.00 O ATOM 1109 CB THR A 84 8.551 1.739 -0.802 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.849 1.164 -0.787 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.033 1.441 -2.219 1.00 0.00 C ATOM 0 H THR A 84 9.644 2.563 1.190 1.00 0.00 H new ATOM 0 HA THR A 84 9.199 3.697 -1.268 1.00 0.00 H new ATOM 0 HB THR A 84 7.866 1.335 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.032 0.793 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.999 0.363 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.032 1.856 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.700 1.893 -2.953 1.00 0.00 H new ATOM 1119 N LEU A 85 6.649 4.012 0.687 1.00 0.00 N ATOM 1120 CA LEU A 85 5.420 4.727 0.839 1.00 0.00 C ATOM 1121 C LEU A 85 5.611 6.181 1.104 1.00 0.00 C ATOM 1122 O LEU A 85 4.874 7.033 0.610 1.00 0.00 O ATOM 1123 CB LEU A 85 4.669 4.156 2.054 1.00 0.00 C ATOM 1124 CG LEU A 85 4.225 2.694 1.875 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.008 1.994 3.226 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.937 2.589 1.042 1.00 0.00 C ATOM 0 H LEU A 85 7.001 3.634 1.567 1.00 0.00 H new ATOM 0 HA LEU A 85 4.876 4.613 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.310 4.227 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.791 4.772 2.250 1.00 0.00 H new ATOM 0 HG LEU A 85 5.034 2.194 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.695 0.964 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.939 2.002 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.236 2.519 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.656 1.541 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.135 3.132 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.106 3.019 0.055 1.00 0.00 H new ATOM 1138 N ARG A 86 6.629 6.529 1.912 1.00 0.00 N ATOM 1139 CA ARG A 86 6.925 7.827 2.431 1.00 0.00 C ATOM 1140 C ARG A 86 7.614 8.741 1.477 1.00 0.00 C ATOM 1141 O ARG A 86 7.350 9.942 1.494 1.00 0.00 O ATOM 1142 CB ARG A 86 7.749 7.577 3.707 1.00 0.00 C ATOM 1143 CG ARG A 86 8.256 8.808 4.462 1.00 0.00 C ATOM 1144 CD ARG A 86 9.688 9.099 4.011 1.00 0.00 C ATOM 1145 NE ARG A 86 10.163 10.360 4.648 1.00 0.00 N ATOM 1146 CZ ARG A 86 9.735 11.615 4.325 1.00 0.00 C ATOM 1147 NH1 ARG A 86 8.885 11.874 3.289 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.179 12.674 5.064 1.00 0.00 N ATOM 0 H ARG A 86 7.306 5.835 2.230 1.00 0.00 H new ATOM 0 HA ARG A 86 5.998 8.363 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.141 6.987 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.611 6.966 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.614 9.666 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.226 8.632 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.342 8.272 4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.727 9.190 2.926 1.00 0.00 H new ATOM 0 HE ARG A 86 10.864 10.278 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.537 11.109 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.598 12.833 3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.820 12.520 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.870 13.619 4.837 1.00 0.00 H new ATOM 1162 N ASN A 87 8.527 8.264 0.612 1.00 0.00 N ATOM 1163 CA ASN A 87 9.364 9.042 -0.248 1.00 0.00 C ATOM 1164 C ASN A 87 8.707 9.618 -1.455 1.00 0.00 C ATOM 1165 O ASN A 87 9.332 10.042 -2.426 1.00 0.00 O ATOM 1166 CB ASN A 87 10.657 8.301 -0.628 1.00 0.00 C ATOM 1167 CG ASN A 87 10.617 7.381 -1.840 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.510 7.402 -2.687 1.00 0.00 O ATOM 1169 ND2 ASN A 87 9.563 6.534 -1.976 1.00 0.00 N ATOM 0 H ASN A 87 8.691 7.263 0.507 1.00 0.00 H new ATOM 0 HA ASN A 87 9.615 9.906 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.433 9.047 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.969 7.709 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.509 5.912 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.826 6.520 -1.271 1.00 0.00 H new ATOM 1176 N THR A 88 7.362 9.611 -1.432 1.00 0.00 N ATOM 1177 CA THR A 88 6.456 9.904 -2.499 1.00 0.00 C ATOM 1178 C THR A 88 6.085 11.348 -2.504 1.00 0.00 C ATOM 1179 O THR A 88 6.219 12.035 -1.493 1.00 0.00 O ATOM 1180 CB THR A 88 5.243 9.042 -2.311 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.697 9.204 -1.010 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.709 7.578 -2.375 1.00 0.00 C ATOM 0 H THR A 88 6.860 9.375 -0.576 1.00 0.00 H new ATOM 0 HA THR A 88 6.926 9.695 -3.460 1.00 0.00 H new ATOM 0 HB THR A 88 4.507 9.309 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.763 8.358 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.852 6.917 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.169 7.385 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.436 7.393 -1.584 1.00 0.00 H new ATOM 1190 N GLY A 89 5.614 11.871 -3.649 1.00 0.00 N ATOM 1191 CA GLY A 89 5.265 13.251 -3.795 1.00 0.00 C ATOM 1192 C GLY A 89 3.986 13.633 -3.133 1.00 0.00 C ATOM 1193 O GLY A 89 3.965 14.465 -2.228 1.00 0.00 O ATOM 0 H GLY A 89 5.472 11.321 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.069 13.862 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.195 13.486 -4.857 1.00 0.00 H new ATOM 1197 N GLN A 90 2.858 13.036 -3.558 1.00 0.00 N ATOM 1198 CA GLN A 90 1.572 13.324 -3.004 1.00 0.00 C ATOM 1199 C GLN A 90 0.670 12.144 -3.116 1.00 0.00 C ATOM 1200 O GLN A 90 0.284 11.561 -2.104 1.00 0.00 O ATOM 1201 CB GLN A 90 0.947 14.580 -3.632 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.371 14.975 -2.966 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.708 16.449 -3.141 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.435 17.086 -4.158 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -1.341 17.028 -2.087 1.00 0.00 N ATOM 0 H GLN A 90 2.839 12.339 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 90 1.709 13.539 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.651 15.409 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.775 14.404 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.177 14.372 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.318 14.744 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.556 16.477 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.601 18.013 -2.127 1.00 0.00 H new ATOM 1214 N VAL A 91 0.313 11.719 -4.342 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.435 10.519 -4.559 1.00 0.00 C ATOM 1216 C VAL A 91 0.400 9.306 -4.335 1.00 0.00 C ATOM 1217 O VAL A 91 1.495 9.135 -4.869 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.089 10.412 -5.904 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.757 9.045 -6.120 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.132 11.539 -6.008 1.00 0.00 C ATOM 0 H VAL A 91 0.549 12.219 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.236 10.577 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.328 10.509 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.216 9.017 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.007 8.258 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.522 8.890 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.627 11.488 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.872 11.424 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.636 12.504 -5.903 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.143 8.395 -3.508 1.00 0.00 N ATOM 1231 CA VAL A 92 0.370 7.085 -3.253 1.00 0.00 C ATOM 1232 C VAL A 92 -0.630 6.100 -3.754 1.00 0.00 C ATOM 1233 O VAL A 92 -1.680 5.886 -3.149 1.00 0.00 O ATOM 1234 CB VAL A 92 0.610 6.937 -1.780 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.039 5.504 -1.425 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.724 7.921 -1.384 1.00 0.00 C ATOM 0 H VAL A 92 -0.996 8.587 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 92 1.318 6.914 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.313 7.149 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.205 5.430 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.256 4.806 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.961 5.259 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.921 7.836 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.631 7.686 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.410 8.939 -1.615 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.355 5.449 -4.899 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.117 4.336 -5.373 1.00 0.00 C ATOM 1248 C HIS A 93 -0.714 3.111 -4.628 1.00 0.00 C ATOM 1249 O HIS A 93 0.370 2.578 -4.861 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.946 4.043 -6.873 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.404 5.138 -7.791 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.637 6.275 -7.950 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.531 5.214 -8.548 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.321 7.035 -8.784 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.479 6.440 -9.179 1.00 0.00 N ATOM 0 H HIS A 93 0.419 5.704 -5.512 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.161 4.604 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.107 3.841 -7.070 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.496 3.133 -7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.307 4.468 -8.637 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.000 8.012 -9.114 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.174 6.826 -9.818 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.554 2.620 -3.700 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.340 1.450 -2.905 1.00 0.00 C ATOM 1265 C LEU A 94 -1.843 0.265 -3.655 1.00 0.00 C ATOM 1266 O LEU A 94 -3.049 0.083 -3.819 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.144 1.521 -1.597 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.578 2.397 -0.466 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.093 1.900 0.896 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.043 2.326 -0.400 1.00 0.00 C ATOM 0 H LEU A 94 -2.444 3.072 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.275 1.378 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.144 1.883 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.255 0.507 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.899 3.417 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.686 2.527 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.182 1.952 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.776 0.868 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.316 2.959 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.266 1.296 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.378 2.673 -1.344 1.00 0.00 H new ATOM 1282 N LEU A 95 -0.939 -0.613 -4.123 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.330 -1.853 -4.718 1.00 0.00 C ATOM 1284 C LEU A 95 -1.501 -2.847 -3.621 1.00 0.00 C ATOM 1285 O LEU A 95 -0.530 -3.360 -3.066 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.279 -2.326 -5.736 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.868 -3.036 -6.967 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.266 -3.703 -7.765 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.978 -4.045 -6.630 1.00 0.00 C ATOM 0 H LEU A 95 0.069 -0.463 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.266 -1.734 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.300 -1.465 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.415 -3.003 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.352 -2.272 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.150 -4.206 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.978 -2.944 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.775 -4.432 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.343 -4.504 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.580 -4.817 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.799 -3.530 -6.131 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.775 -3.091 -3.265 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.192 -3.930 -2.186 1.00 0.00 C ATOM 1303 C LEU A 96 -3.741 -5.216 -2.699 1.00 0.00 C ATOM 1304 O LEU A 96 -4.406 -5.276 -3.731 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.267 -3.222 -1.343 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.761 -2.012 -0.540 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.859 -0.941 -0.415 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.265 -2.436 0.853 1.00 0.00 C ATOM 0 H LEU A 96 -3.562 -2.676 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.320 -4.137 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.069 -2.893 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.701 -3.944 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.919 -1.583 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.478 -0.095 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.154 -0.604 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.724 -1.364 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.914 -1.559 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.082 -2.901 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.447 -3.149 0.747 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.465 -6.310 -1.966 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.003 -7.623 -2.147 1.00 0.00 C ATOM 1322 C GLU A 97 -4.828 -7.905 -0.939 1.00 0.00 C ATOM 1323 O GLU A 97 -4.489 -7.525 0.181 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.887 -8.673 -2.267 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.252 -10.156 -2.153 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.025 -11.014 -1.877 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.088 -11.023 -2.719 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -1.979 -11.650 -0.791 1.00 0.00 O ATOM 0 H GLU A 97 -2.812 -6.271 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.589 -7.672 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.399 -8.527 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.146 -8.456 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.980 -10.292 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.728 -10.486 -3.076 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.961 -8.605 -1.134 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.851 -8.977 -0.080 1.00 0.00 C ATOM 1337 C LYS A 98 -6.327 -10.155 0.667 1.00 0.00 C ATOM 1338 O LYS A 98 -5.961 -11.175 0.084 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.250 -9.312 -0.623 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.060 -8.081 -1.032 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.548 -7.215 0.131 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.595 -7.888 1.022 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.884 -8.028 0.309 1.00 0.00 N ATOM 0 H LYS A 98 -6.266 -8.921 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.925 -8.123 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.148 -9.972 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.803 -9.864 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.450 -7.466 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.924 -8.408 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.692 -6.935 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.968 -6.292 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.238 -8.870 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.738 -7.300 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.601 -8.409 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.191 -7.097 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.767 -8.677 -0.495 1.00 0.00 H new ATOM 1434 N LEU B 206 9.091 -2.312 14.662 1.00 0.00 N ATOM 1435 CA LEU B 206 8.002 -2.509 13.758 1.00 0.00 C ATOM 1436 C LEU B 206 7.092 -1.330 13.691 1.00 0.00 C ATOM 1437 O LEU B 206 7.369 -0.290 14.287 1.00 0.00 O ATOM 1438 CB LEU B 206 7.256 -3.821 14.055 1.00 0.00 C ATOM 1439 CG LEU B 206 6.468 -4.529 12.940 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.381 -4.872 11.751 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.911 -5.820 13.565 1.00 0.00 C ATOM 0 HA LEU B 206 8.428 -2.606 12.759 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.990 -4.532 14.434 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.558 -3.620 14.867 1.00 0.00 H new ATOM 0 HG LEU B 206 5.674 -3.887 12.558 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.798 -5.372 10.977 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.811 -3.956 11.346 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.182 -5.532 12.085 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.339 -6.369 12.817 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.736 -6.439 13.917 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.263 -5.568 14.404 1.00 0.00 H new ATOM 1453 N VAL B 207 5.983 -1.439 12.938 1.00 0.00 N ATOM 1454 CA VAL B 207 4.813 -0.617 12.968 1.00 0.00 C ATOM 1455 C VAL B 207 4.991 0.861 13.016 1.00 0.00 C ATOM 1456 O VAL B 207 5.104 1.504 14.060 1.00 0.00 O ATOM 1457 CB VAL B 207 3.700 -1.099 13.851 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.021 -2.290 13.156 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.181 -1.466 15.265 1.00 0.00 C ATOM 0 H VAL B 207 5.900 -2.177 12.239 1.00 0.00 H new ATOM 0 HA VAL B 207 4.479 -0.781 11.944 1.00 0.00 H new ATOM 0 HB VAL B 207 2.984 -0.290 13.993 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.207 -2.659 13.779 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.624 -1.971 12.192 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.750 -3.086 13.003 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.334 -1.808 15.860 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.925 -2.261 15.202 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.626 -0.590 15.737 1.00 0.00 H new ATOM 1469 N THR B 208 4.998 1.453 11.808 1.00 0.00 N ATOM 1470 CA THR B 208 5.325 2.830 11.606 1.00 0.00 C ATOM 1471 C THR B 208 4.183 3.352 10.803 1.00 0.00 C ATOM 1472 O THR B 208 3.860 2.761 9.773 1.00 0.00 O ATOM 1473 CB THR B 208 6.607 3.025 10.852 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.689 2.450 11.571 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.939 4.510 10.633 1.00 0.00 C ATOM 0 H THR B 208 4.769 0.958 10.946 1.00 0.00 H new ATOM 0 HA THR B 208 5.473 3.341 12.558 1.00 0.00 H new ATOM 0 HB THR B 208 6.470 2.543 9.884 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.927 1.588 11.170 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.876 4.596 10.083 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.139 4.981 10.063 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.038 5.007 11.598 1.00 0.00 H new ATOM 1483 N SER B 209 3.534 4.422 11.292 1.00 0.00 N ATOM 1484 CA SER B 209 2.443 5.107 10.671 1.00 0.00 C ATOM 1485 C SER B 209 2.973 5.912 9.535 1.00 0.00 C ATOM 1486 O SER B 209 3.895 6.709 9.713 1.00 0.00 O ATOM 1487 CB SER B 209 1.678 6.044 11.621 1.00 0.00 C ATOM 1488 OG SER B 209 1.602 5.506 12.933 1.00 0.00 O ATOM 0 H SER B 209 3.791 4.839 12.187 1.00 0.00 H new ATOM 0 HA SER B 209 1.737 4.345 10.342 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.173 7.015 11.653 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.672 6.211 11.236 1.00 0.00 H new ATOM 0 HG SER B 209 1.112 6.126 13.513 1.00 0.00 H new ATOM 1494 N VAL B 210 2.468 5.721 8.304 1.00 0.00 N ATOM 1495 CA VAL B 210 3.138 6.175 7.124 1.00 0.00 C ATOM 1496 C VAL B 210 2.039 6.434 6.104 1.00 0.00 C ATOM 1497 O VAL B 210 0.904 5.909 6.262 1.00 0.00 O ATOM 1498 CB VAL B 210 4.189 5.216 6.650 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.578 3.875 6.210 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.049 5.831 5.532 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.291 7.271 5.197 1.00 0.00 O ATOM 0 H VAL B 210 1.584 5.246 8.124 1.00 0.00 H new ATOM 0 HA VAL B 210 3.705 7.087 7.311 1.00 0.00 H new ATOM 0 HB VAL B 210 4.845 5.013 7.497 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.371 3.207 5.873 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.053 3.421 7.051 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.876 4.045 5.394 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.800 5.109 5.212 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.413 6.092 4.686 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.543 6.728 5.905 1.00 0.00 H new