USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 606 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 22 SER OG : rot 177:sc= 0.683 USER MOD Set 1.2: A 40 SER OG : rot -140:sc= -0.886 USER MOD Single : A 4 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-0.18) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.844 K(o=-0.84,f=-2.2!) USER MOD Single : A 55 ASN : amide:sc= -0.661 K(o=-0.66,f=-5!) USER MOD Single : A 60 MET CE :methyl -159:sc= -0.205 (180deg=-0.881) USER MOD Single : A 62 ASN : amide:sc= -0.0932 K(o=-0.093,f=-1.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -154:sc= -3.17 (180deg=-5.23!) USER MOD Single : A 68 ASN : amide:sc= -0.0894 X(o=-0.089,f=-0.11) USER MOD Single : A 71 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-1.3) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 77 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.27) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Single : A 81 SER OG : rot 110:sc= -0.76 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.76 X(o=-2.8,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 67:sc= -1.7 USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 2.904 5.763 -12.210 1.00 0.00 N ATOM 135 CA GLU A 3 3.171 4.591 -13.036 1.00 0.00 C ATOM 136 C GLU A 3 2.703 3.327 -12.327 1.00 0.00 C ATOM 137 O GLU A 3 2.943 3.156 -11.137 1.00 0.00 O ATOM 138 CB GLU A 3 4.665 4.493 -13.354 1.00 0.00 C ATOM 139 CG GLU A 3 4.957 4.031 -14.773 1.00 0.00 C ATOM 140 CD GLU A 3 6.307 4.504 -15.274 1.00 0.00 C ATOM 141 OE1 GLU A 3 7.328 4.166 -14.639 1.00 0.00 O ATOM 142 OE2 GLU A 3 6.343 5.215 -16.300 1.00 0.00 O ATOM 0 HA GLU A 3 2.620 4.694 -13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.126 5.468 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.133 3.802 -12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.920 2.942 -14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.177 4.400 -15.439 1.00 0.00 H new ATOM 149 N GLN A 4 2.026 2.449 -13.061 1.00 0.00 N ATOM 150 CA GLN A 4 1.512 1.210 -12.487 1.00 0.00 C ATOM 151 C GLN A 4 2.321 0.002 -12.943 1.00 0.00 C ATOM 152 O GLN A 4 2.599 -0.167 -14.130 1.00 0.00 O ATOM 153 CB GLN A 4 0.045 1.018 -12.882 1.00 0.00 C ATOM 154 CG GLN A 4 -0.681 -0.025 -12.049 1.00 0.00 C ATOM 155 CD GLN A 4 -1.763 -0.744 -12.831 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.952 -0.478 -12.655 1.00 0.00 O ATOM 157 NE2 GLN A 4 -1.357 -1.661 -13.699 1.00 0.00 N ATOM 0 H GLN A 4 1.821 2.572 -14.053 1.00 0.00 H new ATOM 0 HA GLN A 4 1.597 1.289 -11.403 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.475 1.971 -12.788 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.005 0.730 -13.932 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.039 -0.754 -11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.126 0.456 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.361 -1.850 -13.813 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.041 -2.177 -14.252 1.00 0.00 H new ATOM 166 N HIS A 5 2.687 -0.837 -11.979 1.00 0.00 N ATOM 167 CA HIS A 5 3.459 -2.041 -12.255 1.00 0.00 C ATOM 168 C HIS A 5 2.849 -3.242 -11.539 1.00 0.00 C ATOM 169 O HIS A 5 2.430 -3.142 -10.382 1.00 0.00 O ATOM 170 CB HIS A 5 4.913 -1.855 -11.818 1.00 0.00 C ATOM 171 CG HIS A 5 5.634 -0.787 -12.580 1.00 0.00 C ATOM 172 ND1 HIS A 5 6.080 0.382 -11.999 1.00 0.00 N ATOM 173 CD2 HIS A 5 5.990 -0.715 -13.884 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.676 1.126 -12.913 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.636 0.483 -14.065 1.00 0.00 N ATOM 0 H HIS A 5 2.459 -0.703 -10.994 1.00 0.00 H new ATOM 0 HA HIS A 5 3.435 -2.224 -13.329 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.936 -1.611 -10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.444 -2.799 -11.940 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.801 -1.461 -14.641 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.121 2.096 -12.746 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.022 0.821 -14.946 1.00 0.00 H new ATOM 184 N THR A 6 2.801 -4.375 -12.231 1.00 0.00 N ATOM 185 CA THR A 6 2.242 -5.596 -11.661 1.00 0.00 C ATOM 186 C THR A 6 3.323 -6.653 -11.475 1.00 0.00 C ATOM 187 O THR A 6 4.000 -7.039 -12.429 1.00 0.00 O ATOM 188 CB THR A 6 1.129 -6.141 -12.559 1.00 0.00 C ATOM 189 OG1 THR A 6 0.582 -5.110 -13.361 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.007 -6.774 -11.787 1.00 0.00 C ATOM 0 H THR A 6 3.142 -4.474 -13.187 1.00 0.00 H new ATOM 0 HA THR A 6 1.824 -5.353 -10.684 1.00 0.00 H new ATOM 0 HB THR A 6 1.602 -6.909 -13.171 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.126 -5.478 -13.929 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.761 -7.139 -12.484 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.374 -7.607 -11.196 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.454 -6.033 -11.124 1.00 0.00 H new ATOM 198 N VAL A 7 3.482 -7.120 -10.241 1.00 0.00 N ATOM 199 CA VAL A 7 4.482 -8.134 -9.930 1.00 0.00 C ATOM 200 C VAL A 7 3.840 -9.360 -9.288 1.00 0.00 C ATOM 201 O VAL A 7 2.906 -9.239 -8.496 1.00 0.00 O ATOM 202 CB VAL A 7 5.568 -7.583 -8.987 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.702 -8.585 -8.833 1.00 0.00 C ATOM 204 CG2 VAL A 7 6.092 -6.250 -9.501 1.00 0.00 C ATOM 0 H VAL A 7 2.931 -6.812 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 7 4.945 -8.422 -10.874 1.00 0.00 H new ATOM 0 HB VAL A 7 5.123 -7.420 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.459 -8.177 -8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.312 -9.514 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.148 -8.782 -9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.859 -5.875 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.521 -6.386 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.273 -5.533 -9.555 1.00 0.00 H new ATOM 214 N THR A 8 4.345 -10.538 -9.637 1.00 0.00 N ATOM 215 CA THR A 8 3.818 -11.786 -9.098 1.00 0.00 C ATOM 216 C THR A 8 4.691 -12.301 -7.957 1.00 0.00 C ATOM 217 O THR A 8 5.859 -12.634 -8.157 1.00 0.00 O ATOM 218 CB THR A 8 3.725 -12.842 -10.200 1.00 0.00 C ATOM 219 OG1 THR A 8 3.518 -12.231 -11.462 1.00 0.00 O ATOM 220 CG2 THR A 8 2.606 -13.837 -9.983 1.00 0.00 C ATOM 0 H THR A 8 5.119 -10.655 -10.291 1.00 0.00 H new ATOM 0 HA THR A 8 2.820 -11.589 -8.706 1.00 0.00 H new ATOM 0 HB THR A 8 4.675 -13.376 -10.170 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.463 -12.922 -12.155 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.596 -14.558 -10.801 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.762 -14.360 -9.040 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.652 -13.311 -9.952 1.00 0.00 H new ATOM 228 N LEU A 9 4.114 -12.365 -6.762 1.00 0.00 N ATOM 229 CA LEU A 9 4.837 -12.841 -5.587 1.00 0.00 C ATOM 230 C LEU A 9 4.417 -14.265 -5.234 1.00 0.00 C ATOM 231 O LEU A 9 3.298 -14.497 -4.776 1.00 0.00 O ATOM 232 CB LEU A 9 4.591 -11.913 -4.396 1.00 0.00 C ATOM 233 CG LEU A 9 4.589 -10.419 -4.726 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.602 -9.677 -3.837 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.986 -9.838 -4.575 1.00 0.00 C ATOM 0 H LEU A 9 3.148 -12.093 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 9 5.902 -12.841 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.632 -12.171 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.357 -12.102 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 9 4.276 -10.296 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.614 -8.616 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.600 -10.075 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.884 -9.808 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.966 -8.775 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.327 -9.973 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.668 -10.349 -5.254 1.00 0.00 H new ATOM 247 N HIS A 10 5.322 -15.214 -5.454 1.00 0.00 N ATOM 248 CA HIS A 10 5.045 -16.616 -5.161 1.00 0.00 C ATOM 249 C HIS A 10 4.871 -16.837 -3.663 1.00 0.00 C ATOM 250 O HIS A 10 5.828 -16.738 -2.895 1.00 0.00 O ATOM 251 CB HIS A 10 6.175 -17.500 -5.690 1.00 0.00 C ATOM 252 CG HIS A 10 6.364 -17.407 -7.172 1.00 0.00 C ATOM 253 ND1 HIS A 10 6.970 -18.396 -7.918 1.00 0.00 N ATOM 254 CD2 HIS A 10 6.023 -16.433 -8.049 1.00 0.00 C ATOM 255 CE1 HIS A 10 6.993 -18.035 -9.188 1.00 0.00 C ATOM 256 NE2 HIS A 10 6.425 -16.849 -9.295 1.00 0.00 N ATOM 0 H HIS A 10 6.252 -15.038 -5.834 1.00 0.00 H new ATOM 0 HA HIS A 10 4.114 -16.888 -5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.105 -17.221 -5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.970 -18.537 -5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.528 -15.503 -7.813 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.407 -18.613 -10.001 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.304 -16.326 -10.162 1.00 0.00 H new ATOM 265 N ARG A 11 3.642 -17.137 -3.254 1.00 0.00 N ATOM 266 CA ARG A 11 3.342 -17.374 -1.847 1.00 0.00 C ATOM 267 C ARG A 11 4.163 -18.542 -1.307 1.00 0.00 C ATOM 268 O ARG A 11 4.070 -19.663 -1.807 1.00 0.00 O ATOM 269 CB ARG A 11 1.849 -17.654 -1.663 1.00 0.00 C ATOM 270 CG ARG A 11 1.023 -16.404 -1.407 1.00 0.00 C ATOM 271 CD ARG A 11 0.491 -16.368 0.017 1.00 0.00 C ATOM 272 NE ARG A 11 -0.752 -17.120 0.157 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.221 -17.570 1.319 1.00 0.00 C ATOM 274 NH1 ARG A 11 -0.556 -17.343 2.444 1.00 0.00 N ATOM 275 NH2 ARG A 11 -2.359 -18.249 1.354 1.00 0.00 N ATOM 0 H ARG A 11 2.839 -17.222 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 11 3.607 -16.477 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.469 -18.154 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.717 -18.344 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.633 -15.520 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.190 -16.368 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.240 -16.778 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.324 -15.333 0.315 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.294 -17.312 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.320 -16.821 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.921 -17.690 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.874 -18.426 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.720 -18.594 2.243 1.00 0.00 H new ATOM 289 N ALA A 12 4.969 -18.270 -0.284 1.00 0.00 N ATOM 290 CA ALA A 12 5.807 -19.297 0.321 1.00 0.00 C ATOM 291 C ALA A 12 5.323 -19.647 1.726 1.00 0.00 C ATOM 292 O ALA A 12 4.624 -18.861 2.365 1.00 0.00 O ATOM 293 CB ALA A 12 7.256 -18.837 0.361 1.00 0.00 C ATOM 0 H ALA A 12 5.058 -17.347 0.142 1.00 0.00 H new ATOM 0 HA ALA A 12 5.737 -20.195 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.872 -19.613 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.605 -18.645 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.331 -17.923 0.950 1.00 0.00 H new ATOM 299 N PRO A 13 5.692 -20.839 2.226 1.00 0.00 N ATOM 300 CA PRO A 13 5.293 -21.293 3.562 1.00 0.00 C ATOM 301 C PRO A 13 6.040 -20.559 4.671 1.00 0.00 C ATOM 302 O PRO A 13 7.199 -20.182 4.508 1.00 0.00 O ATOM 303 CB PRO A 13 5.668 -22.775 3.555 1.00 0.00 C ATOM 304 CG PRO A 13 6.795 -22.873 2.587 1.00 0.00 C ATOM 305 CD PRO A 13 6.527 -21.837 1.529 1.00 0.00 C ATOM 0 HA PRO A 13 4.238 -21.106 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.967 -23.113 4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.826 -23.395 3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.749 -22.689 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.849 -23.871 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.451 -21.396 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.009 -22.265 0.671 1.00 0.00 H new ATOM 313 N GLY A 14 5.365 -20.360 5.799 1.00 0.00 N ATOM 314 CA GLY A 14 5.981 -19.672 6.918 1.00 0.00 C ATOM 315 C GLY A 14 5.641 -18.195 6.951 1.00 0.00 C ATOM 316 O GLY A 14 5.615 -17.580 8.016 1.00 0.00 O ATOM 0 H GLY A 14 4.404 -20.663 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.657 -20.137 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.063 -19.791 6.862 1.00 0.00 H new ATOM 320 N PHE A 15 5.381 -17.624 5.778 1.00 0.00 N ATOM 321 CA PHE A 15 5.041 -16.210 5.675 1.00 0.00 C ATOM 322 C PHE A 15 3.855 -16.004 4.740 1.00 0.00 C ATOM 323 O PHE A 15 2.806 -15.508 5.152 1.00 0.00 O ATOM 324 CB PHE A 15 6.246 -15.411 5.175 1.00 0.00 C ATOM 325 CG PHE A 15 7.439 -15.494 6.084 1.00 0.00 C ATOM 326 CD1 PHE A 15 7.422 -14.882 7.328 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.577 -16.183 5.695 1.00 0.00 C ATOM 328 CE1 PHE A 15 8.519 -14.956 8.167 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.676 -16.260 6.529 1.00 0.00 C ATOM 330 CZ PHE A 15 9.647 -15.646 7.767 1.00 0.00 C ATOM 0 H PHE A 15 5.400 -18.119 4.887 1.00 0.00 H new ATOM 0 HA PHE A 15 4.764 -15.854 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.527 -15.773 4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.957 -14.366 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.542 -14.342 7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.605 -16.665 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.494 -14.475 9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.557 -16.799 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.505 -15.706 8.421 1.00 0.00 H new ATOM 340 N GLY A 16 4.028 -16.388 3.479 1.00 0.00 N ATOM 341 CA GLY A 16 2.963 -16.238 2.506 1.00 0.00 C ATOM 342 C GLY A 16 3.209 -15.090 1.547 1.00 0.00 C ATOM 343 O GLY A 16 3.904 -15.248 0.543 1.00 0.00 O ATOM 0 H GLY A 16 4.887 -16.800 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.859 -17.164 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.020 -16.076 3.027 1.00 0.00 H new ATOM 347 N PHE A 17 2.638 -13.931 1.856 1.00 0.00 N ATOM 348 CA PHE A 17 2.800 -12.749 1.013 1.00 0.00 C ATOM 349 C PHE A 17 3.891 -11.834 1.561 1.00 0.00 C ATOM 350 O PHE A 17 4.644 -11.226 0.802 1.00 0.00 O ATOM 351 CB PHE A 17 1.479 -11.972 0.887 1.00 0.00 C ATOM 352 CG PHE A 17 0.485 -12.260 1.978 1.00 0.00 C ATOM 353 CD1 PHE A 17 0.715 -11.834 3.276 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.680 -12.959 1.702 1.00 0.00 C ATOM 355 CE1 PHE A 17 -0.198 -12.099 4.279 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.596 -13.227 2.701 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.355 -12.796 3.992 1.00 0.00 C ATOM 0 H PHE A 17 2.059 -13.783 2.683 1.00 0.00 H new ATOM 0 HA PHE A 17 3.096 -13.092 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.698 -10.904 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.023 -12.207 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.618 -11.289 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.874 -13.298 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.007 -11.761 5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.500 -13.773 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.070 -13.004 4.774 1.00 0.00 H new ATOM 367 N GLY A 18 3.973 -11.746 2.884 1.00 0.00 N ATOM 368 CA GLY A 18 4.978 -10.905 3.510 1.00 0.00 C ATOM 369 C GLY A 18 4.533 -9.460 3.659 1.00 0.00 C ATOM 370 O GLY A 18 5.273 -8.633 4.191 1.00 0.00 O ATOM 0 H GLY A 18 3.363 -12.241 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.220 -11.308 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.892 -10.939 2.918 1.00 0.00 H new ATOM 374 N ILE A 19 3.327 -9.151 3.189 1.00 0.00 N ATOM 375 CA ILE A 19 2.799 -7.794 3.277 1.00 0.00 C ATOM 376 C ILE A 19 1.426 -7.775 3.939 1.00 0.00 C ATOM 377 O ILE A 19 0.707 -8.774 3.931 1.00 0.00 O ATOM 378 CB ILE A 19 2.691 -7.139 1.886 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.095 -8.122 0.876 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.055 -6.654 1.420 1.00 0.00 C ATOM 381 CD1 ILE A 19 1.264 -7.454 -0.199 1.00 0.00 C ATOM 0 H ILE A 19 2.699 -9.821 2.745 1.00 0.00 H new ATOM 0 HA ILE A 19 3.501 -7.226 3.887 1.00 0.00 H new ATOM 0 HB ILE A 19 2.027 -6.278 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.903 -8.681 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.475 -8.845 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.961 -6.194 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.442 -5.921 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.741 -7.499 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.873 -8.211 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.435 -6.918 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.885 -6.752 -0.755 1.00 0.00 H new ATOM 393 N ALA A 20 1.067 -6.628 4.508 1.00 0.00 N ATOM 394 CA ALA A 20 -0.222 -6.474 5.172 1.00 0.00 C ATOM 395 C ALA A 20 -1.022 -5.332 4.555 1.00 0.00 C ATOM 396 O ALA A 20 -0.597 -4.177 4.583 1.00 0.00 O ATOM 397 CB ALA A 20 -0.024 -6.237 6.662 1.00 0.00 C ATOM 0 H ALA A 20 1.651 -5.792 4.522 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.787 -7.396 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.995 -6.124 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.502 -7.086 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.563 -5.331 6.811 1.00 0.00 H new ATOM 403 N ILE A 21 -2.181 -5.662 3.996 1.00 0.00 N ATOM 404 CA ILE A 21 -3.040 -4.665 3.369 1.00 0.00 C ATOM 405 C ILE A 21 -3.786 -3.845 4.415 1.00 0.00 C ATOM 406 O ILE A 21 -4.059 -4.323 5.516 1.00 0.00 O ATOM 407 CB ILE A 21 -4.062 -5.319 2.420 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.946 -6.307 3.186 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.348 -6.017 1.272 1.00 0.00 C ATOM 410 CD1 ILE A 21 -6.314 -5.757 3.526 1.00 0.00 C ATOM 0 H ILE A 21 -2.547 -6.613 3.964 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.390 -4.007 2.792 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.700 -4.539 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.065 -7.212 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.440 -6.596 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.084 -6.474 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.760 -5.289 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.688 -6.788 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.885 -6.511 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.205 -4.868 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.839 -5.495 2.608 1.00 0.00 H new ATOM 422 N SER A 22 -4.115 -2.605 4.063 1.00 0.00 N ATOM 423 CA SER A 22 -4.832 -1.717 4.970 1.00 0.00 C ATOM 424 C SER A 22 -5.871 -0.894 4.217 1.00 0.00 C ATOM 425 O SER A 22 -5.585 -0.335 3.157 1.00 0.00 O ATOM 426 CB SER A 22 -3.852 -0.789 5.689 1.00 0.00 C ATOM 427 OG SER A 22 -4.284 -0.512 7.010 1.00 0.00 O ATOM 0 H SER A 22 -3.896 -2.193 3.156 1.00 0.00 H new ATOM 0 HA SER A 22 -5.348 -2.331 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.864 -1.249 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.755 0.143 5.132 1.00 0.00 H new ATOM 0 HG SER A 22 -3.617 0.046 7.462 1.00 0.00 H new ATOM 433 N GLY A 23 -7.077 -0.823 4.771 1.00 0.00 N ATOM 434 CA GLY A 23 -8.142 -0.066 4.139 1.00 0.00 C ATOM 435 C GLY A 23 -9.486 -0.763 4.240 1.00 0.00 C ATOM 436 O GLY A 23 -9.774 -1.426 5.236 1.00 0.00 O ATOM 0 H GLY A 23 -7.336 -1.277 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.210 0.918 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.897 0.094 3.089 1.00 0.00 H new ATOM 440 N GLY A 24 -10.307 -0.616 3.205 1.00 0.00 N ATOM 441 CA GLY A 24 -11.616 -1.243 3.201 1.00 0.00 C ATOM 442 C GLY A 24 -12.726 -0.268 2.863 1.00 0.00 C ATOM 443 O GLY A 24 -13.018 0.643 3.637 1.00 0.00 O ATOM 0 H GLY A 24 -10.089 -0.074 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.622 -2.060 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.808 -1.682 4.180 1.00 0.00 H new ATOM 447 N ARG A 25 -13.346 -0.458 1.702 1.00 0.00 N ATOM 448 CA ARG A 25 -14.429 0.416 1.263 1.00 0.00 C ATOM 449 C ARG A 25 -15.695 0.182 2.084 1.00 0.00 C ATOM 450 O ARG A 25 -16.519 1.083 2.240 1.00 0.00 O ATOM 451 CB ARG A 25 -14.717 0.199 -0.227 1.00 0.00 C ATOM 452 CG ARG A 25 -15.377 -1.136 -0.540 1.00 0.00 C ATOM 453 CD ARG A 25 -16.625 -0.962 -1.393 1.00 0.00 C ATOM 454 NE ARG A 25 -17.618 -0.102 -0.747 1.00 0.00 N ATOM 455 CZ ARG A 25 -17.800 1.185 -1.042 1.00 0.00 C ATOM 456 NH1 ARG A 25 -17.048 1.783 -1.959 1.00 0.00 N ATOM 457 NH2 ARG A 25 -18.736 1.880 -0.410 1.00 0.00 N ATOM 0 H ARG A 25 -13.118 -1.208 1.049 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.112 1.447 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.360 1.003 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.781 0.269 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.668 -1.779 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.640 -1.639 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.348 -0.535 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.066 -1.938 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.209 -0.514 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.322 1.257 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.196 2.768 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.314 1.429 0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -18.878 2.865 -0.633 1.00 0.00 H new ATOM 613 N SER A 36 -8.756 3.686 -0.429 1.00 0.00 N ATOM 614 CA SER A 36 -8.212 2.547 -1.157 1.00 0.00 C ATOM 615 C SER A 36 -7.524 1.579 -0.201 1.00 0.00 C ATOM 616 O SER A 36 -7.605 1.733 1.018 1.00 0.00 O ATOM 617 CB SER A 36 -7.223 3.020 -2.223 1.00 0.00 C ATOM 618 OG SER A 36 -5.965 3.333 -1.650 1.00 0.00 O ATOM 0 HA SER A 36 -9.037 2.028 -1.646 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.099 2.244 -2.978 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.623 3.898 -2.731 1.00 0.00 H new ATOM 0 HG SER A 36 -5.351 3.631 -2.353 1.00 0.00 H new ATOM 624 N ILE A 37 -6.846 0.583 -0.760 1.00 0.00 N ATOM 625 CA ILE A 37 -6.145 -0.407 0.047 1.00 0.00 C ATOM 626 C ILE A 37 -4.638 -0.335 -0.186 1.00 0.00 C ATOM 627 O ILE A 37 -4.154 -0.625 -1.280 1.00 0.00 O ATOM 628 CB ILE A 37 -6.641 -1.835 -0.260 1.00 0.00 C ATOM 629 CG1 ILE A 37 -8.160 -1.916 -0.084 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.945 -2.849 0.639 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.937 -1.487 -1.310 1.00 0.00 C ATOM 0 H ILE A 37 -6.767 0.440 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.358 -0.177 1.091 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.396 -2.072 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.434 -2.940 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.453 -1.290 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.308 -3.850 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.869 -2.806 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.159 -2.618 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.005 -1.571 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.693 -0.453 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.673 -2.128 -2.151 1.00 0.00 H new ATOM 643 N VAL A 38 -3.903 0.056 0.851 1.00 0.00 N ATOM 644 CA VAL A 38 -2.453 0.168 0.762 1.00 0.00 C ATOM 645 C VAL A 38 -1.771 -0.670 1.840 1.00 0.00 C ATOM 646 O VAL A 38 -2.414 -1.119 2.789 1.00 0.00 O ATOM 647 CB VAL A 38 -1.991 1.631 0.898 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.136 2.364 -0.427 1.00 0.00 C ATOM 649 CG2 VAL A 38 -2.766 2.342 1.998 1.00 0.00 C ATOM 0 H VAL A 38 -4.289 0.300 1.763 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.167 -0.204 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.936 1.632 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.805 3.396 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.527 1.871 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.181 2.352 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.423 3.374 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.830 2.330 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.601 1.832 2.947 1.00 0.00 H new ATOM 659 N ILE A 39 -0.468 -0.875 1.686 1.00 0.00 N ATOM 660 CA ILE A 39 0.300 -1.661 2.645 1.00 0.00 C ATOM 661 C ILE A 39 0.565 -0.868 3.921 1.00 0.00 C ATOM 662 O ILE A 39 1.201 0.185 3.889 1.00 0.00 O ATOM 663 CB ILE A 39 1.646 -2.116 2.050 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.438 -2.712 0.657 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.317 -3.125 2.970 1.00 0.00 C ATOM 666 CD1 ILE A 39 0.512 -3.908 0.643 1.00 0.00 C ATOM 0 H ILE A 39 0.079 -0.508 0.907 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.300 -2.539 2.884 1.00 0.00 H new ATOM 0 HB ILE A 39 2.298 -1.247 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.035 -1.943 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.405 -3.007 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.267 -3.437 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.495 -2.668 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.670 -3.994 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.411 -4.278 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.924 -4.695 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.467 -3.614 1.021 1.00 0.00 H new ATOM 678 N SER A 40 0.075 -1.384 5.043 1.00 0.00 N ATOM 679 CA SER A 40 0.260 -0.725 6.332 1.00 0.00 C ATOM 680 C SER A 40 1.578 -1.145 6.975 1.00 0.00 C ATOM 681 O SER A 40 2.342 -0.306 7.452 1.00 0.00 O ATOM 682 CB SER A 40 -0.905 -1.053 7.267 1.00 0.00 C ATOM 683 OG SER A 40 -1.823 0.026 7.336 1.00 0.00 O ATOM 0 H SER A 40 -0.453 -2.256 5.087 1.00 0.00 H new ATOM 0 HA SER A 40 0.288 0.351 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.417 -1.948 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.524 -1.275 8.264 1.00 0.00 H new ATOM 0 HG SER A 40 -2.135 0.132 8.259 1.00 0.00 H new ATOM 689 N ASP A 41 1.839 -2.449 6.985 1.00 0.00 N ATOM 690 CA ASP A 41 3.065 -2.978 7.572 1.00 0.00 C ATOM 691 C ASP A 41 3.467 -4.289 6.905 1.00 0.00 C ATOM 692 O ASP A 41 2.627 -5.002 6.357 1.00 0.00 O ATOM 693 CB ASP A 41 2.883 -3.193 9.075 1.00 0.00 C ATOM 694 CG ASP A 41 3.140 -1.931 9.875 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.323 -1.610 10.113 1.00 0.00 O ATOM 696 OD2 ASP A 41 2.158 -1.265 10.265 1.00 0.00 O ATOM 0 H ASP A 41 1.218 -3.158 6.594 1.00 0.00 H new ATOM 0 HA ASP A 41 3.860 -2.250 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.869 -3.543 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.561 -3.978 9.412 1.00 0.00 H new ATOM 701 N VAL A 42 4.758 -4.599 6.955 1.00 0.00 N ATOM 702 CA VAL A 42 5.272 -5.824 6.355 1.00 0.00 C ATOM 703 C VAL A 42 6.195 -6.565 7.316 1.00 0.00 C ATOM 704 O VAL A 42 7.069 -5.964 7.941 1.00 0.00 O ATOM 705 CB VAL A 42 6.037 -5.536 5.050 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.112 -4.921 4.012 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.228 -4.628 5.315 1.00 0.00 C ATOM 0 H VAL A 42 5.467 -4.019 7.404 1.00 0.00 H new ATOM 0 HA VAL A 42 4.407 -6.449 6.131 1.00 0.00 H new ATOM 0 HB VAL A 42 6.411 -6.481 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.671 -4.725 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.296 -5.611 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.705 -3.986 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.755 -4.437 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.880 -3.684 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.904 -5.111 6.020 1.00 0.00 H new ATOM 717 N LEU A 43 5.998 -7.874 7.426 1.00 0.00 N ATOM 718 CA LEU A 43 6.818 -8.701 8.308 1.00 0.00 C ATOM 719 C LEU A 43 8.297 -8.571 7.959 1.00 0.00 C ATOM 720 O LEU A 43 9.165 -8.764 8.811 1.00 0.00 O ATOM 721 CB LEU A 43 6.391 -10.167 8.218 1.00 0.00 C ATOM 722 CG LEU A 43 5.937 -10.631 6.831 1.00 0.00 C ATOM 723 CD1 LEU A 43 6.634 -11.928 6.443 1.00 0.00 C ATOM 724 CD2 LEU A 43 4.425 -10.803 6.794 1.00 0.00 C ATOM 0 H LEU A 43 5.278 -8.387 6.916 1.00 0.00 H new ATOM 0 HA LEU A 43 6.670 -8.349 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.225 -10.792 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.578 -10.336 8.924 1.00 0.00 H new ATOM 0 HG LEU A 43 6.214 -9.865 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.297 -12.240 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.712 -11.771 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.392 -12.703 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.121 -11.133 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.125 -11.548 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.945 -9.852 7.023 1.00 0.00 H new ATOM 736 N LYS A 44 8.580 -8.243 6.700 1.00 0.00 N ATOM 737 CA LYS A 44 9.956 -8.090 6.238 1.00 0.00 C ATOM 738 C LYS A 44 10.674 -9.435 6.217 1.00 0.00 C ATOM 739 O LYS A 44 11.889 -9.505 6.404 1.00 0.00 O ATOM 740 CB LYS A 44 10.715 -7.106 7.132 1.00 0.00 C ATOM 741 CG LYS A 44 12.007 -6.596 6.519 1.00 0.00 C ATOM 742 CD LYS A 44 12.984 -6.130 7.586 1.00 0.00 C ATOM 743 CE LYS A 44 14.324 -5.732 6.984 1.00 0.00 C ATOM 744 NZ LYS A 44 14.807 -4.429 7.518 1.00 0.00 N ATOM 0 H LYS A 44 7.874 -8.078 5.982 1.00 0.00 H new ATOM 0 HA LYS A 44 9.929 -7.696 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.068 -6.257 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.940 -7.591 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.466 -7.386 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.788 -5.772 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.560 -5.282 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.134 -6.926 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.061 -6.507 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.230 -5.668 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.722 -4.193 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.116 -3.685 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.921 -4.497 8.549 1.00 0.00 H new ATOM 758 N GLY A 45 9.914 -10.501 5.986 1.00 0.00 N ATOM 759 CA GLY A 45 10.496 -11.830 5.943 1.00 0.00 C ATOM 760 C GLY A 45 9.839 -12.723 4.907 1.00 0.00 C ATOM 761 O GLY A 45 10.027 -13.940 4.919 1.00 0.00 O ATOM 0 H GLY A 45 8.907 -10.468 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.561 -11.749 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.407 -12.293 6.926 1.00 0.00 H new ATOM 765 N GLY A 46 9.065 -12.121 4.007 1.00 0.00 N ATOM 766 CA GLY A 46 8.392 -12.888 2.975 1.00 0.00 C ATOM 767 C GLY A 46 8.702 -12.377 1.580 1.00 0.00 C ATOM 768 O GLY A 46 9.521 -11.472 1.417 1.00 0.00 O ATOM 0 H GLY A 46 8.893 -11.116 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.690 -13.934 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.316 -12.851 3.142 1.00 0.00 H new ATOM 772 N PRO A 47 8.058 -12.941 0.544 1.00 0.00 N ATOM 773 CA PRO A 47 8.280 -12.527 -0.845 1.00 0.00 C ATOM 774 C PRO A 47 8.125 -11.021 -1.032 1.00 0.00 C ATOM 775 O PRO A 47 8.704 -10.438 -1.949 1.00 0.00 O ATOM 776 CB PRO A 47 7.194 -13.276 -1.619 1.00 0.00 C ATOM 777 CG PRO A 47 6.884 -14.468 -0.780 1.00 0.00 C ATOM 778 CD PRO A 47 7.064 -14.027 0.647 1.00 0.00 C ATOM 0 HA PRO A 47 9.292 -12.753 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.311 -12.654 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.544 -13.569 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.866 -14.815 -0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.549 -15.298 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.128 -13.676 1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.421 -14.841 1.278 1.00 0.00 H new ATOM 786 N ALA A 48 7.339 -10.396 -0.161 1.00 0.00 N ATOM 787 CA ALA A 48 7.108 -8.958 -0.235 1.00 0.00 C ATOM 788 C ALA A 48 7.660 -8.245 0.996 1.00 0.00 C ATOM 789 O ALA A 48 7.105 -7.243 1.445 1.00 0.00 O ATOM 790 CB ALA A 48 5.623 -8.672 -0.390 1.00 0.00 C ATOM 0 H ALA A 48 6.852 -10.863 0.604 1.00 0.00 H new ATOM 0 HA ALA A 48 7.636 -8.576 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.464 -7.595 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.256 -9.140 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.083 -9.076 0.466 1.00 0.00 H new ATOM 796 N GLU A 49 8.758 -8.769 1.537 1.00 0.00 N ATOM 797 CA GLU A 49 9.386 -8.182 2.716 1.00 0.00 C ATOM 798 C GLU A 49 9.711 -6.709 2.486 1.00 0.00 C ATOM 799 O GLU A 49 9.520 -5.875 3.371 1.00 0.00 O ATOM 800 CB GLU A 49 10.663 -8.946 3.071 1.00 0.00 C ATOM 801 CG GLU A 49 11.623 -9.103 1.904 1.00 0.00 C ATOM 802 CD GLU A 49 12.915 -9.790 2.298 1.00 0.00 C ATOM 803 OE1 GLU A 49 12.863 -10.979 2.680 1.00 0.00 O ATOM 804 OE2 GLU A 49 13.979 -9.142 2.224 1.00 0.00 O ATOM 0 H GLU A 49 9.230 -9.598 1.177 1.00 0.00 H new ATOM 0 HA GLU A 49 8.682 -8.255 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.173 -8.427 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.393 -9.934 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.138 -9.676 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.850 -8.120 1.491 1.00 0.00 H new ATOM 811 N GLY A 50 10.204 -6.396 1.292 1.00 0.00 N ATOM 812 CA GLY A 50 10.548 -5.024 0.968 1.00 0.00 C ATOM 813 C GLY A 50 10.210 -4.663 -0.466 1.00 0.00 C ATOM 814 O GLY A 50 10.854 -3.801 -1.065 1.00 0.00 O ATOM 0 H GLY A 50 10.371 -7.068 0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.019 -4.351 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.614 -4.871 1.136 1.00 0.00 H new ATOM 818 N GLN A 51 9.198 -5.324 -1.018 1.00 0.00 N ATOM 819 CA GLN A 51 8.776 -5.068 -2.390 1.00 0.00 C ATOM 820 C GLN A 51 7.566 -4.140 -2.424 1.00 0.00 C ATOM 821 O GLN A 51 7.451 -3.283 -3.300 1.00 0.00 O ATOM 822 CB GLN A 51 8.444 -6.384 -3.098 1.00 0.00 C ATOM 823 CG GLN A 51 9.554 -7.417 -3.010 1.00 0.00 C ATOM 824 CD GLN A 51 10.644 -7.190 -4.039 1.00 0.00 C ATOM 825 OE1 GLN A 51 11.774 -6.841 -3.695 1.00 0.00 O ATOM 826 NE2 GLN A 51 10.310 -7.386 -5.308 1.00 0.00 N ATOM 0 H GLN A 51 8.655 -6.041 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 51 9.600 -4.580 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.535 -6.801 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.232 -6.179 -4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.991 -7.391 -2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.131 -8.412 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.361 -7.675 -5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.002 -7.248 -6.045 1.00 0.00 H new ATOM 835 N LEU A 52 6.664 -4.319 -1.464 1.00 0.00 N ATOM 836 CA LEU A 52 5.460 -3.499 -1.382 1.00 0.00 C ATOM 837 C LEU A 52 5.422 -2.718 -0.072 1.00 0.00 C ATOM 838 O LEU A 52 5.568 -3.290 1.008 1.00 0.00 O ATOM 839 CB LEU A 52 4.212 -4.375 -1.506 1.00 0.00 C ATOM 840 CG LEU A 52 4.056 -5.089 -2.851 1.00 0.00 C ATOM 841 CD1 LEU A 52 3.692 -6.552 -2.643 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.005 -4.394 -3.705 1.00 0.00 C ATOM 0 H LEU A 52 6.744 -5.025 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 52 5.478 -2.787 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.231 -5.124 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.332 -3.754 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 52 5.011 -5.045 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.586 -7.042 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.478 -7.045 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.751 -6.619 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.907 -4.915 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.047 -4.406 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.307 -3.362 -3.885 1.00 0.00 H new ATOM 854 N GLN A 53 5.224 -1.406 -0.176 1.00 0.00 N ATOM 855 CA GLN A 53 5.166 -0.546 0.999 1.00 0.00 C ATOM 856 C GLN A 53 4.180 0.598 0.788 1.00 0.00 C ATOM 857 O GLN A 53 3.642 0.772 -0.305 1.00 0.00 O ATOM 858 CB GLN A 53 6.554 0.014 1.318 1.00 0.00 C ATOM 859 CG GLN A 53 7.098 0.941 0.242 1.00 0.00 C ATOM 860 CD GLN A 53 8.255 0.330 -0.525 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.459 -0.884 -0.502 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.021 1.171 -1.210 1.00 0.00 N ATOM 0 H GLN A 53 5.101 -0.917 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 53 4.823 -1.147 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.510 0.555 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.248 -0.815 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.298 1.192 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.424 1.874 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.816 2.170 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.815 0.818 -1.745 1.00 0.00 H new ATOM 871 N GLU A 54 3.945 1.375 1.842 1.00 0.00 N ATOM 872 CA GLU A 54 3.022 2.504 1.773 1.00 0.00 C ATOM 873 C GLU A 54 3.388 3.442 0.626 1.00 0.00 C ATOM 874 O GLU A 54 2.521 4.096 0.045 1.00 0.00 O ATOM 875 CB GLU A 54 3.025 3.273 3.096 1.00 0.00 C ATOM 876 CG GLU A 54 1.840 4.212 3.256 1.00 0.00 C ATOM 877 CD GLU A 54 0.581 3.493 3.698 1.00 0.00 C ATOM 878 OE1 GLU A 54 0.076 2.650 2.926 1.00 0.00 O ATOM 879 OE2 GLU A 54 0.101 3.770 4.817 1.00 0.00 O ATOM 0 H GLU A 54 4.381 1.243 2.755 1.00 0.00 H new ATOM 0 HA GLU A 54 2.022 2.111 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.027 2.561 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.947 3.849 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.088 4.983 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.652 4.718 2.309 1.00 0.00 H new ATOM 886 N ASN A 55 4.676 3.503 0.305 1.00 0.00 N ATOM 887 CA ASN A 55 5.155 4.361 -0.773 1.00 0.00 C ATOM 888 C ASN A 55 4.540 3.952 -2.107 1.00 0.00 C ATOM 889 O ASN A 55 4.317 4.788 -2.983 1.00 0.00 O ATOM 890 CB ASN A 55 6.681 4.301 -0.862 1.00 0.00 C ATOM 891 CG ASN A 55 7.355 4.839 0.385 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.731 4.078 1.277 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.512 6.155 0.453 1.00 0.00 N ATOM 0 H ASN A 55 5.407 2.969 0.776 1.00 0.00 H new ATOM 0 HA ASN A 55 4.851 5.384 -0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.992 3.269 -1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.014 4.874 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.960 6.574 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.185 6.748 -0.310 1.00 0.00 H new ATOM 900 N ASP A 56 4.266 2.659 -2.255 1.00 0.00 N ATOM 901 CA ASP A 56 3.675 2.137 -3.481 1.00 0.00 C ATOM 902 C ASP A 56 2.160 2.033 -3.350 1.00 0.00 C ATOM 903 O ASP A 56 1.648 1.244 -2.556 1.00 0.00 O ATOM 904 CB ASP A 56 4.265 0.764 -3.814 1.00 0.00 C ATOM 905 CG ASP A 56 5.778 0.746 -3.714 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.297 0.520 -2.599 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.445 0.955 -4.749 1.00 0.00 O ATOM 0 H ASP A 56 4.444 1.954 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 56 3.907 2.829 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.850 0.019 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.967 0.478 -4.823 1.00 0.00 H new ATOM 912 N ARG A 57 1.446 2.838 -4.132 1.00 0.00 N ATOM 913 CA ARG A 57 -0.013 2.837 -4.101 1.00 0.00 C ATOM 914 C ARG A 57 -0.574 1.633 -4.849 1.00 0.00 C ATOM 915 O ARG A 57 -0.358 1.482 -6.052 1.00 0.00 O ATOM 916 CB ARG A 57 -0.556 4.132 -4.710 1.00 0.00 C ATOM 917 CG ARG A 57 -1.682 4.758 -3.901 1.00 0.00 C ATOM 918 CD ARG A 57 -1.290 6.123 -3.354 1.00 0.00 C ATOM 919 NE ARG A 57 -1.658 6.274 -1.948 1.00 0.00 N ATOM 920 CZ ARG A 57 -1.034 5.658 -0.948 1.00 0.00 C ATOM 921 NH1 ARG A 57 -0.014 4.844 -1.194 1.00 0.00 N ATOM 922 NH2 ARG A 57 -1.431 5.854 0.302 1.00 0.00 N ATOM 0 H ARG A 57 1.854 3.498 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.330 2.772 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.258 4.851 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.914 3.927 -5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.568 4.858 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.948 4.098 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.215 6.263 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.775 6.902 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.440 6.888 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.295 4.689 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.461 4.374 -0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.215 6.477 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.953 5.382 1.069 1.00 0.00 H new ATOM 936 N VAL A 58 -1.298 0.778 -4.133 1.00 0.00 N ATOM 937 CA VAL A 58 -1.892 -0.410 -4.733 1.00 0.00 C ATOM 938 C VAL A 58 -3.203 -0.071 -5.434 1.00 0.00 C ATOM 939 O VAL A 58 -4.084 0.559 -4.850 1.00 0.00 O ATOM 940 CB VAL A 58 -2.152 -1.507 -3.682 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.501 -2.824 -4.359 1.00 0.00 C ATOM 942 CG2 VAL A 58 -0.946 -1.671 -2.770 1.00 0.00 C ATOM 0 H VAL A 58 -1.487 0.887 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.176 -0.786 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.002 -1.203 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.681 -3.586 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.398 -2.695 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.674 -3.135 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.149 -2.450 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.076 -1.951 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.748 -0.730 -2.256 1.00 0.00 H new ATOM 952 N ALA A 59 -3.323 -0.489 -6.690 1.00 0.00 N ATOM 953 CA ALA A 59 -4.526 -0.224 -7.471 1.00 0.00 C ATOM 954 C ALA A 59 -5.276 -1.513 -7.788 1.00 0.00 C ATOM 955 O ALA A 59 -6.503 -1.518 -7.891 1.00 0.00 O ATOM 956 CB ALA A 59 -4.169 0.509 -8.755 1.00 0.00 C ATOM 0 H ALA A 59 -2.603 -1.012 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.183 0.407 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.076 0.701 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.687 1.456 -8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.488 -0.103 -9.346 1.00 0.00 H new ATOM 962 N MET A 60 -4.534 -2.604 -7.948 1.00 0.00 N ATOM 963 CA MET A 60 -5.136 -3.894 -8.259 1.00 0.00 C ATOM 964 C MET A 60 -4.365 -5.035 -7.606 1.00 0.00 C ATOM 965 O MET A 60 -3.148 -4.963 -7.440 1.00 0.00 O ATOM 966 CB MET A 60 -5.188 -4.101 -9.774 1.00 0.00 C ATOM 967 CG MET A 60 -6.004 -5.311 -10.197 1.00 0.00 C ATOM 968 SD MET A 60 -6.046 -5.531 -11.986 1.00 0.00 S ATOM 969 CE MET A 60 -6.749 -3.967 -12.502 1.00 0.00 C ATOM 0 H MET A 60 -3.517 -2.620 -7.868 1.00 0.00 H new ATOM 0 HA MET A 60 -6.150 -3.896 -7.860 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.608 -3.210 -10.239 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.171 -4.209 -10.152 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.586 -6.205 -9.735 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.023 -5.206 -9.824 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.181 -4.073 -13.497 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.527 -3.668 -11.799 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.968 -3.207 -12.524 1.00 0.00 H new ATOM 979 N VAL A 61 -5.085 -6.091 -7.241 1.00 0.00 N ATOM 980 CA VAL A 61 -4.481 -7.257 -6.611 1.00 0.00 C ATOM 981 C VAL A 61 -5.108 -8.542 -7.141 1.00 0.00 C ATOM 982 O VAL A 61 -6.309 -8.763 -7.000 1.00 0.00 O ATOM 983 CB VAL A 61 -4.635 -7.213 -5.078 1.00 0.00 C ATOM 984 CG1 VAL A 61 -3.972 -8.423 -4.432 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.058 -5.919 -4.521 1.00 0.00 C ATOM 0 H VAL A 61 -6.094 -6.162 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.419 -7.241 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.698 -7.245 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.094 -8.370 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.437 -9.335 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.910 -8.430 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.175 -5.905 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.999 -5.855 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.586 -5.069 -4.954 1.00 0.00 H new ATOM 995 N ASN A 62 -4.287 -9.387 -7.752 1.00 0.00 N ATOM 996 CA ASN A 62 -4.761 -10.651 -8.305 1.00 0.00 C ATOM 997 C ASN A 62 -5.936 -10.436 -9.257 1.00 0.00 C ATOM 998 O ASN A 62 -6.812 -11.293 -9.377 1.00 0.00 O ATOM 999 CB ASN A 62 -5.170 -11.600 -7.178 1.00 0.00 C ATOM 1000 CG ASN A 62 -4.909 -13.054 -7.521 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -3.947 -13.375 -8.219 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -5.766 -13.942 -7.031 1.00 0.00 N ATOM 0 H ASN A 62 -3.289 -9.220 -7.878 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.943 -11.095 -8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.623 -11.340 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.230 -11.466 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.641 -14.935 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.550 -13.631 -6.457 1.00 0.00 H new ATOM 1009 N GLY A 63 -5.942 -9.296 -9.941 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.007 -9.002 -10.885 1.00 0.00 C ATOM 1011 C GLY A 63 -8.083 -8.094 -10.316 1.00 0.00 C ATOM 1012 O GLY A 63 -8.760 -7.389 -11.065 1.00 0.00 O ATOM 0 H GLY A 63 -5.230 -8.571 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.578 -8.534 -11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.464 -9.937 -11.208 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.253 -8.112 -8.998 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.268 -7.283 -8.354 1.00 0.00 C ATOM 1018 C VAL A 64 -8.740 -5.882 -8.054 1.00 0.00 C ATOM 1019 O VAL A 64 -7.566 -5.706 -7.734 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.784 -7.927 -7.050 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -8.687 -7.988 -5.995 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.996 -7.171 -6.527 1.00 0.00 C ATOM 0 H VAL A 64 -7.706 -8.687 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.096 -7.204 -9.058 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.086 -8.950 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.080 -8.446 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.854 -8.582 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.341 -6.979 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.347 -7.638 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.720 -6.136 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.790 -7.196 -7.273 1.00 0.00 H new ATOM 1032 N SER A 65 -9.617 -4.889 -8.159 1.00 0.00 N ATOM 1033 CA SER A 65 -9.238 -3.505 -7.898 1.00 0.00 C ATOM 1034 C SER A 65 -9.124 -3.246 -6.398 1.00 0.00 C ATOM 1035 O SER A 65 -9.902 -3.778 -5.607 1.00 0.00 O ATOM 1036 CB SER A 65 -10.260 -2.548 -8.516 1.00 0.00 C ATOM 1037 OG SER A 65 -9.864 -2.148 -9.815 1.00 0.00 O ATOM 0 H SER A 65 -10.594 -5.017 -8.423 1.00 0.00 H new ATOM 0 HA SER A 65 -8.264 -3.329 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.235 -3.033 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.371 -1.670 -7.880 1.00 0.00 H new ATOM 0 HG SER A 65 -10.535 -1.539 -10.188 1.00 0.00 H new ATOM 1043 N MET A 66 -8.151 -2.426 -6.014 1.00 0.00 N ATOM 1044 CA MET A 66 -7.937 -2.099 -4.609 1.00 0.00 C ATOM 1045 C MET A 66 -8.338 -0.657 -4.314 1.00 0.00 C ATOM 1046 O MET A 66 -7.791 -0.022 -3.411 1.00 0.00 O ATOM 1047 CB MET A 66 -6.472 -2.318 -4.228 1.00 0.00 C ATOM 1048 CG MET A 66 -6.132 -3.766 -3.913 1.00 0.00 C ATOM 1049 SD MET A 66 -7.094 -4.422 -2.536 1.00 0.00 S ATOM 1050 CE MET A 66 -7.757 -5.917 -3.268 1.00 0.00 C ATOM 0 H MET A 66 -7.498 -1.976 -6.656 1.00 0.00 H new ATOM 0 HA MET A 66 -8.565 -2.761 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.838 -1.975 -5.046 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.235 -1.702 -3.361 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.308 -4.377 -4.798 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.070 -3.843 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.688 -6.185 -2.768 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.949 -5.749 -4.328 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.038 -6.728 -3.154 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.295 -0.143 -5.079 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.768 1.225 -4.897 1.00 0.00 C ATOM 1062 C ASP A 67 -11.266 1.255 -4.610 1.00 0.00 C ATOM 1063 O ASP A 67 -11.925 2.274 -4.812 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.461 2.061 -6.142 1.00 0.00 C ATOM 1065 CG ASP A 67 -7.971 2.218 -6.379 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -7.238 1.218 -6.225 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -7.539 3.339 -6.718 1.00 0.00 O ATOM 0 H ASP A 67 -9.759 -0.653 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.246 1.650 -4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.917 1.591 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.915 3.046 -6.036 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.799 0.133 -4.134 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.221 0.035 -3.818 1.00 0.00 C ATOM 1074 C ASN A 68 -13.562 -1.350 -3.276 1.00 0.00 C ATOM 1075 O ASN A 68 -14.621 -1.902 -3.577 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.064 0.331 -5.061 1.00 0.00 C ATOM 1077 CG ASN A 68 -13.735 -0.595 -6.216 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -12.834 -0.321 -7.008 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -14.468 -1.698 -6.318 1.00 0.00 N ATOM 0 H ASN A 68 -11.268 -0.720 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.449 0.774 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.121 0.235 -4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.902 1.364 -5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.294 -2.358 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.205 -1.885 -5.638 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.659 -1.906 -2.475 1.00 0.00 N ATOM 1087 CA VAL A 69 -12.865 -3.226 -1.891 1.00 0.00 C ATOM 1088 C VAL A 69 -12.653 -3.199 -0.382 1.00 0.00 C ATOM 1089 O VAL A 69 -11.836 -2.432 0.127 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.921 -4.272 -2.513 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.251 -4.483 -3.982 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.469 -3.853 -2.340 1.00 0.00 C ATOM 0 H VAL A 69 -11.778 -1.463 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 69 -13.896 -3.507 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.066 -5.219 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.574 -5.225 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.279 -4.834 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.138 -3.541 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.818 -4.605 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.306 -2.894 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.241 -3.760 -1.278 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.393 -4.043 0.329 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.288 -4.121 1.780 1.00 0.00 C ATOM 1104 C GLU A 70 -12.002 -4.828 2.193 1.00 0.00 C ATOM 1105 O GLU A 70 -11.464 -5.645 1.446 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.497 -4.856 2.361 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.771 -4.523 3.819 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.628 -5.569 4.504 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -15.289 -6.768 4.412 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -16.639 -5.190 5.132 1.00 0.00 O ATOM 0 H GLU A 70 -14.074 -4.684 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.266 -3.105 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.379 -4.611 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.338 -5.930 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.824 -4.429 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.268 -3.555 3.880 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.511 -4.510 3.387 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.285 -5.115 3.901 1.00 0.00 C ATOM 1119 C HIS A 71 -10.332 -6.636 3.776 1.00 0.00 C ATOM 1120 O HIS A 71 -9.445 -7.248 3.179 1.00 0.00 O ATOM 1121 CB HIS A 71 -10.073 -4.720 5.363 1.00 0.00 C ATOM 1122 CG HIS A 71 -8.765 -5.182 5.925 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -7.713 -4.329 6.186 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -8.340 -6.418 6.281 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -6.699 -5.019 6.675 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -7.054 -6.289 6.743 1.00 0.00 N ATOM 0 H HIS A 71 -11.944 -3.836 4.018 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.450 -4.746 3.305 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.133 -3.635 5.450 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.883 -5.133 5.964 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.907 -7.334 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.742 -4.614 6.969 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.468 -7.051 7.084 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.373 -7.240 4.339 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.537 -8.687 4.287 1.00 0.00 C ATOM 1137 C ALA A 72 -11.641 -9.171 2.845 1.00 0.00 C ATOM 1138 O ALA A 72 -11.076 -10.204 2.483 1.00 0.00 O ATOM 1139 CB ALA A 72 -12.767 -9.108 5.077 1.00 0.00 C ATOM 0 H ALA A 72 -12.116 -6.749 4.837 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.657 -9.146 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.877 -10.191 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.655 -8.800 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.652 -8.635 4.652 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.364 -8.416 2.024 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.541 -8.763 0.620 1.00 0.00 C ATOM 1147 C PHE A 73 -11.194 -8.825 -0.096 1.00 0.00 C ATOM 1148 O PHE A 73 -10.981 -9.668 -0.968 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.453 -7.745 -0.067 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.574 -8.372 -0.845 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -14.328 -9.006 -2.052 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.875 -8.327 -0.369 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -15.357 -9.584 -2.769 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -16.909 -8.903 -1.082 1.00 0.00 C ATOM 1155 CZ PHE A 73 -16.650 -9.533 -2.284 1.00 0.00 C ATOM 0 H PHE A 73 -12.837 -7.558 2.308 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.006 -9.747 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.873 -7.079 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.855 -7.129 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.320 -9.049 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -16.083 -7.836 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -15.151 -10.076 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.918 -8.861 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 73 -17.456 -9.985 -2.843 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.290 -7.928 0.282 1.00 0.00 N ATOM 1166 CA ALA A 74 -8.963 -7.878 -0.321 1.00 0.00 C ATOM 1167 C ALA A 74 -8.098 -9.039 0.157 1.00 0.00 C ATOM 1168 O ALA A 74 -7.438 -9.705 -0.642 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.291 -6.550 -0.002 1.00 0.00 C ATOM 0 H ALA A 74 -10.452 -7.225 1.003 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.077 -7.966 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.301 -6.524 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.894 -5.733 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.196 -6.440 1.078 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.101 -9.274 1.465 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.313 -10.351 2.051 1.00 0.00 C ATOM 1177 C VAL A 75 -7.695 -11.704 1.456 1.00 0.00 C ATOM 1178 O VAL A 75 -6.829 -12.527 1.158 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.488 -10.411 3.580 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -6.506 -11.399 4.193 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.317 -9.027 4.192 1.00 0.00 C ATOM 0 H VAL A 75 -8.641 -8.732 2.140 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.270 -10.136 1.819 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.498 -10.757 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.645 -11.427 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.682 -12.392 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.487 -11.087 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.444 -9.089 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.320 -8.649 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.064 -8.351 3.777 1.00 0.00 H new ATOM 1191 N GLN A 76 -8.993 -11.928 1.287 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.482 -13.184 0.730 1.00 0.00 C ATOM 1193 C GLN A 76 -9.094 -13.319 -0.740 1.00 0.00 C ATOM 1194 O GLN A 76 -8.936 -14.429 -1.250 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.003 -13.277 0.878 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.755 -12.201 0.112 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.092 -12.689 -0.412 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -13.880 -13.285 0.323 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.354 -12.436 -1.688 1.00 0.00 N ATOM 0 H GLN A 76 -9.724 -11.258 1.527 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.019 -14.000 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.334 -14.256 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.262 -13.208 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.915 -11.341 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.144 -11.859 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.671 -11.939 -2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.238 -12.739 -2.097 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.940 -12.185 -1.416 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.568 -12.182 -2.827 1.00 0.00 C ATOM 1210 C GLN A 77 -7.127 -12.647 -3.008 1.00 0.00 C ATOM 1211 O GLN A 77 -6.846 -13.530 -3.820 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.744 -10.783 -3.419 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.107 -10.558 -4.052 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.366 -11.485 -5.223 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.400 -12.149 -5.289 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -9.422 -11.535 -6.157 1.00 0.00 N ATOM 0 H GLN A 77 -9.067 -11.258 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.224 -12.876 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.591 -10.043 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.972 -10.615 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.882 -10.704 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.181 -9.524 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.580 -10.967 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.539 -12.141 -6.969 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.218 -12.051 -2.244 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.805 -12.407 -2.316 1.00 0.00 C ATOM 1227 C LEU A 78 -4.558 -13.771 -1.681 1.00 0.00 C ATOM 1228 O LEU A 78 -3.662 -14.507 -2.092 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.952 -11.343 -1.621 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.322 -11.065 -0.162 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.486 -11.925 0.772 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.140 -9.590 0.161 1.00 0.00 C ATOM 0 H LEU A 78 -6.434 -11.319 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.520 -12.458 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.908 -11.653 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.031 -10.412 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.371 -11.321 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.762 -11.714 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.666 -12.978 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.430 -11.700 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.407 -9.410 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.100 -9.308 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.782 -8.994 -0.487 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.363 -14.101 -0.675 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.238 -15.376 0.021 1.00 0.00 C ATOM 1246 C ARG A 79 -5.617 -16.540 -0.892 1.00 0.00 C ATOM 1247 O ARG A 79 -5.174 -17.670 -0.688 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.120 -15.386 1.270 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.891 -16.590 2.168 1.00 0.00 C ATOM 1250 CD ARG A 79 -6.707 -16.494 3.448 1.00 0.00 C ATOM 1251 NE ARG A 79 -6.876 -17.796 4.089 1.00 0.00 N ATOM 1252 CZ ARG A 79 -7.606 -18.784 3.577 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -8.231 -18.626 2.418 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -7.709 -19.936 4.227 1.00 0.00 N ATOM 0 H ARG A 79 -6.110 -13.501 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.196 -15.497 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.935 -14.477 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.166 -15.364 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.158 -17.501 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.832 -16.665 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.216 -15.810 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.686 -16.071 3.223 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.407 -17.957 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.154 -17.743 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.789 -19.387 2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.229 -20.064 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.268 -20.694 3.836 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.443 -16.258 -1.896 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.884 -17.285 -2.833 1.00 0.00 C ATOM 1270 C LYS A 80 -5.710 -17.849 -3.627 1.00 0.00 C ATOM 1271 O LYS A 80 -5.769 -18.973 -4.123 1.00 0.00 O ATOM 1272 CB LYS A 80 -7.933 -16.714 -3.789 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.035 -17.702 -4.142 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.407 -17.174 -3.753 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.528 -16.990 -2.249 1.00 0.00 C ATOM 1276 NZ LYS A 80 -10.623 -18.294 -1.535 1.00 0.00 N ATOM 0 H LYS A 80 -6.819 -15.328 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.327 -18.097 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.381 -15.829 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.440 -16.390 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.013 -17.905 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.852 -18.649 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.587 -16.222 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.175 -17.865 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.664 -16.437 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.410 -16.389 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.772 -18.124 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.422 -18.841 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.741 -18.829 -1.670 1.00 0.00 H new ATOM 1290 N SER A 81 -4.641 -17.064 -3.744 1.00 0.00 N ATOM 1291 CA SER A 81 -3.457 -17.495 -4.480 1.00 0.00 C ATOM 1292 C SER A 81 -2.904 -18.795 -3.900 1.00 0.00 C ATOM 1293 O SER A 81 -3.139 -19.875 -4.442 1.00 0.00 O ATOM 1294 CB SER A 81 -2.382 -16.405 -4.443 1.00 0.00 C ATOM 1295 OG SER A 81 -2.726 -15.322 -5.290 1.00 0.00 O ATOM 0 H SER A 81 -4.571 -16.130 -3.340 1.00 0.00 H new ATOM 0 HA SER A 81 -3.745 -17.673 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.258 -16.047 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.424 -16.823 -4.753 1.00 0.00 H new ATOM 0 HG SER A 81 -2.953 -14.540 -4.745 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.171 -18.684 -2.797 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.602 -19.860 -2.162 1.00 0.00 C ATOM 1303 C GLY A 82 -0.174 -20.127 -2.599 1.00 0.00 C ATOM 1304 O GLY A 82 0.615 -20.697 -1.846 1.00 0.00 O ATOM 0 H GLY A 82 -1.961 -17.801 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.629 -19.733 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.218 -20.728 -2.396 1.00 0.00 H new ATOM 1308 N LYS A 83 0.159 -19.717 -3.819 1.00 0.00 N ATOM 1309 CA LYS A 83 1.501 -19.917 -4.352 1.00 0.00 C ATOM 1310 C LYS A 83 1.710 -19.092 -5.616 1.00 0.00 C ATOM 1311 O LYS A 83 2.438 -19.499 -6.522 1.00 0.00 O ATOM 1312 CB LYS A 83 1.738 -21.399 -4.652 1.00 0.00 C ATOM 1313 CG LYS A 83 3.206 -21.790 -4.665 1.00 0.00 C ATOM 1314 CD LYS A 83 3.451 -23.011 -5.536 1.00 0.00 C ATOM 1315 CE LYS A 83 4.538 -23.901 -4.954 1.00 0.00 C ATOM 1316 NZ LYS A 83 4.223 -25.346 -5.127 1.00 0.00 N ATOM 0 H LYS A 83 -0.482 -19.245 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 83 2.217 -19.587 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.217 -22.000 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.298 -21.640 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.803 -20.955 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.538 -21.996 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.527 -23.580 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.738 -22.693 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.489 -23.676 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.659 -23.680 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.988 -25.919 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.328 -25.566 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.132 -25.563 -6.140 1.00 0.00 H new ATOM 1330 N ASN A 84 1.065 -17.931 -5.672 1.00 0.00 N ATOM 1331 CA ASN A 84 1.177 -17.043 -6.826 1.00 0.00 C ATOM 1332 C ASN A 84 0.227 -15.857 -6.691 1.00 0.00 C ATOM 1333 O ASN A 84 -0.821 -15.812 -7.336 1.00 0.00 O ATOM 1334 CB ASN A 84 0.879 -17.806 -8.120 1.00 0.00 C ATOM 1335 CG ASN A 84 2.137 -18.152 -8.892 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.501 -19.321 -9.017 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.811 -17.134 -9.413 1.00 0.00 N ATOM 0 H ASN A 84 0.458 -17.582 -4.930 1.00 0.00 H new ATOM 0 HA ASN A 84 2.199 -16.667 -6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.339 -18.722 -7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 84 0.224 -17.205 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.667 -17.306 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.473 -16.180 -9.285 1.00 0.00 H new ATOM 1344 N ALA A 85 0.599 -14.901 -5.849 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.223 -13.716 -5.630 1.00 0.00 C ATOM 1346 C ALA A 85 0.440 -12.474 -6.219 1.00 0.00 C ATOM 1347 O ALA A 85 1.494 -12.042 -5.750 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.485 -13.523 -4.144 1.00 0.00 C ATOM 0 H ALA A 85 1.463 -14.922 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.176 -13.864 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.100 -12.635 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.006 -14.395 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.463 -13.400 -3.620 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.180 -11.906 -7.248 1.00 0.00 N ATOM 1355 CA LYS A 86 0.356 -10.715 -7.897 1.00 0.00 C ATOM 1356 C LYS A 86 -0.288 -9.451 -7.335 1.00 0.00 C ATOM 1357 O LYS A 86 -1.493 -9.414 -7.083 1.00 0.00 O ATOM 1358 CB LYS A 86 0.145 -10.794 -9.413 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.258 -10.414 -9.863 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.589 -11.009 -11.223 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.695 -10.233 -11.917 1.00 0.00 C ATOM 1362 NZ LYS A 86 -2.594 -10.327 -13.400 1.00 0.00 N ATOM 0 H LYS A 86 -1.052 -12.250 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 86 1.426 -10.669 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.863 -10.138 -9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.360 -11.809 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.983 -10.761 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.345 -9.328 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.696 -11.009 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.894 -12.049 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.664 -10.615 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.648 -9.187 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.367 -9.784 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.680 -9.939 -13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.664 -11.323 -13.690 1.00 0.00 H new ATOM 1376 N ILE A 87 0.524 -8.416 -7.141 1.00 0.00 N ATOM 1377 CA ILE A 87 0.036 -7.150 -6.609 1.00 0.00 C ATOM 1378 C ILE A 87 0.385 -5.990 -7.535 1.00 0.00 C ATOM 1379 O ILE A 87 1.537 -5.827 -7.935 1.00 0.00 O ATOM 1380 CB ILE A 87 0.617 -6.866 -5.210 1.00 0.00 C ATOM 1381 CG1 ILE A 87 0.527 -8.112 -4.328 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.112 -5.698 -4.561 1.00 0.00 C ATOM 1383 CD1 ILE A 87 -0.892 -8.574 -4.078 1.00 0.00 C ATOM 0 H ILE A 87 1.523 -8.430 -7.345 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.048 -7.238 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 87 1.668 -6.600 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.087 -8.921 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.007 -7.906 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.309 -5.509 -3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.002 -4.808 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.171 -5.939 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.880 -9.462 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.450 -7.781 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.370 -8.812 -5.028 1.00 0.00 H new ATOM 1395 N THR A 88 -0.617 -5.183 -7.864 1.00 0.00 N ATOM 1396 CA THR A 88 -0.419 -4.031 -8.737 1.00 0.00 C ATOM 1397 C THR A 88 -0.273 -2.756 -7.915 1.00 0.00 C ATOM 1398 O THR A 88 -1.160 -2.401 -7.138 1.00 0.00 O ATOM 1399 CB THR A 88 -1.590 -3.895 -9.712 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.146 -5.164 -10.008 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.206 -3.245 -11.023 1.00 0.00 C ATOM 0 H THR A 88 -1.576 -5.305 -7.539 1.00 0.00 H new ATOM 0 HA THR A 88 0.497 -4.186 -9.306 1.00 0.00 H new ATOM 0 HB THR A 88 -2.313 -3.255 -9.207 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.571 -5.530 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.083 -3.180 -11.667 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.820 -2.244 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.438 -3.843 -11.514 1.00 0.00 H new ATOM 1409 N ILE A 89 0.854 -2.071 -8.084 1.00 0.00 N ATOM 1410 CA ILE A 89 1.114 -0.840 -7.348 1.00 0.00 C ATOM 1411 C ILE A 89 1.649 0.250 -8.268 1.00 0.00 C ATOM 1412 O ILE A 89 2.161 -0.035 -9.350 1.00 0.00 O ATOM 1413 CB ILE A 89 2.123 -1.074 -6.207 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.411 -1.693 -6.754 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.514 -1.966 -5.137 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.347 -0.685 -7.386 1.00 0.00 C ATOM 0 H ILE A 89 1.600 -2.347 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 89 0.163 -0.517 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 89 2.368 -0.113 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.932 -2.202 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.154 -2.451 -7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.239 -2.122 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.622 -1.489 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.244 -2.927 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.238 -1.195 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.844 -0.193 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.634 0.060 -6.644 1.00 0.00 H new ATOM 1428 N ARG A 90 1.531 1.503 -7.832 1.00 0.00 N ATOM 1429 CA ARG A 90 2.011 2.627 -8.626 1.00 0.00 C ATOM 1430 C ARG A 90 2.769 3.634 -7.768 1.00 0.00 C ATOM 1431 O ARG A 90 2.373 3.932 -6.641 1.00 0.00 O ATOM 1432 CB ARG A 90 0.847 3.326 -9.333 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.107 2.375 -10.032 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.472 2.359 -9.371 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.014 3.707 -9.204 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.863 4.056 -8.238 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.278 3.160 -7.350 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.298 5.306 -8.160 1.00 0.00 N ATOM 0 H ARG A 90 1.110 1.762 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 90 2.697 2.227 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.290 3.912 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.248 4.027 -10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.212 2.669 -11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.312 1.369 -10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.159 1.764 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.398 1.874 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.724 4.425 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.947 2.197 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.928 3.435 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.983 5.999 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.948 5.575 -7.421 1.00 0.00 H new ATOM 1452 N ARG A 91 3.861 4.155 -8.317 1.00 0.00 N ATOM 1453 CA ARG A 91 4.685 5.134 -7.617 1.00 0.00 C ATOM 1454 C ARG A 91 5.327 6.107 -8.602 1.00 0.00 C ATOM 1455 O ARG A 91 5.654 5.736 -9.729 1.00 0.00 O ATOM 1456 CB ARG A 91 5.774 4.439 -6.792 1.00 0.00 C ATOM 1457 CG ARG A 91 6.059 3.006 -7.220 1.00 0.00 C ATOM 1458 CD ARG A 91 6.729 2.955 -8.584 1.00 0.00 C ATOM 1459 NE ARG A 91 7.942 3.768 -8.630 1.00 0.00 N ATOM 1460 CZ ARG A 91 9.111 3.386 -8.122 1.00 0.00 C ATOM 1461 NH1 ARG A 91 9.229 2.205 -7.527 1.00 0.00 N ATOM 1462 NH2 ARG A 91 10.165 4.186 -8.209 1.00 0.00 N ATOM 0 H ARG A 91 4.197 3.914 -9.249 1.00 0.00 H new ATOM 0 HA ARG A 91 4.035 5.693 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.695 5.018 -6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.477 4.441 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.699 2.525 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.127 2.442 -7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.976 1.922 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.030 3.304 -9.344 1.00 0.00 H new ATOM 0 HE ARG A 91 7.890 4.683 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.421 1.586 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.127 1.917 -7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.080 5.094 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.061 3.893 -7.820 1.00 0.00 H new