USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -130:sc= 0.0485 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.56 K(o=0.61,f=-0.26) USER MOD Set 2.1: A 47 SER OG : rot -49:sc= -0.657 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -146:sc= -1.94! (180deg=-3.05!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.673 F(o=-4.8!,f=-0.67) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.165 F(o=-0.92,f=-0.16) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0.522 (180deg=0.51) USER MOD Single : A 23 GLN : amide:sc= -0.931 K(o=-0.93,f=-4.9!) USER MOD Single : A 26 ASN : amide:sc= 0.32 X(o=0.32,f=-0.15) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -4.33! C(o=-6.7!,f=-4.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.97! C(o=-2.9!,f=-2!) USER MOD Single : A 44 ASN : amide:sc= -5.95! C(o=-5.9!,f=-7.8!) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.13) USER MOD Single : A 56 TYR OH : rot -30:sc= -0.332 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 61 SER OG : rot -164:sc= -3.43! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0257 F(o=-0.92,f=-0.026) USER MOD Single : A 78 MET CE :methyl 159:sc= -2.48 (180deg=-3.58!) USER MOD Single : A 79 GLN :FLIP amide:sc= -3.51! C(o=-4.4!,f=-3.5!) USER MOD Single : A 81 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.5!) USER MOD Single : A 85 MET CE :methyl -168:sc= -2.5 (180deg=-2.85) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-3.4) USER MOD Single : A 95 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0.254) USER MOD Single : A 98 THR OG1 : rot -42:sc= 0.14 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 21:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.464 -10.355 -4.074 1.00 0.00 N ATOM 154 CA VAL A 12 -8.294 -9.903 -5.425 1.00 0.00 C ATOM 155 C VAL A 12 -7.010 -9.105 -5.516 1.00 0.00 C ATOM 156 O VAL A 12 -6.692 -8.348 -4.606 1.00 0.00 O ATOM 157 CB VAL A 12 -9.493 -9.009 -5.863 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.288 -8.416 -7.252 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.767 -9.810 -5.836 1.00 0.00 C ATOM 0 HA VAL A 12 -8.250 -10.768 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.559 -8.182 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.148 -7.801 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.387 -7.802 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.182 -9.221 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.600 -9.178 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.680 -10.655 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.944 -10.178 -4.825 1.00 0.00 H new ATOM 169 N VAL A 13 -6.265 -9.317 -6.564 1.00 0.00 N ATOM 170 CA VAL A 13 -5.080 -8.539 -6.829 1.00 0.00 C ATOM 171 C VAL A 13 -5.337 -7.738 -8.097 1.00 0.00 C ATOM 172 O VAL A 13 -6.021 -8.223 -9.016 1.00 0.00 O ATOM 173 CB VAL A 13 -3.795 -9.421 -6.986 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.812 -10.238 -8.258 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.524 -8.588 -6.890 1.00 0.00 C ATOM 0 H VAL A 13 -6.460 -10.035 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.887 -7.885 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.799 -10.122 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.900 -10.832 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.677 -10.901 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.870 -9.571 -9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.655 -9.236 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.522 -7.836 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.484 -8.095 -5.919 1.00 0.00 H new ATOM 185 N GLN A 14 -4.860 -6.540 -8.132 1.00 0.00 N ATOM 186 CA GLN A 14 -5.056 -5.685 -9.274 1.00 0.00 C ATOM 187 C GLN A 14 -3.826 -4.828 -9.474 1.00 0.00 C ATOM 188 O GLN A 14 -3.089 -4.551 -8.501 1.00 0.00 O ATOM 189 CB GLN A 14 -6.343 -4.838 -9.087 1.00 0.00 C ATOM 190 CG GLN A 14 -6.341 -3.866 -7.899 1.00 0.00 C ATOM 191 CD GLN A 14 -5.935 -2.450 -8.277 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.681 -2.171 -8.208 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -6.765 -1.616 -8.645 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.322 -6.118 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.195 -6.283 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.513 -4.266 -9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.188 -5.517 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.336 -3.844 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.659 -4.240 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.753 -1.865 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.464 -0.677 -8.904 1.00 0.00 H new ATOM 202 N ARG A 15 -3.588 -4.401 -10.685 1.00 0.00 N ATOM 203 CA ARG A 15 -2.447 -3.581 -10.963 1.00 0.00 C ATOM 204 C ARG A 15 -2.877 -2.125 -11.026 1.00 0.00 C ATOM 205 O ARG A 15 -3.938 -1.804 -11.563 1.00 0.00 O ATOM 206 CB ARG A 15 -1.698 -4.059 -12.247 1.00 0.00 C ATOM 207 CG ARG A 15 -2.405 -3.855 -13.591 1.00 0.00 C ATOM 208 CD ARG A 15 -2.200 -2.442 -14.126 1.00 0.00 C ATOM 209 NE ARG A 15 -2.856 -2.224 -15.408 1.00 0.00 N ATOM 210 CZ ARG A 15 -3.282 -1.034 -15.851 1.00 0.00 C ATOM 211 NH1 ARG A 15 -3.205 0.044 -15.072 1.00 0.00 N ATOM 212 NH2 ARG A 15 -3.792 -0.928 -17.061 1.00 0.00 N ATOM 0 H ARG A 15 -4.172 -4.610 -11.495 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.723 -3.677 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.739 -3.544 -12.289 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.484 -5.122 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.027 -4.577 -14.315 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.471 -4.049 -13.475 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.583 -1.724 -13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.132 -2.250 -14.232 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.001 -3.034 -16.010 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.819 -0.033 -14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.532 0.947 -15.417 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.862 -1.751 -17.659 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.117 -0.023 -17.400 1.00 0.00 H new ATOM 226 N VAL A 16 -2.085 -1.277 -10.461 1.00 0.00 N ATOM 227 CA VAL A 16 -2.360 0.125 -10.401 1.00 0.00 C ATOM 228 C VAL A 16 -1.222 0.882 -11.043 1.00 0.00 C ATOM 229 O VAL A 16 -0.114 0.347 -11.153 1.00 0.00 O ATOM 230 CB VAL A 16 -2.563 0.557 -8.935 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.311 0.519 -8.127 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.317 1.848 -8.793 1.00 0.00 C ATOM 0 H VAL A 16 -1.206 -1.543 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.277 0.349 -10.946 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.210 -0.206 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.527 0.835 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.915 -0.497 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.574 1.191 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.424 2.092 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.771 2.646 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.304 1.744 -9.243 1.00 0.00 H new ATOM 242 N GLU A 17 -1.484 2.079 -11.488 1.00 0.00 N ATOM 243 CA GLU A 17 -0.483 2.856 -12.147 1.00 0.00 C ATOM 244 C GLU A 17 -0.556 4.301 -11.723 1.00 0.00 C ATOM 245 O GLU A 17 -1.474 5.035 -12.094 1.00 0.00 O ATOM 246 CB GLU A 17 -0.608 2.698 -13.655 1.00 0.00 C ATOM 247 CG GLU A 17 0.413 3.462 -14.454 1.00 0.00 C ATOM 248 CD GLU A 17 0.357 3.113 -15.921 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.460 3.677 -16.649 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.126 2.253 -16.373 1.00 0.00 O ATOM 0 H GLU A 17 -2.391 2.537 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 17 0.500 2.489 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.526 1.640 -13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.604 3.021 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.245 4.532 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.410 3.248 -14.068 1.00 0.00 H new ATOM 257 N ILE A 18 0.387 4.685 -10.926 1.00 0.00 N ATOM 258 CA ILE A 18 0.480 6.037 -10.441 1.00 0.00 C ATOM 259 C ILE A 18 1.384 6.815 -11.344 1.00 0.00 C ATOM 260 O ILE A 18 2.482 6.369 -11.635 1.00 0.00 O ATOM 261 CB ILE A 18 0.986 6.133 -8.951 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.130 5.872 -7.921 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.665 7.460 -8.662 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.565 4.441 -7.761 1.00 0.00 C ATOM 0 H ILE A 18 1.125 4.069 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.526 6.456 -10.446 1.00 0.00 H new ATOM 0 HB ILE A 18 1.724 5.338 -8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.207 6.238 -6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.000 6.465 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.997 7.480 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.525 7.579 -9.320 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.961 8.274 -8.834 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.353 4.382 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.941 4.067 -8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.284 3.836 -7.443 1.00 0.00 H new ATOM 276 N HIS A 19 0.897 7.937 -11.815 1.00 0.00 N ATOM 277 CA HIS A 19 1.668 8.820 -12.663 1.00 0.00 C ATOM 278 C HIS A 19 2.301 9.916 -11.808 1.00 0.00 C ATOM 279 O HIS A 19 1.853 10.161 -10.686 1.00 0.00 O ATOM 280 CB HIS A 19 0.771 9.477 -13.713 1.00 0.00 C ATOM 281 CG HIS A 19 0.018 8.560 -14.614 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.210 7.265 -14.887 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -1.084 8.944 -15.343 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.767 6.838 -15.788 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -1.517 7.894 -16.026 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.049 8.267 -11.622 1.00 0.00 H new ATOM 0 HA HIS A 19 2.438 8.234 -13.165 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.052 10.114 -13.197 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.389 10.129 -14.330 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.521 9.932 -15.356 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.884 5.848 -16.203 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.323 7.903 -16.652 1.00 0.00 H new ATOM 293 N LYS A 20 3.345 10.546 -12.346 1.00 0.00 N ATOM 294 CA LYS A 20 4.068 11.659 -11.687 1.00 0.00 C ATOM 295 C LYS A 20 3.161 12.715 -11.005 1.00 0.00 C ATOM 296 O LYS A 20 2.451 13.494 -11.663 1.00 0.00 O ATOM 297 CB LYS A 20 5.013 12.345 -12.698 1.00 0.00 C ATOM 298 CG LYS A 20 4.311 12.898 -13.949 1.00 0.00 C ATOM 299 CD LYS A 20 5.290 13.421 -14.995 1.00 0.00 C ATOM 300 CE LYS A 20 6.132 12.293 -15.557 1.00 0.00 C ATOM 301 NZ LYS A 20 6.979 12.698 -16.684 1.00 0.00 N ATOM 0 H LYS A 20 3.725 10.303 -13.261 1.00 0.00 H new ATOM 0 HA LYS A 20 4.635 11.199 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.531 13.162 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.774 11.629 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.698 12.113 -14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.636 13.702 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.742 13.908 -15.801 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.937 14.176 -14.548 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.764 11.892 -14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.474 11.486 -15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.588 11.903 -16.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.379 12.974 -17.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.571 13.505 -16.401 1.00 0.00 H new ATOM 315 N LEU A 21 3.192 12.729 -9.701 1.00 0.00 N ATOM 316 CA LEU A 21 2.520 13.740 -8.930 1.00 0.00 C ATOM 317 C LEU A 21 3.568 14.658 -8.337 1.00 0.00 C ATOM 318 O LEU A 21 4.391 14.241 -7.500 1.00 0.00 O ATOM 319 CB LEU A 21 1.679 13.126 -7.826 1.00 0.00 C ATOM 320 CG LEU A 21 0.996 14.123 -6.883 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.149 14.849 -7.570 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.540 13.454 -5.604 1.00 0.00 C ATOM 0 H LEU A 21 3.687 12.036 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 21 1.846 14.298 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.912 12.501 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.314 12.468 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 21 1.739 14.873 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.609 15.547 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.232 15.397 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.893 14.124 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.060 14.190 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.170 12.662 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.401 13.027 -5.090 1.00 0.00 H new ATOM 334 N ARG A 22 3.547 15.888 -8.750 1.00 0.00 N ATOM 335 CA ARG A 22 4.560 16.827 -8.353 1.00 0.00 C ATOM 336 C ARG A 22 4.002 17.764 -7.322 1.00 0.00 C ATOM 337 O ARG A 22 3.226 18.665 -7.641 1.00 0.00 O ATOM 338 CB ARG A 22 5.119 17.645 -9.545 1.00 0.00 C ATOM 339 CG ARG A 22 5.714 16.836 -10.708 1.00 0.00 C ATOM 340 CD ARG A 22 4.638 16.207 -11.599 1.00 0.00 C ATOM 341 NE ARG A 22 3.809 17.230 -12.250 1.00 0.00 N ATOM 342 CZ ARG A 22 2.752 17.005 -13.049 1.00 0.00 C ATOM 343 NH1 ARG A 22 2.270 15.768 -13.226 1.00 0.00 N ATOM 344 NH2 ARG A 22 2.157 18.034 -13.628 1.00 0.00 N ATOM 0 H ARG A 22 2.833 16.271 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 22 5.387 16.251 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.316 18.269 -9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.889 18.317 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.346 17.487 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.355 16.050 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.112 15.585 -12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.005 15.553 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 22 4.059 18.204 -12.079 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.706 14.978 -12.751 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.467 15.616 -13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.502 18.980 -13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.353 17.882 -14.238 1.00 0.00 H new ATOM 358 N GLN A 23 4.349 17.543 -6.092 1.00 0.00 N ATOM 359 CA GLN A 23 3.880 18.387 -5.049 1.00 0.00 C ATOM 360 C GLN A 23 5.005 19.282 -4.643 1.00 0.00 C ATOM 361 O GLN A 23 5.982 18.801 -4.094 1.00 0.00 O ATOM 362 CB GLN A 23 3.435 17.560 -3.853 1.00 0.00 C ATOM 363 CG GLN A 23 2.295 16.584 -4.113 1.00 0.00 C ATOM 364 CD GLN A 23 0.958 17.230 -4.427 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.863 18.306 -5.022 1.00 0.00 O ATOM 366 NE2 GLN A 23 -0.084 16.578 -4.000 1.00 0.00 N ATOM 0 H GLN A 23 4.957 16.782 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 23 3.027 18.968 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.293 16.998 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.132 18.240 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.573 15.937 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.177 15.945 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.035 15.690 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.019 16.954 -4.154 1.00 0.00 H new ATOM 375 N GLY A 24 4.909 20.546 -4.978 1.00 0.00 N ATOM 376 CA GLY A 24 5.917 21.510 -4.594 1.00 0.00 C ATOM 377 C GLY A 24 7.266 21.219 -5.200 1.00 0.00 C ATOM 378 O GLY A 24 7.474 21.401 -6.397 1.00 0.00 O ATOM 0 H GLY A 24 4.138 20.935 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.595 22.506 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.007 21.522 -3.508 1.00 0.00 H new ATOM 382 N GLU A 25 8.171 20.741 -4.388 1.00 0.00 N ATOM 383 CA GLU A 25 9.499 20.437 -4.845 1.00 0.00 C ATOM 384 C GLU A 25 9.756 18.943 -4.849 1.00 0.00 C ATOM 385 O GLU A 25 10.877 18.493 -5.128 1.00 0.00 O ATOM 386 CB GLU A 25 10.543 21.154 -3.993 1.00 0.00 C ATOM 387 CG GLU A 25 10.474 22.667 -4.076 1.00 0.00 C ATOM 388 CD GLU A 25 11.500 23.338 -3.205 1.00 0.00 C ATOM 389 OE1 GLU A 25 12.673 23.415 -3.605 1.00 0.00 O ATOM 390 OE2 GLU A 25 11.149 23.814 -2.099 1.00 0.00 O ATOM 0 H GLU A 25 8.010 20.553 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 25 9.582 20.794 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.418 20.851 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.536 20.828 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.621 22.978 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.479 22.999 -3.781 1.00 0.00 H new ATOM 397 N ASN A 26 8.740 18.168 -4.583 1.00 0.00 N ATOM 398 CA ASN A 26 8.922 16.733 -4.458 1.00 0.00 C ATOM 399 C ASN A 26 8.145 16.041 -5.532 1.00 0.00 C ATOM 400 O ASN A 26 7.342 16.650 -6.241 1.00 0.00 O ATOM 401 CB ASN A 26 8.391 16.192 -3.110 1.00 0.00 C ATOM 402 CG ASN A 26 8.344 17.207 -2.013 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.284 17.387 -1.244 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.233 17.861 -1.923 1.00 0.00 N ATOM 0 H ASN A 26 7.783 18.494 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 26 9.993 16.543 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.388 15.793 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.020 15.361 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.111 18.560 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.479 17.678 -2.585 1.00 0.00 H new ATOM 411 N LEU A 27 8.373 14.787 -5.638 1.00 0.00 N ATOM 412 CA LEU A 27 7.637 13.931 -6.485 1.00 0.00 C ATOM 413 C LEU A 27 7.138 12.863 -5.561 1.00 0.00 C ATOM 414 O LEU A 27 7.930 12.245 -4.849 1.00 0.00 O ATOM 415 CB LEU A 27 8.567 13.358 -7.571 1.00 0.00 C ATOM 416 CG LEU A 27 7.944 12.548 -8.741 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.283 11.251 -8.282 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.974 13.398 -9.536 1.00 0.00 C ATOM 0 H LEU A 27 9.108 14.310 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 27 6.821 14.424 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.120 14.191 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.295 12.715 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 27 8.770 12.262 -9.392 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.866 10.730 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.025 10.616 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.485 11.480 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.553 12.806 -10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.171 13.741 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.499 14.259 -9.949 1.00 0.00 H new ATOM 430 N ILE A 28 5.860 12.700 -5.495 1.00 0.00 N ATOM 431 CA ILE A 28 5.298 11.721 -4.615 1.00 0.00 C ATOM 432 C ILE A 28 4.338 10.890 -5.421 1.00 0.00 C ATOM 433 O ILE A 28 3.827 11.356 -6.431 1.00 0.00 O ATOM 434 CB ILE A 28 4.489 12.364 -3.437 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.908 13.830 -3.164 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.682 11.534 -2.172 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.157 14.477 -2.014 1.00 0.00 C ATOM 0 H ILE A 28 5.180 13.231 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 28 6.115 11.140 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 28 3.439 12.373 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.976 13.859 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.748 14.418 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.119 11.982 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.325 10.519 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.740 11.507 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.505 15.502 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.089 14.481 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.337 13.913 -1.099 1.00 0.00 H new ATOM 449 N LEU A 29 4.082 9.677 -4.990 1.00 0.00 N ATOM 450 CA LEU A 29 3.077 8.856 -5.645 1.00 0.00 C ATOM 451 C LEU A 29 1.706 9.166 -5.051 1.00 0.00 C ATOM 452 O LEU A 29 0.705 8.512 -5.352 1.00 0.00 O ATOM 453 CB LEU A 29 3.387 7.359 -5.502 1.00 0.00 C ATOM 454 CG LEU A 29 4.715 6.847 -6.075 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.761 5.331 -6.039 1.00 0.00 C ATOM 456 CD2 LEU A 29 5.000 7.373 -7.481 1.00 0.00 C ATOM 0 H LEU A 29 4.548 9.235 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 29 3.083 9.092 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.362 7.111 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.580 6.803 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 29 5.507 7.239 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.710 4.986 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.665 4.988 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.941 4.928 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.953 6.976 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.204 7.057 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.047 8.462 -7.460 1.00 0.00 H new ATOM 468 N GLY A 30 1.669 10.150 -4.171 1.00 0.00 N ATOM 469 CA GLY A 30 0.442 10.577 -3.601 1.00 0.00 C ATOM 470 C GLY A 30 0.066 9.864 -2.326 1.00 0.00 C ATOM 471 O GLY A 30 -0.368 10.493 -1.373 1.00 0.00 O ATOM 0 H GLY A 30 2.490 10.660 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.501 11.647 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.354 10.433 -4.332 1.00 0.00 H new ATOM 475 N PHE A 31 0.173 8.562 -2.339 1.00 0.00 N ATOM 476 CA PHE A 31 -0.249 7.742 -1.228 1.00 0.00 C ATOM 477 C PHE A 31 0.864 7.565 -0.153 1.00 0.00 C ATOM 478 O PHE A 31 2.052 7.792 -0.421 1.00 0.00 O ATOM 479 CB PHE A 31 -0.742 6.380 -1.769 1.00 0.00 C ATOM 480 CG PHE A 31 0.329 5.508 -2.357 1.00 0.00 C ATOM 481 CD1 PHE A 31 1.036 4.635 -1.565 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.619 5.560 -3.696 1.00 0.00 C ATOM 483 CE1 PHE A 31 2.013 3.834 -2.091 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.600 4.761 -4.237 1.00 0.00 C ATOM 485 CZ PHE A 31 2.302 3.896 -3.431 1.00 0.00 C ATOM 0 H PHE A 31 0.557 8.035 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.068 8.249 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.227 5.837 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.501 6.561 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.817 4.580 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.070 6.237 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.556 3.154 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.818 4.813 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.076 3.270 -3.850 1.00 0.00 H new ATOM 495 N SER A 32 0.447 7.165 1.032 1.00 0.00 N ATOM 496 CA SER A 32 1.305 6.899 2.174 1.00 0.00 C ATOM 497 C SER A 32 1.210 5.409 2.524 1.00 0.00 C ATOM 498 O SER A 32 0.283 4.742 2.091 1.00 0.00 O ATOM 499 CB SER A 32 0.825 7.704 3.370 1.00 0.00 C ATOM 500 OG SER A 32 0.791 9.106 3.095 1.00 0.00 O ATOM 0 H SER A 32 -0.540 7.009 1.236 1.00 0.00 H new ATOM 0 HA SER A 32 2.332 7.173 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.171 7.367 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.482 7.517 4.219 1.00 0.00 H new ATOM 0 HG SER A 32 0.476 9.587 3.888 1.00 0.00 H new ATOM 506 N ILE A 33 2.125 4.909 3.346 1.00 0.00 N ATOM 507 CA ILE A 33 2.182 3.494 3.664 1.00 0.00 C ATOM 508 C ILE A 33 2.159 3.285 5.174 1.00 0.00 C ATOM 509 O ILE A 33 2.401 4.221 5.933 1.00 0.00 O ATOM 510 CB ILE A 33 3.461 2.826 3.083 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.717 3.137 3.925 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.660 3.299 1.667 1.00 0.00 C ATOM 513 CD1 ILE A 33 5.986 2.461 3.436 1.00 0.00 C ATOM 0 H ILE A 33 2.841 5.471 3.806 1.00 0.00 H new ATOM 0 HA ILE A 33 1.307 3.029 3.211 1.00 0.00 H new ATOM 0 HB ILE A 33 3.320 1.745 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.875 4.215 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.533 2.833 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.555 2.836 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.794 3.021 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.775 4.383 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.818 2.735 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.852 1.379 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.200 2.783 2.417 1.00 0.00 H new ATOM 525 N GLY A 34 1.907 2.064 5.600 1.00 0.00 N ATOM 526 CA GLY A 34 1.858 1.773 7.009 1.00 0.00 C ATOM 527 C GLY A 34 3.055 1.004 7.430 1.00 0.00 C ATOM 528 O GLY A 34 3.568 1.169 8.526 1.00 0.00 O ATOM 0 H GLY A 34 1.734 1.264 4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.800 2.703 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.956 1.204 7.236 1.00 0.00 H new ATOM 532 N GLY A 35 3.544 0.194 6.547 1.00 0.00 N ATOM 533 CA GLY A 35 4.706 -0.561 6.866 1.00 0.00 C ATOM 534 C GLY A 35 4.514 -2.020 6.722 1.00 0.00 C ATOM 535 O GLY A 35 3.420 -2.504 6.836 1.00 0.00 O ATOM 0 H GLY A 35 3.162 0.041 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.525 -0.244 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.004 -0.340 7.891 1.00 0.00 H new ATOM 539 N GLY A 36 5.606 -2.708 6.477 1.00 0.00 N ATOM 540 CA GLY A 36 5.566 -4.115 6.302 1.00 0.00 C ATOM 541 C GLY A 36 5.981 -4.876 7.514 1.00 0.00 C ATOM 542 O GLY A 36 5.460 -4.675 8.585 1.00 0.00 O ATOM 0 H GLY A 36 6.536 -2.297 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.554 -4.410 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.216 -4.389 5.471 1.00 0.00 H new ATOM 546 N ILE A 37 6.975 -5.696 7.346 1.00 0.00 N ATOM 547 CA ILE A 37 7.434 -6.618 8.393 1.00 0.00 C ATOM 548 C ILE A 37 8.025 -5.903 9.602 1.00 0.00 C ATOM 549 O ILE A 37 8.042 -6.439 10.693 1.00 0.00 O ATOM 550 CB ILE A 37 8.448 -7.667 7.871 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.831 -7.039 7.554 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.874 -8.373 6.654 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.854 -6.034 6.449 1.00 0.00 C ATOM 0 H ILE A 37 7.508 -5.760 6.479 1.00 0.00 H new ATOM 0 HA ILE A 37 6.530 -7.138 8.711 1.00 0.00 H new ATOM 0 HB ILE A 37 8.615 -8.398 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.208 -6.563 8.459 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.524 -7.842 7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.590 -9.110 6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.945 -8.874 6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.675 -7.642 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.870 -5.663 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.514 -6.502 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.194 -5.203 6.699 1.00 0.00 H new ATOM 565 N ASP A 38 8.478 -4.681 9.390 1.00 0.00 N ATOM 566 CA ASP A 38 9.074 -3.864 10.458 1.00 0.00 C ATOM 567 C ASP A 38 8.014 -3.492 11.502 1.00 0.00 C ATOM 568 O ASP A 38 8.320 -3.167 12.653 1.00 0.00 O ATOM 569 CB ASP A 38 9.671 -2.591 9.837 1.00 0.00 C ATOM 570 CG ASP A 38 10.357 -1.675 10.841 1.00 0.00 C ATOM 571 OD1 ASP A 38 9.693 -0.797 11.427 1.00 0.00 O ATOM 572 OD2 ASP A 38 11.575 -1.787 11.023 1.00 0.00 O ATOM 0 H ASP A 38 8.448 -4.219 8.481 1.00 0.00 H new ATOM 0 HA ASP A 38 9.858 -4.435 10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.391 -2.877 9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.877 -2.036 9.338 1.00 0.00 H new ATOM 577 N GLN A 39 6.768 -3.593 11.092 1.00 0.00 N ATOM 578 CA GLN A 39 5.632 -3.187 11.923 1.00 0.00 C ATOM 579 C GLN A 39 5.066 -4.431 12.648 1.00 0.00 C ATOM 580 O GLN A 39 5.697 -5.496 12.628 1.00 0.00 O ATOM 581 CB GLN A 39 4.556 -2.509 11.036 1.00 0.00 C ATOM 582 CG GLN A 39 5.110 -1.805 9.839 1.00 0.00 C ATOM 583 CD GLN A 39 6.123 -0.754 10.169 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.140 -0.711 9.376 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.049 -0.076 11.174 1.00 0.00 N flip ATOM 0 H GLN A 39 6.504 -3.957 10.177 1.00 0.00 H new ATOM 0 HA GLN A 39 5.951 -2.465 12.675 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.845 -3.265 10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.000 -1.793 11.641 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.566 -2.540 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.290 -1.345 9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.226 -0.141 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.809 0.558 11.418 1.00 0.00 H new ATOM 594 N ASP A 40 3.907 -4.316 13.284 1.00 0.00 N ATOM 595 CA ASP A 40 3.324 -5.459 14.006 1.00 0.00 C ATOM 596 C ASP A 40 1.862 -5.549 13.715 1.00 0.00 C ATOM 597 O ASP A 40 1.144 -4.598 13.996 1.00 0.00 O ATOM 598 CB ASP A 40 3.443 -5.299 15.498 1.00 0.00 C ATOM 599 CG ASP A 40 3.268 -6.611 16.215 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.108 -7.026 16.483 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.285 -7.262 16.511 1.00 0.00 O ATOM 0 H ASP A 40 3.353 -3.460 13.320 1.00 0.00 H new ATOM 0 HA ASP A 40 3.867 -6.345 13.676 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.418 -4.878 15.742 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.693 -4.590 15.849 1.00 0.00 H new ATOM 606 N PRO A 41 1.365 -6.711 13.241 1.00 0.00 N ATOM 607 CA PRO A 41 -0.033 -6.869 12.842 1.00 0.00 C ATOM 608 C PRO A 41 -1.028 -6.581 13.965 1.00 0.00 C ATOM 609 O PRO A 41 -2.154 -6.172 13.701 1.00 0.00 O ATOM 610 CB PRO A 41 -0.134 -8.327 12.385 1.00 0.00 C ATOM 611 CG PRO A 41 1.036 -9.005 12.989 1.00 0.00 C ATOM 612 CD PRO A 41 2.114 -7.971 13.070 1.00 0.00 C ATOM 0 HA PRO A 41 -0.295 -6.151 12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.067 -8.780 12.718 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.114 -8.401 11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.794 -9.395 13.978 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.353 -9.852 12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.786 -8.156 13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.725 -7.956 12.168 1.00 0.00 H new ATOM 620 N SER A 42 -0.593 -6.722 15.210 1.00 0.00 N ATOM 621 CA SER A 42 -1.482 -6.489 16.330 1.00 0.00 C ATOM 622 C SER A 42 -1.735 -4.990 16.488 1.00 0.00 C ATOM 623 O SER A 42 -2.833 -4.561 16.866 1.00 0.00 O ATOM 624 CB SER A 42 -0.910 -7.084 17.626 1.00 0.00 C ATOM 625 OG SER A 42 -1.833 -6.966 18.706 1.00 0.00 O ATOM 0 H SER A 42 0.357 -6.993 15.464 1.00 0.00 H new ATOM 0 HA SER A 42 -2.430 -6.989 16.129 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.665 -8.134 17.468 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.019 -6.575 17.882 1.00 0.00 H new ATOM 0 HG SER A 42 -1.441 -7.355 19.516 1.00 0.00 H new ATOM 631 N GLN A 43 -0.741 -4.193 16.154 1.00 0.00 N ATOM 632 CA GLN A 43 -0.863 -2.760 16.279 1.00 0.00 C ATOM 633 C GLN A 43 -0.883 -2.088 14.916 1.00 0.00 C ATOM 634 O GLN A 43 -0.711 -0.877 14.805 1.00 0.00 O ATOM 635 CB GLN A 43 0.216 -2.144 17.202 1.00 0.00 C ATOM 636 CG GLN A 43 1.653 -2.518 16.915 1.00 0.00 C ATOM 637 CD GLN A 43 2.233 -3.505 17.922 1.00 0.00 C ATOM 638 OE1 GLN A 43 1.413 -4.372 18.452 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.426 -3.489 18.199 1.00 0.00 N flip ATOM 0 H GLN A 43 0.158 -4.515 15.795 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.822 -2.570 16.762 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.130 -1.059 17.148 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.011 -2.431 18.229 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.716 -2.950 15.916 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.262 -1.614 16.911 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.041 -2.799 17.768 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.805 -4.166 18.861 1.00 0.00 H new ATOM 648 N ASN A 44 -1.123 -2.861 13.884 1.00 0.00 N ATOM 649 CA ASN A 44 -1.191 -2.323 12.553 1.00 0.00 C ATOM 650 C ASN A 44 -2.597 -2.183 12.096 1.00 0.00 C ATOM 651 O ASN A 44 -3.415 -3.075 12.309 1.00 0.00 O ATOM 652 CB ASN A 44 -0.439 -3.152 11.561 1.00 0.00 C ATOM 653 CG ASN A 44 1.046 -2.883 11.506 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.812 -3.765 11.171 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.467 -1.665 11.805 1.00 0.00 N ATOM 0 H ASN A 44 -1.275 -3.868 13.944 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.724 -1.340 12.606 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.595 -4.205 11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.862 -2.981 10.571 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.461 -1.443 11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.797 -0.948 12.083 1.00 0.00 H new ATOM 662 N PRO A 45 -2.894 -1.093 11.404 1.00 0.00 N ATOM 663 CA PRO A 45 -4.246 -0.790 10.971 1.00 0.00 C ATOM 664 C PRO A 45 -4.769 -1.747 9.912 1.00 0.00 C ATOM 665 O PRO A 45 -5.881 -2.247 10.018 1.00 0.00 O ATOM 666 CB PRO A 45 -4.121 0.617 10.406 1.00 0.00 C ATOM 667 CG PRO A 45 -2.696 0.746 9.988 1.00 0.00 C ATOM 668 CD PRO A 45 -1.922 -0.052 10.975 1.00 0.00 C ATOM 0 HA PRO A 45 -4.959 -0.882 11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.794 0.763 9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.381 1.366 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.548 0.370 8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.379 1.789 9.990 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.031 -0.492 10.527 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.589 0.558 11.814 1.00 0.00 H new ATOM 676 N PHE A 46 -3.954 -2.014 8.919 1.00 0.00 N ATOM 677 CA PHE A 46 -4.363 -2.829 7.800 1.00 0.00 C ATOM 678 C PHE A 46 -3.459 -4.033 7.705 1.00 0.00 C ATOM 679 O PHE A 46 -3.165 -4.529 6.609 1.00 0.00 O ATOM 680 CB PHE A 46 -4.272 -2.005 6.513 1.00 0.00 C ATOM 681 CG PHE A 46 -4.958 -0.672 6.608 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.336 -0.570 6.522 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.216 0.478 6.795 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.954 0.659 6.621 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.826 1.700 6.895 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.191 1.797 6.810 1.00 0.00 C ATOM 0 H PHE A 46 -2.994 -1.674 8.864 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.391 -3.162 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.222 -1.848 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.712 -2.574 5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.931 -1.459 6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.140 0.413 6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.029 0.732 6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.231 2.589 7.041 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.670 2.762 6.891 1.00 0.00 H new ATOM 696 N SER A 47 -2.981 -4.489 8.838 1.00 0.00 N ATOM 697 CA SER A 47 -2.160 -5.682 8.820 1.00 0.00 C ATOM 698 C SER A 47 -2.658 -6.698 9.823 1.00 0.00 C ATOM 699 O SER A 47 -2.057 -7.752 9.997 1.00 0.00 O ATOM 700 CB SER A 47 -0.707 -5.349 9.092 1.00 0.00 C ATOM 701 OG SER A 47 0.163 -6.255 8.423 1.00 0.00 O ATOM 0 H SER A 47 -3.137 -4.072 9.756 1.00 0.00 H new ATOM 0 HA SER A 47 -2.233 -6.115 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.497 -4.331 8.765 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.518 -5.384 10.165 1.00 0.00 H new ATOM 0 HG SER A 47 -0.123 -7.175 8.602 1.00 0.00 H new ATOM 782 N LYS A 53 2.283 -9.469 7.379 1.00 0.00 N ATOM 783 CA LYS A 53 2.721 -8.115 7.233 1.00 0.00 C ATOM 784 C LYS A 53 3.081 -7.825 5.789 1.00 0.00 C ATOM 785 O LYS A 53 3.132 -8.727 4.956 1.00 0.00 O ATOM 786 CB LYS A 53 3.908 -7.853 8.148 1.00 0.00 C ATOM 787 CG LYS A 53 3.537 -7.885 9.611 1.00 0.00 C ATOM 788 CD LYS A 53 4.733 -7.689 10.522 1.00 0.00 C ATOM 789 CE LYS A 53 5.683 -8.880 10.510 1.00 0.00 C ATOM 790 NZ LYS A 53 6.789 -8.741 11.504 1.00 0.00 N ATOM 0 HA LYS A 53 1.907 -7.448 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.680 -8.599 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.338 -6.881 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.801 -7.107 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.063 -8.839 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.275 -6.794 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.385 -7.518 11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.122 -9.790 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.108 -8.992 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.537 -9.431 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.181 -7.779 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.420 -8.916 12.461 1.00 0.00 H new ATOM 804 N GLY A 54 3.365 -6.592 5.516 1.00 0.00 N ATOM 805 CA GLY A 54 3.653 -6.152 4.166 1.00 0.00 C ATOM 806 C GLY A 54 3.313 -4.704 4.039 1.00 0.00 C ATOM 807 O GLY A 54 2.569 -4.220 4.821 1.00 0.00 O ATOM 0 H GLY A 54 3.407 -5.851 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.706 -6.312 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.077 -6.737 3.449 1.00 0.00 H new ATOM 811 N ILE A 55 3.903 -4.012 3.105 1.00 0.00 N ATOM 812 CA ILE A 55 3.644 -2.604 2.911 1.00 0.00 C ATOM 813 C ILE A 55 2.272 -2.410 2.325 1.00 0.00 C ATOM 814 O ILE A 55 1.912 -3.054 1.362 1.00 0.00 O ATOM 815 CB ILE A 55 4.706 -1.940 1.983 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.101 -2.123 2.574 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.401 -0.450 1.793 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.323 -1.359 3.843 1.00 0.00 C ATOM 0 H ILE A 55 4.580 -4.406 2.452 1.00 0.00 H new ATOM 0 HA ILE A 55 3.703 -2.122 3.887 1.00 0.00 H new ATOM 0 HB ILE A 55 4.668 -2.424 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.269 -3.183 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.842 -1.810 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.154 -0.005 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.416 -0.335 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.416 0.051 2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.336 -1.538 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.188 -0.294 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.607 -1.688 4.596 1.00 0.00 H new ATOM 830 N TYR A 56 1.525 -1.564 2.940 1.00 0.00 N ATOM 831 CA TYR A 56 0.215 -1.217 2.495 1.00 0.00 C ATOM 832 C TYR A 56 0.054 0.245 2.599 1.00 0.00 C ATOM 833 O TYR A 56 0.798 0.897 3.343 1.00 0.00 O ATOM 834 CB TYR A 56 -0.861 -1.924 3.318 1.00 0.00 C ATOM 835 CG TYR A 56 -0.559 -1.919 4.779 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.859 -0.842 5.590 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.068 -2.984 5.328 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.537 -0.862 6.917 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.396 -3.026 6.629 1.00 0.00 C ATOM 840 CZ TYR A 56 0.088 -1.956 7.435 1.00 0.00 C ATOM 841 OH TYR A 56 0.405 -1.975 8.742 1.00 0.00 O ATOM 0 H TYR A 56 1.812 -1.079 3.790 1.00 0.00 H new ATOM 0 HA TYR A 56 0.097 -1.538 1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.822 -1.438 3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.959 -2.954 2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.352 0.023 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.313 -3.828 4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.775 -0.019 7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.897 -3.891 7.038 1.00 0.00 H new ATOM 0 HH TYR A 56 0.578 -1.061 9.050 1.00 0.00 H new ATOM 851 N VAL A 57 -0.884 0.729 1.897 1.00 0.00 N ATOM 852 CA VAL A 57 -1.219 2.091 1.844 1.00 0.00 C ATOM 853 C VAL A 57 -2.172 2.431 2.971 1.00 0.00 C ATOM 854 O VAL A 57 -3.148 1.707 3.225 1.00 0.00 O ATOM 855 CB VAL A 57 -1.858 2.408 0.486 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.286 3.836 0.394 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.893 2.085 -0.616 1.00 0.00 C ATOM 0 H VAL A 57 -1.479 0.149 1.305 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.318 2.693 1.960 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.751 1.791 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.733 4.020 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.018 4.048 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.420 4.485 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.351 2.312 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.011 2.682 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.637 1.026 -0.576 1.00 0.00 H new ATOM 867 N THR A 58 -1.873 3.496 3.656 1.00 0.00 N ATOM 868 CA THR A 58 -2.668 3.951 4.757 1.00 0.00 C ATOM 869 C THR A 58 -3.501 5.163 4.365 1.00 0.00 C ATOM 870 O THR A 58 -4.578 5.410 4.903 1.00 0.00 O ATOM 871 CB THR A 58 -1.739 4.288 5.905 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.598 5.010 5.392 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.300 3.022 6.616 1.00 0.00 C ATOM 0 H THR A 58 -1.059 4.080 3.462 1.00 0.00 H new ATOM 0 HA THR A 58 -3.363 3.167 5.057 1.00 0.00 H new ATOM 0 HB THR A 58 -2.262 4.914 6.628 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.007 5.233 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.633 3.279 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.175 2.502 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.777 2.373 5.914 1.00 0.00 H new ATOM 881 N ARG A 59 -3.000 5.888 3.412 1.00 0.00 N ATOM 882 CA ARG A 59 -3.625 7.063 2.865 1.00 0.00 C ATOM 883 C ARG A 59 -3.304 7.062 1.426 1.00 0.00 C ATOM 884 O ARG A 59 -2.169 6.838 1.094 1.00 0.00 O ATOM 885 CB ARG A 59 -2.977 8.330 3.402 1.00 0.00 C ATOM 886 CG ARG A 59 -3.293 8.784 4.803 1.00 0.00 C ATOM 887 CD ARG A 59 -2.607 10.129 5.039 1.00 0.00 C ATOM 888 NE ARG A 59 -2.764 10.639 6.399 1.00 0.00 N ATOM 889 CZ ARG A 59 -2.544 11.911 6.772 1.00 0.00 C ATOM 890 NH1 ARG A 59 -2.241 12.836 5.858 1.00 0.00 N ATOM 891 NH2 ARG A 59 -2.620 12.255 8.057 1.00 0.00 N ATOM 0 H ARG A 59 -2.106 5.671 2.972 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.688 7.048 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.897 8.198 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.241 9.144 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.371 8.879 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.945 8.048 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.544 10.028 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.010 10.860 4.338 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.063 9.981 7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.176 12.578 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.075 13.801 6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.846 11.552 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.452 13.221 8.337 1.00 0.00 H new ATOM 905 N VAL A 60 -4.234 7.284 0.560 1.00 0.00 N ATOM 906 CA VAL A 60 -3.923 7.415 -0.744 1.00 0.00 C ATOM 907 C VAL A 60 -3.843 8.893 -1.024 1.00 0.00 C ATOM 908 O VAL A 60 -3.947 9.696 -0.091 1.00 0.00 O ATOM 909 CB VAL A 60 -4.949 6.720 -1.608 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.986 5.224 -1.348 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.313 7.343 -1.531 1.00 0.00 C ATOM 0 H VAL A 60 -5.226 7.373 0.781 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.969 6.943 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.620 6.863 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.737 4.762 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.009 4.793 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.239 5.042 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.000 6.795 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.672 7.306 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.258 8.381 -1.859 1.00 0.00 H new ATOM 921 N SER A 61 -3.642 9.267 -2.243 1.00 0.00 N ATOM 922 CA SER A 61 -3.550 10.631 -2.572 1.00 0.00 C ATOM 923 C SER A 61 -4.909 11.277 -2.378 1.00 0.00 C ATOM 924 O SER A 61 -5.897 10.766 -2.866 1.00 0.00 O ATOM 925 CB SER A 61 -3.132 10.716 -3.995 1.00 0.00 C ATOM 926 OG SER A 61 -2.296 9.637 -4.303 1.00 0.00 O ATOM 0 H SER A 61 -3.538 8.629 -3.032 1.00 0.00 H new ATOM 0 HA SER A 61 -2.828 11.148 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.008 10.707 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.611 11.656 -4.176 1.00 0.00 H new ATOM 0 HG SER A 61 -1.822 9.819 -5.141 1.00 0.00 H new ATOM 932 N GLU A 62 -4.940 12.341 -1.607 1.00 0.00 N ATOM 933 CA GLU A 62 -6.149 13.152 -1.332 1.00 0.00 C ATOM 934 C GLU A 62 -6.934 13.526 -2.619 1.00 0.00 C ATOM 935 O GLU A 62 -8.146 13.777 -2.578 1.00 0.00 O ATOM 936 CB GLU A 62 -5.733 14.425 -0.593 1.00 0.00 C ATOM 937 CG GLU A 62 -4.692 15.238 -1.352 1.00 0.00 C ATOM 938 CD GLU A 62 -4.358 16.544 -0.711 1.00 0.00 C ATOM 939 OE1 GLU A 62 -5.090 17.518 -0.933 1.00 0.00 O ATOM 940 OE2 GLU A 62 -3.338 16.631 0.004 1.00 0.00 O ATOM 0 H GLU A 62 -4.110 12.693 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.819 12.547 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.614 15.043 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.335 14.157 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.781 14.647 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.056 15.423 -2.362 1.00 0.00 H new ATOM 947 N GLY A 63 -6.233 13.555 -3.717 1.00 0.00 N ATOM 948 CA GLY A 63 -6.770 13.877 -4.988 1.00 0.00 C ATOM 949 C GLY A 63 -5.671 13.718 -5.973 1.00 0.00 C ATOM 950 O GLY A 63 -5.266 14.667 -6.661 1.00 0.00 O ATOM 0 H GLY A 63 -5.235 13.345 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.605 13.220 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.153 14.897 -4.998 1.00 0.00 H new ATOM 954 N GLY A 64 -5.135 12.528 -6.007 1.00 0.00 N ATOM 955 CA GLY A 64 -3.984 12.287 -6.797 1.00 0.00 C ATOM 956 C GLY A 64 -4.011 10.971 -7.509 1.00 0.00 C ATOM 957 O GLY A 64 -5.006 10.237 -7.419 1.00 0.00 O ATOM 0 H GLY A 64 -5.485 11.719 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.884 13.086 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.101 12.328 -6.159 1.00 0.00 H new ATOM 961 N PRO A 65 -2.859 10.583 -8.079 1.00 0.00 N ATOM 962 CA PRO A 65 -2.730 9.441 -8.990 1.00 0.00 C ATOM 963 C PRO A 65 -3.140 8.128 -8.358 1.00 0.00 C ATOM 964 O PRO A 65 -3.702 7.273 -9.021 1.00 0.00 O ATOM 965 CB PRO A 65 -1.242 9.418 -9.337 1.00 0.00 C ATOM 966 CG PRO A 65 -0.580 10.174 -8.244 1.00 0.00 C ATOM 967 CD PRO A 65 -1.558 11.205 -7.811 1.00 0.00 C ATOM 0 HA PRO A 65 -3.385 9.551 -9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.866 8.397 -9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.056 9.881 -10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.316 9.514 -7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.345 10.635 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.441 11.450 -6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.435 12.133 -8.369 1.00 0.00 H new ATOM 975 N ALA A 66 -2.877 7.982 -7.067 1.00 0.00 N ATOM 976 CA ALA A 66 -3.221 6.767 -6.353 1.00 0.00 C ATOM 977 C ALA A 66 -4.708 6.471 -6.450 1.00 0.00 C ATOM 978 O ALA A 66 -5.095 5.429 -6.983 1.00 0.00 O ATOM 979 CB ALA A 66 -2.761 6.817 -4.911 1.00 0.00 C ATOM 0 H ALA A 66 -2.425 8.694 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.689 5.946 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.037 5.890 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.678 6.939 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.237 7.658 -4.406 1.00 0.00 H new ATOM 985 N GLU A 67 -5.548 7.399 -6.010 1.00 0.00 N ATOM 986 CA GLU A 67 -6.989 7.152 -6.086 1.00 0.00 C ATOM 987 C GLU A 67 -7.543 7.296 -7.500 1.00 0.00 C ATOM 988 O GLU A 67 -8.617 6.772 -7.808 1.00 0.00 O ATOM 989 CB GLU A 67 -7.801 7.974 -5.106 1.00 0.00 C ATOM 990 CG GLU A 67 -7.561 9.462 -5.131 1.00 0.00 C ATOM 991 CD GLU A 67 -8.668 10.188 -4.409 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.054 9.758 -3.295 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.217 11.158 -4.965 1.00 0.00 O ATOM 0 H GLU A 67 -5.276 8.297 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.099 6.109 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.858 7.794 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.595 7.610 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.603 9.690 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.502 9.810 -6.162 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.827 8.018 -8.345 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.201 8.157 -9.746 1.00 0.00 C ATOM 1002 C ILE A 68 -7.044 6.814 -10.455 1.00 0.00 C ATOM 1003 O ILE A 68 -7.901 6.394 -11.234 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.335 9.247 -10.459 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.657 10.652 -9.926 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.458 9.199 -11.982 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.103 11.070 -10.067 1.00 0.00 C ATOM 0 H ILE A 68 -5.978 8.520 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.243 8.474 -9.793 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.296 9.018 -10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.382 10.697 -8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.032 11.375 -10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.835 9.978 -12.422 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.129 8.224 -12.343 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.497 9.360 -12.268 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.232 12.074 -9.664 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.383 11.063 -11.121 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.738 10.374 -9.519 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.966 6.137 -10.148 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.672 4.860 -10.757 1.00 0.00 C ATOM 1021 C ALA A 69 -6.455 3.739 -10.094 1.00 0.00 C ATOM 1022 O ALA A 69 -7.000 2.863 -10.769 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.195 4.579 -10.711 1.00 0.00 C ATOM 0 H ALA A 69 -5.269 6.452 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.981 4.908 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.994 3.613 -11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.659 5.359 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.860 4.561 -9.674 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.527 3.757 -8.791 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.294 2.742 -8.111 1.00 0.00 C ATOM 1031 C GLY A 70 -6.573 2.131 -6.946 1.00 0.00 C ATOM 1032 O GLY A 70 -6.889 1.027 -6.530 1.00 0.00 O ATOM 0 H GLY A 70 -6.076 4.445 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.230 3.178 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.553 1.957 -8.821 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.592 2.826 -6.436 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.904 2.387 -5.259 1.00 0.00 C ATOM 1038 C LEU A 71 -5.805 2.670 -4.090 1.00 0.00 C ATOM 1039 O LEU A 71 -6.202 3.807 -3.864 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.513 3.069 -5.150 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.599 2.735 -3.943 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.909 1.354 -3.380 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.179 2.696 -4.437 1.00 0.00 C ATOM 0 H LEU A 71 -5.251 3.706 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.693 1.318 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.958 2.830 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.675 4.147 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.757 3.487 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.251 1.150 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.947 1.321 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.751 0.602 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.511 2.463 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.082 1.930 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.912 3.667 -4.855 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.199 1.621 -3.426 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.125 1.698 -2.337 1.00 0.00 C ATOM 1057 C GLN A 72 -6.417 1.357 -1.062 1.00 0.00 C ATOM 1058 O GLN A 72 -5.655 0.417 -1.024 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.284 0.720 -2.565 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.047 0.940 -3.857 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.739 2.279 -3.904 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.026 3.284 -4.298 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.896 2.411 -3.516 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.880 0.674 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.525 2.710 -2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.891 -0.297 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.979 0.799 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.359 0.862 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.787 0.149 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.428 1.596 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.325 3.336 -3.497 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.674 2.132 -0.051 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.107 1.952 1.293 1.00 0.00 C ATOM 1074 C ILE A 73 -6.363 0.519 1.823 1.00 0.00 C ATOM 1075 O ILE A 73 -7.413 -0.087 1.541 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.767 2.961 2.265 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.584 4.399 1.776 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.226 2.811 3.669 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -7.243 5.448 2.645 1.00 0.00 C ATOM 0 H ILE A 73 -7.299 2.935 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.031 2.118 1.232 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.834 2.738 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.517 4.615 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.985 4.479 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.711 3.534 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.426 1.802 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.151 2.988 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.062 6.436 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.316 5.263 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.826 5.401 3.651 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.403 -0.018 2.554 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.561 -1.373 3.127 1.00 0.00 C ATOM 1093 C GLY A 74 -5.456 -2.440 2.062 1.00 0.00 C ATOM 1094 O GLY A 74 -6.177 -3.461 2.055 1.00 0.00 O ATOM 0 H GLY A 74 -4.517 0.439 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.797 -1.539 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.528 -1.448 3.625 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.595 -2.163 1.162 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.317 -2.938 -0.008 1.00 0.00 C ATOM 1100 C ASP A 75 -3.303 -4.093 0.211 1.00 0.00 C ATOM 1101 O ASP A 75 -3.612 -5.256 -0.086 1.00 0.00 O ATOM 1102 CB ASP A 75 -3.800 -1.954 -1.055 1.00 0.00 C ATOM 1103 CG ASP A 75 -2.554 -1.203 -0.627 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -2.413 -0.901 0.591 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -1.726 -0.943 -1.449 1.00 0.00 O ATOM 0 H ASP A 75 -4.015 -1.326 1.217 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.230 -3.444 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.587 -2.497 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.586 -1.234 -1.283 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.147 -3.773 0.774 1.00 0.00 N ATOM 1111 CA LYS A 76 -0.977 -4.674 0.862 1.00 0.00 C ATOM 1112 C LYS A 76 -0.402 -4.835 -0.535 1.00 0.00 C ATOM 1113 O LYS A 76 -0.929 -5.584 -1.384 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.214 -6.071 1.504 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.689 -6.102 2.957 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.633 -7.545 3.473 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.472 -7.785 4.729 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.074 -6.986 5.893 1.00 0.00 N ATOM 0 H LYS A 76 -1.979 -2.860 1.197 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.287 -4.191 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.948 -6.601 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.283 -6.634 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.060 -5.458 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.706 -5.716 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.975 -8.216 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.596 -7.805 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.516 -7.572 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.413 -8.841 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.227 -7.538 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.068 -6.735 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.645 -6.118 5.930 1.00 0.00 H new ATOM 1132 N ILE A 77 0.640 -4.118 -0.771 1.00 0.00 N ATOM 1133 CA ILE A 77 1.275 -4.046 -2.044 1.00 0.00 C ATOM 1134 C ILE A 77 2.231 -5.204 -2.211 1.00 0.00 C ATOM 1135 O ILE A 77 3.073 -5.461 -1.351 1.00 0.00 O ATOM 1136 CB ILE A 77 2.051 -2.746 -2.142 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.143 -1.614 -1.716 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.487 -2.542 -3.581 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.847 -0.432 -1.164 1.00 0.00 C ATOM 0 H ILE A 77 1.091 -3.544 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 77 0.516 -4.089 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 77 2.931 -2.774 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.550 -1.299 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.445 -1.988 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.046 -1.610 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.120 -3.373 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.608 -2.496 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.118 0.329 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.418 -0.727 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.524 -0.027 -1.917 1.00 0.00 H new ATOM 1151 N MET A 78 2.123 -5.876 -3.318 1.00 0.00 N ATOM 1152 CA MET A 78 2.911 -7.037 -3.580 1.00 0.00 C ATOM 1153 C MET A 78 3.925 -6.751 -4.661 1.00 0.00 C ATOM 1154 O MET A 78 4.974 -7.370 -4.719 1.00 0.00 O ATOM 1155 CB MET A 78 2.017 -8.217 -3.977 1.00 0.00 C ATOM 1156 CG MET A 78 1.010 -8.687 -2.911 1.00 0.00 C ATOM 1157 SD MET A 78 1.703 -9.725 -1.565 1.00 0.00 S ATOM 1158 CE MET A 78 2.774 -8.614 -0.647 1.00 0.00 C ATOM 0 H MET A 78 1.479 -5.629 -4.070 1.00 0.00 H new ATOM 0 HA MET A 78 3.445 -7.305 -2.668 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.464 -7.943 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.656 -9.059 -4.241 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.545 -7.808 -2.464 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.219 -9.249 -3.408 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.935 -9.010 0.356 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.732 -8.525 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.307 -7.632 -0.579 1.00 0.00 H new ATOM 1168 N GLN A 79 3.654 -5.761 -5.471 1.00 0.00 N ATOM 1169 CA GLN A 79 4.508 -5.465 -6.589 1.00 0.00 C ATOM 1170 C GLN A 79 4.555 -3.957 -6.748 1.00 0.00 C ATOM 1171 O GLN A 79 3.543 -3.322 -6.647 1.00 0.00 O ATOM 1172 CB GLN A 79 3.908 -6.120 -7.839 1.00 0.00 C ATOM 1173 CG GLN A 79 4.849 -6.484 -8.986 1.00 0.00 C ATOM 1174 CD GLN A 79 5.503 -5.306 -9.627 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.688 -5.023 -9.214 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 4.970 -4.702 -10.546 1.00 0.00 N flip ATOM 0 H GLN A 79 2.846 -5.145 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 79 5.518 -5.847 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.398 -7.031 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.146 -5.448 -8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.621 -7.156 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.289 -7.033 -9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.028 -4.956 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.467 -3.944 -11.014 1.00 0.00 H new ATOM 1185 N VAL A 80 5.727 -3.410 -6.934 1.00 0.00 N ATOM 1186 CA VAL A 80 5.919 -1.977 -7.173 1.00 0.00 C ATOM 1187 C VAL A 80 6.996 -1.798 -8.229 1.00 0.00 C ATOM 1188 O VAL A 80 8.104 -2.254 -8.039 1.00 0.00 O ATOM 1189 CB VAL A 80 6.341 -1.204 -5.868 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.860 0.206 -6.164 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.189 -1.114 -4.907 1.00 0.00 C ATOM 0 H VAL A 80 6.597 -3.943 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 80 4.968 -1.562 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 80 7.154 -1.776 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.137 0.695 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.733 0.143 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.080 0.784 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.503 -0.576 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.362 -0.583 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.865 -2.118 -4.632 1.00 0.00 H new ATOM 1201 N ASN A 81 6.608 -1.259 -9.367 1.00 0.00 N ATOM 1202 CA ASN A 81 7.492 -0.865 -10.475 1.00 0.00 C ATOM 1203 C ASN A 81 8.497 -1.958 -10.850 1.00 0.00 C ATOM 1204 O ASN A 81 9.691 -1.717 -10.942 1.00 0.00 O ATOM 1205 CB ASN A 81 8.226 0.428 -10.138 1.00 0.00 C ATOM 1206 CG ASN A 81 8.762 1.135 -11.372 1.00 0.00 C ATOM 1207 OD1 ASN A 81 9.829 1.747 -11.342 1.00 0.00 O ATOM 1208 ND2 ASN A 81 7.997 1.099 -12.443 1.00 0.00 N ATOM 0 H ASN A 81 5.626 -1.070 -9.566 1.00 0.00 H new ATOM 0 HA ASN A 81 6.853 -0.706 -11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.550 1.097 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.053 0.207 -9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.282 1.591 -13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.119 0.579 -12.426 1.00 0.00 H new ATOM 1215 N GLY A 82 7.999 -3.155 -11.045 1.00 0.00 N ATOM 1216 CA GLY A 82 8.854 -4.302 -11.353 1.00 0.00 C ATOM 1217 C GLY A 82 9.823 -4.755 -10.211 1.00 0.00 C ATOM 1218 O GLY A 82 10.377 -5.858 -10.278 1.00 0.00 O ATOM 0 H GLY A 82 7.003 -3.372 -10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.217 -5.145 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.449 -4.062 -12.234 1.00 0.00 H new ATOM 1222 N TRP A 83 9.982 -3.944 -9.155 1.00 0.00 N ATOM 1223 CA TRP A 83 10.961 -4.235 -8.083 1.00 0.00 C ATOM 1224 C TRP A 83 10.484 -5.346 -7.158 1.00 0.00 C ATOM 1225 O TRP A 83 11.289 -5.994 -6.500 1.00 0.00 O ATOM 1226 CB TRP A 83 11.346 -2.935 -7.298 1.00 0.00 C ATOM 1227 CG TRP A 83 10.849 -2.807 -5.858 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.599 -2.464 -5.433 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.629 -2.977 -4.668 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.552 -2.433 -4.052 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.780 -2.745 -3.571 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.961 -3.316 -4.422 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.210 -2.832 -2.269 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.387 -3.403 -3.113 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.513 -3.162 -2.052 1.00 0.00 C ATOM 0 H TRP A 83 9.451 -3.084 -9.015 1.00 0.00 H new ATOM 0 HA TRP A 83 11.868 -4.604 -8.562 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.433 -2.858 -7.287 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.972 -2.079 -7.860 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.764 -2.247 -6.083 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.731 -2.212 -3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.642 -3.506 -5.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.537 -2.645 -1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.415 -3.662 -2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.878 -3.239 -1.038 1.00 0.00 H new ATOM 1246 N ASP A 84 9.162 -5.552 -7.152 1.00 0.00 N ATOM 1247 CA ASP A 84 8.466 -6.568 -6.355 1.00 0.00 C ATOM 1248 C ASP A 84 8.463 -6.141 -4.896 1.00 0.00 C ATOM 1249 O ASP A 84 9.495 -6.083 -4.249 1.00 0.00 O ATOM 1250 CB ASP A 84 9.091 -7.931 -6.560 1.00 0.00 C ATOM 1251 CG ASP A 84 8.238 -9.071 -6.127 1.00 0.00 C ATOM 1252 OD1 ASP A 84 7.010 -8.939 -6.131 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.791 -10.159 -5.858 1.00 0.00 O ATOM 0 H ASP A 84 8.525 -4.996 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 84 7.430 -6.653 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.329 -8.053 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.034 -7.971 -6.014 1.00 0.00 H new ATOM 1258 N MET A 85 7.292 -5.862 -4.393 1.00 0.00 N ATOM 1259 CA MET A 85 7.139 -5.181 -3.110 1.00 0.00 C ATOM 1260 C MET A 85 6.966 -6.177 -1.985 1.00 0.00 C ATOM 1261 O MET A 85 6.899 -5.809 -0.811 1.00 0.00 O ATOM 1262 CB MET A 85 5.921 -4.289 -3.185 1.00 0.00 C ATOM 1263 CG MET A 85 5.842 -3.236 -2.115 1.00 0.00 C ATOM 1264 SD MET A 85 7.183 -2.062 -2.263 1.00 0.00 S ATOM 1265 CE MET A 85 6.665 -0.873 -1.079 1.00 0.00 C ATOM 0 H MET A 85 6.410 -6.094 -4.850 1.00 0.00 H new ATOM 0 HA MET A 85 8.035 -4.594 -2.908 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.907 -3.799 -4.159 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.028 -4.912 -3.128 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.888 -2.713 -2.185 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.875 -3.708 -1.133 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.264 0.031 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.614 -0.633 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.795 -1.278 -0.076 1.00 0.00 H new ATOM 1275 N THR A 86 6.811 -7.411 -2.359 1.00 0.00 N ATOM 1276 CA THR A 86 6.704 -8.497 -1.415 1.00 0.00 C ATOM 1277 C THR A 86 7.854 -8.458 -0.352 1.00 0.00 C ATOM 1278 O THR A 86 9.041 -8.356 -0.689 1.00 0.00 O ATOM 1279 CB THR A 86 6.686 -9.867 -2.154 1.00 0.00 C ATOM 1280 OG1 THR A 86 6.452 -10.929 -1.231 1.00 0.00 O ATOM 1281 CG2 THR A 86 7.999 -10.110 -2.860 1.00 0.00 C ATOM 0 H THR A 86 6.754 -7.701 -3.335 1.00 0.00 H new ATOM 0 HA THR A 86 5.761 -8.376 -0.882 1.00 0.00 H new ATOM 0 HB THR A 86 5.881 -9.839 -2.889 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.442 -11.783 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.965 -11.073 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.172 -9.319 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.809 -10.114 -2.131 1.00 0.00 H new ATOM 1289 N MET A 87 7.445 -8.459 0.909 1.00 0.00 N ATOM 1290 CA MET A 87 8.327 -8.525 2.076 1.00 0.00 C ATOM 1291 C MET A 87 9.427 -7.428 2.080 1.00 0.00 C ATOM 1292 O MET A 87 10.576 -7.667 1.688 1.00 0.00 O ATOM 1293 CB MET A 87 8.941 -9.927 2.188 1.00 0.00 C ATOM 1294 CG MET A 87 9.521 -10.245 3.558 1.00 0.00 C ATOM 1295 SD MET A 87 10.139 -11.934 3.679 1.00 0.00 S ATOM 1296 CE MET A 87 10.667 -11.975 5.387 1.00 0.00 C ATOM 0 H MET A 87 6.458 -8.412 1.161 1.00 0.00 H new ATOM 0 HA MET A 87 7.712 -8.327 2.954 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.177 -10.666 1.949 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.728 -10.028 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.332 -9.550 3.775 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.755 -10.088 4.317 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.075 -12.959 5.618 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.433 -11.217 5.549 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.815 -11.774 6.036 1.00 0.00 H new ATOM 1306 N VAL A 88 9.064 -6.230 2.500 1.00 0.00 N ATOM 1307 CA VAL A 88 9.999 -5.117 2.556 1.00 0.00 C ATOM 1308 C VAL A 88 9.676 -4.227 3.764 1.00 0.00 C ATOM 1309 O VAL A 88 8.504 -4.157 4.215 1.00 0.00 O ATOM 1310 CB VAL A 88 9.980 -4.282 1.234 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.611 -3.709 0.959 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.016 -3.178 1.268 1.00 0.00 C ATOM 0 H VAL A 88 8.120 -6.000 2.810 1.00 0.00 H new ATOM 0 HA VAL A 88 11.005 -5.522 2.669 1.00 0.00 H new ATOM 0 HB VAL A 88 10.230 -4.964 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.636 -3.135 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.889 -4.520 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.317 -3.057 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.979 -2.615 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.808 -2.510 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.008 -3.613 1.389 1.00 0.00 H new ATOM 1322 N THR A 89 10.705 -3.625 4.338 1.00 0.00 N ATOM 1323 CA THR A 89 10.566 -2.736 5.453 1.00 0.00 C ATOM 1324 C THR A 89 9.891 -1.459 5.042 1.00 0.00 C ATOM 1325 O THR A 89 9.902 -1.095 3.871 1.00 0.00 O ATOM 1326 CB THR A 89 11.937 -2.411 6.086 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.914 -2.184 5.051 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.386 -3.517 7.014 1.00 0.00 C ATOM 0 H THR A 89 11.669 -3.750 4.029 1.00 0.00 H new ATOM 0 HA THR A 89 9.949 -3.244 6.194 1.00 0.00 H new ATOM 0 HB THR A 89 11.836 -1.503 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.713 -2.721 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.354 -3.260 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.655 -3.641 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.473 -4.448 6.454 1.00 0.00 H new ATOM 1336 N HIS A 90 9.295 -0.795 6.007 1.00 0.00 N ATOM 1337 CA HIS A 90 8.658 0.496 5.798 1.00 0.00 C ATOM 1338 C HIS A 90 9.680 1.456 5.220 1.00 0.00 C ATOM 1339 O HIS A 90 9.390 2.177 4.291 1.00 0.00 O ATOM 1340 CB HIS A 90 8.130 1.023 7.142 1.00 0.00 C ATOM 1341 CG HIS A 90 7.330 2.293 7.095 1.00 0.00 C ATOM 1342 ND1 HIS A 90 5.989 2.357 7.380 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.697 3.547 6.779 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.583 3.603 7.211 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.585 4.380 6.850 1.00 0.00 N ATOM 0 H HIS A 90 9.236 -1.134 6.967 1.00 0.00 H new ATOM 0 HA HIS A 90 7.822 0.400 5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.512 0.247 7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.981 1.180 7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.696 3.858 6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.566 3.940 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.552 5.382 6.662 1.00 0.00 H new ATOM 1353 N ASP A 91 10.880 1.388 5.752 1.00 0.00 N ATOM 1354 CA ASP A 91 11.988 2.235 5.344 1.00 0.00 C ATOM 1355 C ASP A 91 12.314 2.040 3.888 1.00 0.00 C ATOM 1356 O ASP A 91 12.265 2.979 3.106 1.00 0.00 O ATOM 1357 CB ASP A 91 13.210 1.910 6.177 1.00 0.00 C ATOM 1358 CG ASP A 91 14.423 2.765 5.820 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.293 3.996 5.681 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.523 2.213 5.658 1.00 0.00 O ATOM 0 H ASP A 91 11.122 0.732 6.494 1.00 0.00 H new ATOM 0 HA ASP A 91 11.695 3.274 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.972 2.051 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.463 0.858 6.045 1.00 0.00 H new ATOM 1365 N GLN A 92 12.539 0.798 3.512 1.00 0.00 N ATOM 1366 CA GLN A 92 12.945 0.483 2.145 1.00 0.00 C ATOM 1367 C GLN A 92 11.826 0.749 1.170 1.00 0.00 C ATOM 1368 O GLN A 92 12.057 1.127 0.022 1.00 0.00 O ATOM 1369 CB GLN A 92 13.453 -0.950 2.026 1.00 0.00 C ATOM 1370 CG GLN A 92 14.973 -1.063 1.931 1.00 0.00 C ATOM 1371 CD GLN A 92 15.727 -0.492 3.126 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.831 0.029 2.974 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.192 -0.643 4.312 1.00 0.00 N ATOM 0 H GLN A 92 12.450 -0.012 4.126 1.00 0.00 H new ATOM 0 HA GLN A 92 13.774 1.143 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.110 -1.519 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.009 -1.410 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.240 -2.114 1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.307 -0.551 1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.275 -1.079 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.693 -0.325 5.142 1.00 0.00 H new ATOM 1382 N ALA A 93 10.625 0.578 1.651 1.00 0.00 N ATOM 1383 CA ALA A 93 9.440 0.850 0.899 1.00 0.00 C ATOM 1384 C ALA A 93 9.306 2.325 0.645 1.00 0.00 C ATOM 1385 O ALA A 93 9.063 2.745 -0.477 1.00 0.00 O ATOM 1386 CB ALA A 93 8.256 0.373 1.657 1.00 0.00 C ATOM 0 H ALA A 93 10.444 0.239 2.596 1.00 0.00 H new ATOM 0 HA ALA A 93 9.504 0.332 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.351 0.579 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.341 -0.700 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.205 0.889 2.616 1.00 0.00 H new ATOM 1392 N ARG A 94 9.471 3.111 1.699 1.00 0.00 N ATOM 1393 CA ARG A 94 9.394 4.560 1.612 1.00 0.00 C ATOM 1394 C ARG A 94 10.392 5.066 0.594 1.00 0.00 C ATOM 1395 O ARG A 94 10.048 5.800 -0.319 1.00 0.00 O ATOM 1396 CB ARG A 94 9.654 5.207 2.975 1.00 0.00 C ATOM 1397 CG ARG A 94 8.515 5.092 3.960 1.00 0.00 C ATOM 1398 CD ARG A 94 7.341 5.978 3.599 1.00 0.00 C ATOM 1399 NE ARG A 94 7.610 7.394 3.886 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.758 8.411 3.659 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.596 8.192 3.045 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.080 9.637 4.033 1.00 0.00 N ATOM 0 H ARG A 94 9.662 2.761 2.638 1.00 0.00 H new ATOM 0 HA ARG A 94 8.387 4.833 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.542 4.752 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.879 6.263 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.182 4.055 4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.872 5.356 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.110 5.860 2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.460 5.657 4.155 1.00 0.00 H new ATOM 0 HE ARG A 94 8.517 7.625 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.348 7.250 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.955 8.967 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.973 9.812 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.435 10.408 3.861 1.00 0.00 H new ATOM 1416 N LYS A 95 11.572 4.525 0.657 1.00 0.00 N ATOM 1417 CA LYS A 95 12.684 4.921 -0.199 1.00 0.00 C ATOM 1418 C LYS A 95 12.542 4.241 -1.564 1.00 0.00 C ATOM 1419 O LYS A 95 13.521 4.005 -2.260 1.00 0.00 O ATOM 1420 CB LYS A 95 14.020 4.505 0.456 1.00 0.00 C ATOM 1421 CG LYS A 95 14.178 4.946 1.913 1.00 0.00 C ATOM 1422 CD LYS A 95 14.140 6.453 2.088 1.00 0.00 C ATOM 1423 CE LYS A 95 14.035 6.839 3.568 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.126 6.269 4.394 1.00 0.00 N ATOM 0 H LYS A 95 11.808 3.780 1.313 1.00 0.00 H new ATOM 0 HA LYS A 95 12.674 6.003 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.112 3.420 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.841 4.922 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.384 4.497 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.123 4.565 2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.039 6.894 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.291 6.863 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.049 7.925 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.076 6.500 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.407 6.957 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.795 5.396 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.943 6.053 3.788 1.00 0.00 H new ATOM 1438 N ARG A 96 11.312 3.958 -1.949 1.00 0.00 N ATOM 1439 CA ARG A 96 11.036 3.318 -3.193 1.00 0.00 C ATOM 1440 C ARG A 96 9.738 3.877 -3.751 1.00 0.00 C ATOM 1441 O ARG A 96 9.657 4.197 -4.928 1.00 0.00 O ATOM 1442 CB ARG A 96 10.985 1.773 -3.057 1.00 0.00 C ATOM 1443 CG ARG A 96 11.438 1.002 -4.309 1.00 0.00 C ATOM 1444 CD ARG A 96 10.565 1.274 -5.518 1.00 0.00 C ATOM 1445 NE ARG A 96 11.158 0.793 -6.771 1.00 0.00 N ATOM 1446 CZ ARG A 96 10.930 1.345 -7.973 1.00 0.00 C ATOM 1447 NH1 ARG A 96 10.131 2.402 -8.075 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.515 0.856 -9.057 1.00 0.00 N ATOM 0 H ARG A 96 10.482 4.172 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 96 11.849 3.528 -3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.612 1.475 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.965 1.477 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.468 1.272 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.430 -0.067 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.595 0.797 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.384 2.346 -5.596 1.00 0.00 H new ATOM 0 HE ARG A 96 11.783 -0.012 -6.726 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.692 2.792 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.956 2.823 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.143 0.056 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.338 1.280 -9.968 1.00 0.00 H new ATOM 1462 N LEU A 97 8.732 3.985 -2.916 1.00 0.00 N ATOM 1463 CA LEU A 97 7.464 4.539 -3.372 1.00 0.00 C ATOM 1464 C LEU A 97 7.341 6.036 -3.156 1.00 0.00 C ATOM 1465 O LEU A 97 6.758 6.727 -3.947 1.00 0.00 O ATOM 1466 CB LEU A 97 6.279 3.770 -2.790 1.00 0.00 C ATOM 1467 CG LEU A 97 6.318 3.446 -1.300 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.032 4.659 -0.425 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.377 2.338 -0.997 1.00 0.00 C ATOM 0 H LEU A 97 8.756 3.705 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 97 7.446 4.406 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.374 4.346 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.185 2.832 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 97 7.334 3.131 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.073 4.368 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.778 5.430 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.040 5.048 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.411 2.113 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.365 2.634 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.663 1.452 -1.564 1.00 0.00 H new ATOM 1481 N THR A 98 7.886 6.537 -2.097 1.00 0.00 N ATOM 1482 CA THR A 98 7.758 7.953 -1.867 1.00 0.00 C ATOM 1483 C THR A 98 9.074 8.643 -2.228 1.00 0.00 C ATOM 1484 O THR A 98 9.275 9.843 -1.962 1.00 0.00 O ATOM 1485 CB THR A 98 7.241 8.275 -0.414 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.861 9.647 -0.258 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.258 7.931 0.627 1.00 0.00 C ATOM 0 H THR A 98 8.409 6.015 -1.394 1.00 0.00 H new ATOM 0 HA THR A 98 6.986 8.360 -2.521 1.00 0.00 H new ATOM 0 HB THR A 98 6.357 7.652 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.519 10.221 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.862 8.168 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.487 6.867 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.167 8.507 0.452 1.00 0.00 H new ATOM 1495 N LYS A 99 9.993 7.865 -2.854 1.00 0.00 N ATOM 1496 CA LYS A 99 11.188 8.453 -3.388 1.00 0.00 C ATOM 1497 C LYS A 99 10.789 9.452 -4.495 1.00 0.00 C ATOM 1498 O LYS A 99 9.825 9.237 -5.233 1.00 0.00 O ATOM 1499 CB LYS A 99 12.173 7.409 -3.951 1.00 0.00 C ATOM 1500 CG LYS A 99 11.661 6.663 -5.170 1.00 0.00 C ATOM 1501 CD LYS A 99 12.800 6.048 -5.981 1.00 0.00 C ATOM 1502 CE LYS A 99 13.374 4.824 -5.339 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.601 4.379 -6.018 1.00 0.00 N ATOM 0 H LYS A 99 9.909 6.857 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 99 11.707 8.958 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.106 7.909 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.406 6.687 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.975 5.877 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.093 7.346 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.435 5.794 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.589 6.789 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.592 5.031 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.636 4.022 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.970 3.529 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.387 4.158 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.314 5.135 -5.977 1.00 0.00 H new ATOM 1517 N ARG A 100 11.561 10.472 -4.650 1.00 0.00 N ATOM 1518 CA ARG A 100 11.214 11.582 -5.544 1.00 0.00 C ATOM 1519 C ARG A 100 11.862 11.407 -6.903 1.00 0.00 C ATOM 1520 O ARG A 100 11.917 12.321 -7.714 1.00 0.00 O ATOM 1521 CB ARG A 100 11.649 12.901 -4.907 1.00 0.00 C ATOM 1522 CG ARG A 100 13.114 12.916 -4.525 1.00 0.00 C ATOM 1523 CD ARG A 100 13.530 14.230 -3.907 1.00 0.00 C ATOM 1524 NE ARG A 100 14.948 14.229 -3.538 1.00 0.00 N ATOM 1525 CZ ARG A 100 15.592 15.244 -2.954 1.00 0.00 C ATOM 1526 NH1 ARG A 100 14.958 16.390 -2.705 1.00 0.00 N ATOM 1527 NH2 ARG A 100 16.869 15.114 -2.628 1.00 0.00 N ATOM 0 H ARG A 100 12.455 10.583 -4.172 1.00 0.00 H new ATOM 0 HA ARG A 100 10.134 11.592 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.452 13.717 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.045 13.086 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.313 12.107 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.720 12.725 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.337 15.040 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.924 14.425 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 100 15.486 13.387 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.976 16.496 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.455 17.161 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.359 14.241 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.363 15.887 -2.182 1.00 0.00 H new ATOM 1541 N SER A 101 12.319 10.233 -7.138 1.00 0.00 N ATOM 1542 CA SER A 101 13.028 9.890 -8.333 1.00 0.00 C ATOM 1543 C SER A 101 12.095 9.315 -9.409 1.00 0.00 C ATOM 1544 O SER A 101 12.375 9.411 -10.611 1.00 0.00 O ATOM 1545 CB SER A 101 14.053 8.868 -7.936 1.00 0.00 C ATOM 1546 OG SER A 101 14.997 9.420 -7.031 1.00 0.00 O ATOM 0 H SER A 101 12.211 9.453 -6.489 1.00 0.00 H new ATOM 0 HA SER A 101 13.486 10.779 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.559 8.012 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.567 8.499 -8.824 1.00 0.00 H new ATOM 0 HG SER A 101 15.654 8.735 -6.785 1.00 0.00 H new ATOM 1552 N GLU A 102 11.008 8.743 -8.964 1.00 0.00 N ATOM 1553 CA GLU A 102 10.047 8.072 -9.837 1.00 0.00 C ATOM 1554 C GLU A 102 9.150 9.042 -10.595 1.00 0.00 C ATOM 1555 O GLU A 102 9.306 10.267 -10.521 1.00 0.00 O ATOM 1556 CB GLU A 102 9.157 7.138 -9.008 1.00 0.00 C ATOM 1557 CG GLU A 102 9.907 6.043 -8.296 1.00 0.00 C ATOM 1558 CD GLU A 102 10.716 5.220 -9.245 1.00 0.00 C ATOM 1559 OE1 GLU A 102 10.143 4.356 -9.930 1.00 0.00 O ATOM 1560 OE2 GLU A 102 11.931 5.433 -9.340 1.00 0.00 O ATOM 0 H GLU A 102 10.751 8.723 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 102 10.632 7.515 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.615 7.730 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.413 6.686 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.563 6.481 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.201 5.402 -7.769 1.00 0.00 H new ATOM 1567 N GLU A 103 8.256 8.470 -11.367 1.00 0.00 N ATOM 1568 CA GLU A 103 7.188 9.186 -11.998 1.00 0.00 C ATOM 1569 C GLU A 103 5.971 8.284 -12.084 1.00 0.00 C ATOM 1570 O GLU A 103 5.046 8.431 -11.318 1.00 0.00 O ATOM 1571 CB GLU A 103 7.580 9.817 -13.359 1.00 0.00 C ATOM 1572 CG GLU A 103 8.142 8.903 -14.416 1.00 0.00 C ATOM 1573 CD GLU A 103 8.697 9.684 -15.566 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.880 10.054 -15.526 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.947 9.982 -16.515 1.00 0.00 O ATOM 0 H GLU A 103 8.257 7.471 -11.574 1.00 0.00 H new ATOM 0 HA GLU A 103 6.942 10.048 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.696 10.303 -13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.314 10.600 -13.167 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.925 8.281 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.361 8.231 -14.772 1.00 0.00 H new ATOM 1582 N VAL A 104 6.014 7.328 -12.958 1.00 0.00 N ATOM 1583 CA VAL A 104 4.964 6.400 -13.110 1.00 0.00 C ATOM 1584 C VAL A 104 5.456 4.994 -12.843 1.00 0.00 C ATOM 1585 O VAL A 104 6.556 4.606 -13.262 1.00 0.00 O ATOM 1586 CB VAL A 104 4.202 6.567 -14.459 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.105 6.640 -15.642 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.162 5.506 -14.662 1.00 0.00 C ATOM 0 H VAL A 104 6.799 7.177 -13.592 1.00 0.00 H new ATOM 0 HA VAL A 104 4.208 6.613 -12.354 1.00 0.00 H new ATOM 0 HB VAL A 104 3.697 7.530 -14.379 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.510 6.756 -16.548 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.775 7.493 -15.536 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.692 5.724 -15.709 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.660 5.667 -15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.638 4.525 -14.663 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.431 5.553 -13.855 1.00 0.00 H new ATOM 1598 N VAL A 105 4.679 4.280 -12.078 1.00 0.00 N ATOM 1599 CA VAL A 105 5.023 2.970 -11.586 1.00 0.00 C ATOM 1600 C VAL A 105 3.800 2.056 -11.628 1.00 0.00 C ATOM 1601 O VAL A 105 2.659 2.538 -11.507 1.00 0.00 O ATOM 1602 CB VAL A 105 5.501 3.078 -10.100 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.841 3.789 -9.993 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.472 3.842 -9.279 1.00 0.00 C ATOM 0 H VAL A 105 3.761 4.600 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 105 5.815 2.560 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 105 5.614 2.064 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.141 3.845 -8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.592 3.236 -10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.752 4.796 -10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.811 3.913 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.349 4.844 -9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.517 3.317 -9.312 1.00 0.00 H new ATOM 1614 N ARG A 106 4.011 0.761 -11.813 1.00 0.00 N ATOM 1615 CA ARG A 106 2.906 -0.172 -11.742 1.00 0.00 C ATOM 1616 C ARG A 106 3.003 -0.884 -10.441 1.00 0.00 C ATOM 1617 O ARG A 106 4.053 -1.428 -10.114 1.00 0.00 O ATOM 1618 CB ARG A 106 2.962 -1.213 -12.827 1.00 0.00 C ATOM 1619 CG ARG A 106 1.746 -2.129 -12.849 1.00 0.00 C ATOM 1620 CD ARG A 106 1.983 -3.318 -13.737 1.00 0.00 C ATOM 1621 NE ARG A 106 3.032 -4.177 -13.186 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.554 -5.234 -13.795 1.00 0.00 C ATOM 1623 NH1 ARG A 106 3.258 -5.494 -15.065 1.00 0.00 N ATOM 1624 NH2 ARG A 106 4.414 -5.999 -13.144 1.00 0.00 N ATOM 0 H ARG A 106 4.920 0.342 -12.009 1.00 0.00 H new ATOM 0 HA ARG A 106 1.980 0.391 -11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.051 -0.716 -13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.860 -1.817 -12.695 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.522 -2.466 -11.837 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.876 -1.575 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.060 -3.887 -13.844 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.268 -2.982 -14.734 1.00 0.00 H new ATOM 0 HE ARG A 106 3.390 -3.945 -12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.626 -4.879 -15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.663 -6.308 -15.527 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.670 -5.774 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.821 -6.814 -13.603 1.00 0.00 H new ATOM 1638 N LEU A 107 1.966 -0.891 -9.695 1.00 0.00 N ATOM 1639 CA LEU A 107 2.001 -1.546 -8.437 1.00 0.00 C ATOM 1640 C LEU A 107 0.913 -2.569 -8.450 1.00 0.00 C ATOM 1641 O LEU A 107 -0.092 -2.388 -9.117 1.00 0.00 O ATOM 1642 CB LEU A 107 1.740 -0.545 -7.312 1.00 0.00 C ATOM 1643 CG LEU A 107 2.229 0.891 -7.544 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.683 1.798 -6.484 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.725 0.969 -7.559 1.00 0.00 C ATOM 0 H LEU A 107 1.077 -0.450 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 107 2.977 -2.002 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.666 -0.514 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.210 -0.923 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 107 1.866 1.211 -8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.036 2.815 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.594 1.782 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.022 1.459 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.034 2.001 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.117 0.623 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.114 0.340 -8.360 1.00 0.00 H new ATOM 1657 N LEU A 108 1.116 -3.638 -7.792 1.00 0.00 N ATOM 1658 CA LEU A 108 0.107 -4.616 -7.660 1.00 0.00 C ATOM 1659 C LEU A 108 -0.304 -4.687 -6.269 1.00 0.00 C ATOM 1660 O LEU A 108 0.527 -4.901 -5.368 1.00 0.00 O ATOM 1661 CB LEU A 108 0.503 -5.985 -8.148 1.00 0.00 C ATOM 1662 CG LEU A 108 0.153 -6.318 -9.583 1.00 0.00 C ATOM 1663 CD1 LEU A 108 1.033 -5.559 -10.565 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.214 -7.812 -9.825 1.00 0.00 C ATOM 0 H LEU A 108 1.993 -3.866 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.717 -4.302 -8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.581 -6.092 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.034 -6.727 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.874 -5.995 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.753 -5.824 -11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.901 -4.487 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.077 -5.822 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.042 -8.023 -10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.222 -8.173 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.494 -8.316 -9.167 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.548 -4.511 -6.076 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.099 -4.492 -4.770 1.00 0.00 C ATOM 1678 C VAL A 109 -3.188 -5.488 -4.651 1.00 0.00 C ATOM 1679 O VAL A 109 -3.825 -5.847 -5.649 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.648 -3.123 -4.366 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.575 -2.084 -4.334 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.820 -2.670 -5.219 1.00 0.00 C ATOM 0 H VAL A 109 -2.228 -4.374 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.276 -4.736 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.032 -3.247 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.005 -1.126 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.810 -2.373 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.126 -1.994 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.161 -1.692 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.507 -2.603 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.634 -3.389 -5.130 1.00 0.00 H new ATOM 1692 N THR A 110 -3.398 -5.945 -3.478 1.00 0.00 N ATOM 1693 CA THR A 110 -4.460 -6.840 -3.225 1.00 0.00 C ATOM 1694 C THR A 110 -5.566 -6.129 -2.483 1.00 0.00 C ATOM 1695 O THR A 110 -5.426 -4.978 -2.092 1.00 0.00 O ATOM 1696 CB THR A 110 -3.971 -8.089 -2.449 1.00 0.00 C ATOM 1697 OG1 THR A 110 -3.255 -7.712 -1.246 1.00 0.00 O ATOM 1698 CG2 THR A 110 -3.065 -8.942 -3.320 1.00 0.00 C ATOM 0 H THR A 110 -2.836 -5.709 -2.660 1.00 0.00 H new ATOM 0 HA THR A 110 -4.853 -7.191 -4.179 1.00 0.00 H new ATOM 0 HB THR A 110 -4.854 -8.664 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.499 -6.797 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.733 -9.814 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.613 -9.269 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.198 -8.356 -3.626 1.00 0.00 H new