USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0.0224 USER MOD Set 1.3: A 51 HIS :FLIP no HD1:sc= -2.7 F(o=-4.9!,f=-2.7) USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= -15.2! C(o=-30!,f=-24!) USER MOD Set 2.2: A 69 GLN : amide:sc= -9.26! C(o=-24!,f=-27!) USER MOD Single : A 11 GLN : amide:sc= -6.67! C(o=-6.7!,f=-8.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.36) USER MOD Single : A 42 SER OG : rot 45:sc= 0.608 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -52:sc= -0.44! USER MOD Single : A 58 ASN : amide:sc= -5.8! C(o=-5.8!,f=-7.4!) USER MOD Single : A 60 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.139 (180deg=-0.969) USER MOD Single : A 68 SER OG : rot -59:sc= 0.727 USER MOD Single : A 73 TYR OH : rot -106:sc= -0.42 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.944 -5.821 5.386 1.00 0.00 N ATOM 145 CA ASP A 10 5.853 -5.169 4.683 1.00 0.00 C ATOM 146 C ASP A 10 5.600 -3.794 5.307 1.00 0.00 C ATOM 147 O ASP A 10 6.316 -3.381 6.218 1.00 0.00 O ATOM 148 CB ASP A 10 4.563 -5.983 4.794 1.00 0.00 C ATOM 149 CG ASP A 10 4.346 -7.008 3.678 1.00 0.00 C ATOM 150 OD1 ASP A 10 5.342 -7.312 2.987 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.190 -7.463 3.542 1.00 0.00 O ATOM 0 HA ASP A 10 6.133 -5.079 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.562 -6.505 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.717 -5.295 4.805 1.00 0.00 H new ATOM 156 N GLN A 11 4.579 -3.126 4.791 1.00 0.00 N ATOM 157 CA GLN A 11 4.223 -1.807 5.286 1.00 0.00 C ATOM 158 C GLN A 11 2.881 -1.364 4.698 1.00 0.00 C ATOM 159 O GLN A 11 2.694 -1.390 3.482 1.00 0.00 O ATOM 160 CB GLN A 11 5.321 -0.788 4.973 1.00 0.00 C ATOM 161 CG GLN A 11 5.171 0.464 5.840 1.00 0.00 C ATOM 162 CD GLN A 11 4.846 1.688 4.981 1.00 0.00 C ATOM 163 OE1 GLN A 11 3.953 2.466 5.275 1.00 0.00 O ATOM 164 NE2 GLN A 11 5.617 1.814 3.905 1.00 0.00 N ATOM 0 H GLN A 11 3.987 -3.473 4.036 1.00 0.00 H new ATOM 0 HA GLN A 11 4.123 -1.862 6.370 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.299 -1.238 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.277 -0.512 3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.380 0.310 6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.092 0.639 6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.347 1.127 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.478 2.598 3.267 1.00 0.00 H new ATOM 173 N VAL A 12 1.984 -0.967 5.587 1.00 0.00 N ATOM 174 CA VAL A 12 0.665 -0.518 5.172 1.00 0.00 C ATOM 175 C VAL A 12 0.724 0.971 4.828 1.00 0.00 C ATOM 176 O VAL A 12 1.700 1.648 5.144 1.00 0.00 O ATOM 177 CB VAL A 12 -0.363 -0.842 6.257 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.737 -1.124 5.643 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.103 -2.015 7.122 1.00 0.00 C ATOM 0 H VAL A 12 2.144 -0.947 6.594 1.00 0.00 H new ATOM 0 HA VAL A 12 0.346 -1.046 4.274 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.457 0.032 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.450 -1.352 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.076 -0.247 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.665 -1.974 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.646 -2.224 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.240 -2.897 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.048 -1.760 7.602 1.00 0.00 H new ATOM 189 N LEU A 13 -0.337 1.438 4.184 1.00 0.00 N ATOM 190 CA LEU A 13 -0.419 2.836 3.795 1.00 0.00 C ATOM 191 C LEU A 13 -1.889 3.234 3.646 1.00 0.00 C ATOM 192 O LEU A 13 -2.711 2.431 3.209 1.00 0.00 O ATOM 193 CB LEU A 13 0.417 3.092 2.539 1.00 0.00 C ATOM 194 CG LEU A 13 -0.249 2.739 1.206 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.507 3.997 0.374 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.573 1.702 0.440 1.00 0.00 C ATOM 0 H LEU A 13 -1.145 0.874 3.922 1.00 0.00 H new ATOM 0 HA LEU A 13 0.008 3.473 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.691 4.147 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.344 2.524 2.621 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.219 2.287 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.980 3.720 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.163 4.670 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.439 4.499 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.078 1.469 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.567 2.102 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.661 0.794 1.037 1.00 0.00 H new ATOM 208 N GLU A 14 -2.174 4.472 4.020 1.00 0.00 N ATOM 209 CA GLU A 14 -3.531 4.986 3.934 1.00 0.00 C ATOM 210 C GLU A 14 -3.702 5.820 2.663 1.00 0.00 C ATOM 211 O GLU A 14 -2.946 6.761 2.427 1.00 0.00 O ATOM 212 CB GLU A 14 -3.887 5.803 5.178 1.00 0.00 C ATOM 213 CG GLU A 14 -2.719 6.695 5.602 1.00 0.00 C ATOM 214 CD GLU A 14 -3.222 7.977 6.270 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.333 8.412 5.897 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.485 8.492 7.137 1.00 0.00 O ATOM 0 H GLU A 14 -1.489 5.135 4.383 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.217 4.141 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.764 6.418 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.151 5.131 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.073 6.151 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.115 6.948 4.731 1.00 0.00 H new ATOM 223 N ILE A 15 -4.703 5.446 1.878 1.00 0.00 N ATOM 224 CA ILE A 15 -4.984 6.148 0.638 1.00 0.00 C ATOM 225 C ILE A 15 -6.372 6.784 0.720 1.00 0.00 C ATOM 226 O ILE A 15 -7.276 6.231 1.345 1.00 0.00 O ATOM 227 CB ILE A 15 -4.805 5.213 -0.560 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.401 4.605 -0.577 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.135 5.930 -1.871 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.463 3.078 -0.499 1.00 0.00 C ATOM 0 H ILE A 15 -5.329 4.666 2.078 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.270 6.958 0.489 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.511 4.389 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.882 4.905 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.823 4.992 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.999 5.242 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.169 6.273 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.472 6.786 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.452 2.672 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.961 2.781 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.021 2.692 -1.353 1.00 0.00 H new ATOM 242 N VAL A 16 -6.500 7.937 0.079 1.00 0.00 N ATOM 243 CA VAL A 16 -7.763 8.654 0.073 1.00 0.00 C ATOM 244 C VAL A 16 -8.065 9.133 -1.349 1.00 0.00 C ATOM 245 O VAL A 16 -7.684 10.239 -1.729 1.00 0.00 O ATOM 246 CB VAL A 16 -7.724 9.794 1.092 1.00 0.00 C ATOM 247 CG1 VAL A 16 -9.082 10.493 1.186 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.272 9.288 2.463 1.00 0.00 C ATOM 0 H VAL A 16 -5.749 8.392 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.577 7.995 0.375 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.994 10.526 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.026 11.299 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.348 10.904 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.841 9.774 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.253 10.118 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.967 8.527 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.274 8.858 2.381 1.00 0.00 H new ATOM 258 N PRO A 17 -8.764 8.254 -2.116 1.00 0.00 N ATOM 259 CA PRO A 17 -9.120 8.576 -3.487 1.00 0.00 C ATOM 260 C PRO A 17 -10.272 9.583 -3.532 1.00 0.00 C ATOM 261 O PRO A 17 -10.715 10.072 -2.493 1.00 0.00 O ATOM 262 CB PRO A 17 -9.474 7.243 -4.125 1.00 0.00 C ATOM 263 CG PRO A 17 -9.751 6.290 -2.974 1.00 0.00 C ATOM 264 CD PRO A 17 -9.231 6.935 -1.700 1.00 0.00 C ATOM 0 HA PRO A 17 -8.308 9.060 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.347 7.339 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.656 6.878 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.819 6.090 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.260 5.332 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.015 7.012 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.423 6.349 -1.261 1.00 0.00 H new ATOM 272 N SER A 18 -10.723 9.865 -4.745 1.00 0.00 N ATOM 273 CA SER A 18 -11.813 10.805 -4.940 1.00 0.00 C ATOM 274 C SER A 18 -12.322 10.726 -6.380 1.00 0.00 C ATOM 275 O SER A 18 -13.528 10.771 -6.619 1.00 0.00 O ATOM 276 CB SER A 18 -11.374 12.233 -4.609 1.00 0.00 C ATOM 277 OG SER A 18 -12.481 13.127 -4.530 1.00 0.00 O ATOM 0 H SER A 18 -10.353 9.458 -5.604 1.00 0.00 H new ATOM 0 HA SER A 18 -12.622 10.536 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.837 12.236 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.678 12.584 -5.371 1.00 0.00 H new ATOM 0 HG SER A 18 -12.160 14.028 -4.316 1.00 0.00 H new ATOM 283 N ASN A 19 -11.379 10.609 -7.302 1.00 0.00 N ATOM 284 CA ASN A 19 -11.717 10.523 -8.713 1.00 0.00 C ATOM 285 C ASN A 19 -11.733 9.055 -9.140 1.00 0.00 C ATOM 286 O ASN A 19 -11.133 8.206 -8.482 1.00 0.00 O ATOM 287 CB ASN A 19 -10.684 11.255 -9.572 1.00 0.00 C ATOM 288 CG ASN A 19 -11.077 12.720 -9.771 1.00 0.00 C ATOM 289 OD1 ASN A 19 -10.669 13.605 -9.036 1.00 0.00 O ATOM 290 ND2 ASN A 19 -11.888 12.927 -10.805 1.00 0.00 N ATOM 0 H ASN A 19 -10.380 10.572 -7.100 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.695 10.983 -8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.705 11.199 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.597 10.763 -10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.206 13.871 -11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.192 12.141 -11.380 1.00 0.00 H new ATOM 297 N GLU A 20 -12.426 8.799 -10.240 1.00 0.00 N ATOM 298 CA GLU A 20 -12.527 7.447 -10.764 1.00 0.00 C ATOM 299 C GLU A 20 -11.185 7.002 -11.347 1.00 0.00 C ATOM 300 O GLU A 20 -10.874 5.811 -11.361 1.00 0.00 O ATOM 301 CB GLU A 20 -13.639 7.347 -11.810 1.00 0.00 C ATOM 302 CG GLU A 20 -14.975 6.983 -11.157 1.00 0.00 C ATOM 303 CD GLU A 20 -15.986 8.121 -11.305 1.00 0.00 C ATOM 304 OE1 GLU A 20 -15.898 9.068 -10.494 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.823 8.020 -12.228 1.00 0.00 O ATOM 0 H GLU A 20 -12.923 9.505 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.784 6.778 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.734 8.297 -12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.377 6.595 -12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.372 6.077 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.820 6.765 -10.100 1.00 0.00 H new ATOM 312 N GLU A 21 -10.424 7.981 -11.814 1.00 0.00 N ATOM 313 CA GLU A 21 -9.121 7.704 -12.397 1.00 0.00 C ATOM 314 C GLU A 21 -8.181 7.120 -11.340 1.00 0.00 C ATOM 315 O GLU A 21 -7.608 6.049 -11.538 1.00 0.00 O ATOM 316 CB GLU A 21 -8.524 8.964 -13.026 1.00 0.00 C ATOM 317 CG GLU A 21 -7.009 8.829 -13.191 1.00 0.00 C ATOM 318 CD GLU A 21 -6.661 7.660 -14.115 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.221 6.567 -13.883 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.842 7.886 -15.033 1.00 0.00 O ATOM 0 H GLU A 21 -10.684 8.967 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.247 6.967 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.985 9.143 -13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.750 9.829 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.600 9.754 -13.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.545 8.677 -12.216 1.00 0.00 H new ATOM 327 N GLN A 22 -8.051 7.848 -10.242 1.00 0.00 N ATOM 328 CA GLN A 22 -7.190 7.415 -9.155 1.00 0.00 C ATOM 329 C GLN A 22 -7.708 6.107 -8.554 1.00 0.00 C ATOM 330 O GLN A 22 -6.941 5.334 -7.985 1.00 0.00 O ATOM 331 CB GLN A 22 -7.073 8.501 -8.083 1.00 0.00 C ATOM 332 CG GLN A 22 -6.614 9.827 -8.694 1.00 0.00 C ATOM 333 CD GLN A 22 -7.197 11.015 -7.924 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.685 10.889 -6.814 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.116 12.172 -8.575 1.00 0.00 N ATOM 0 H GLN A 22 -8.528 8.735 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.193 7.237 -9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.036 8.637 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.365 8.185 -7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.525 9.880 -8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.924 9.878 -9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.694 12.207 -9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.475 13.025 -8.146 1.00 0.00 H new ATOM 344 N ILE A 23 -9.009 5.900 -8.704 1.00 0.00 N ATOM 345 CA ILE A 23 -9.640 4.698 -8.185 1.00 0.00 C ATOM 346 C ILE A 23 -9.350 3.528 -9.126 1.00 0.00 C ATOM 347 O ILE A 23 -9.117 2.407 -8.676 1.00 0.00 O ATOM 348 CB ILE A 23 -11.131 4.939 -7.942 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.362 5.647 -6.605 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.920 3.631 -8.041 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.856 5.811 -6.323 1.00 0.00 C ATOM 0 H ILE A 23 -9.643 6.544 -9.177 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.221 4.436 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.502 5.601 -8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.897 5.075 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.881 6.625 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.977 3.829 -7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.792 3.203 -9.035 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.553 2.927 -7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.992 6.317 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.313 6.403 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.329 4.830 -6.285 1.00 0.00 H new ATOM 363 N LYS A 24 -9.376 3.827 -10.416 1.00 0.00 N ATOM 364 CA LYS A 24 -9.119 2.814 -11.425 1.00 0.00 C ATOM 365 C LYS A 24 -7.644 2.412 -11.375 1.00 0.00 C ATOM 366 O LYS A 24 -7.274 1.334 -11.838 1.00 0.00 O ATOM 367 CB LYS A 24 -9.578 3.300 -12.802 1.00 0.00 C ATOM 368 CG LYS A 24 -8.795 2.604 -13.917 1.00 0.00 C ATOM 369 CD LYS A 24 -9.191 3.152 -15.290 1.00 0.00 C ATOM 370 CE LYS A 24 -7.969 3.288 -16.200 1.00 0.00 C ATOM 371 NZ LYS A 24 -7.545 1.961 -16.698 1.00 0.00 N ATOM 0 H LYS A 24 -9.571 4.757 -10.786 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.701 1.916 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.643 3.105 -12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.441 4.379 -12.875 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.726 2.747 -13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.982 1.531 -13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.922 2.489 -15.753 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.671 4.123 -15.173 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.205 3.940 -17.041 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.151 3.756 -15.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.714 2.071 -17.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.300 1.350 -15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.322 1.528 -17.238 1.00 0.00 H new ATOM 385 N ASN A 25 -6.841 3.301 -10.808 1.00 0.00 N ATOM 386 CA ASN A 25 -5.414 3.051 -10.691 1.00 0.00 C ATOM 387 C ASN A 25 -5.184 1.834 -9.793 1.00 0.00 C ATOM 388 O ASN A 25 -4.621 0.833 -10.231 1.00 0.00 O ATOM 389 CB ASN A 25 -4.697 4.247 -10.059 1.00 0.00 C ATOM 390 CG ASN A 25 -3.291 3.859 -9.595 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.270 3.157 -8.466 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -2.293 4.177 -10.220 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.151 4.194 -10.425 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.019 2.879 -11.692 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.634 5.061 -10.781 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.275 4.616 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.381 4.717 -11.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.371 3.903 -9.882 1.00 0.00 H new ATOM 399 N LEU A 26 -5.634 1.961 -8.553 1.00 0.00 N ATOM 400 CA LEU A 26 -5.485 0.883 -7.590 1.00 0.00 C ATOM 401 C LEU A 26 -5.973 -0.425 -8.215 1.00 0.00 C ATOM 402 O LEU A 26 -5.206 -1.377 -8.348 1.00 0.00 O ATOM 403 CB LEU A 26 -6.187 1.238 -6.277 1.00 0.00 C ATOM 404 CG LEU A 26 -5.566 0.656 -5.006 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.588 1.647 -4.372 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.648 0.209 -4.021 1.00 0.00 C ATOM 0 H LEU A 26 -6.101 2.793 -8.193 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.435 0.741 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.210 2.324 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.222 0.902 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.995 -0.231 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.160 1.209 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.790 1.874 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.116 2.565 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.179 -0.201 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.266 1.064 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.271 -0.555 -4.487 1.00 0.00 H new ATOM 418 N LEU A 27 -7.246 -0.431 -8.581 1.00 0.00 N ATOM 419 CA LEU A 27 -7.845 -1.607 -9.188 1.00 0.00 C ATOM 420 C LEU A 27 -6.872 -2.199 -10.209 1.00 0.00 C ATOM 421 O LEU A 27 -6.581 -3.394 -10.174 1.00 0.00 O ATOM 422 CB LEU A 27 -9.218 -1.267 -9.772 1.00 0.00 C ATOM 423 CG LEU A 27 -10.409 -1.441 -8.829 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.179 -0.127 -8.670 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.316 -2.583 -9.295 1.00 0.00 C ATOM 0 H LEU A 27 -7.880 0.360 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.025 -2.375 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.199 -0.232 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.382 -1.891 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.028 -1.713 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.021 -0.278 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.517 0.635 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.548 0.198 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.155 -2.685 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.691 -2.365 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.748 -3.513 -9.316 1.00 0.00 H new ATOM 437 N GLN A 28 -6.394 -1.337 -11.095 1.00 0.00 N ATOM 438 CA GLN A 28 -5.460 -1.761 -12.123 1.00 0.00 C ATOM 439 C GLN A 28 -4.238 -2.427 -11.488 1.00 0.00 C ATOM 440 O GLN A 28 -3.717 -3.409 -12.017 1.00 0.00 O ATOM 441 CB GLN A 28 -5.045 -0.582 -13.006 1.00 0.00 C ATOM 442 CG GLN A 28 -4.759 -1.041 -14.437 1.00 0.00 C ATOM 443 CD GLN A 28 -3.315 -0.731 -14.834 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.977 0.371 -15.234 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.484 -1.761 -14.704 1.00 0.00 N ATOM 0 H GLN A 28 -6.637 -0.347 -11.122 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.958 -2.492 -12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.836 0.168 -13.012 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.158 -0.106 -12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.941 -2.112 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.444 -0.545 -15.125 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.832 -2.657 -14.363 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.499 -1.655 -14.945 1.00 0.00 H new ATOM 454 N LEU A 29 -3.816 -1.869 -10.363 1.00 0.00 N ATOM 455 CA LEU A 29 -2.666 -2.397 -9.651 1.00 0.00 C ATOM 456 C LEU A 29 -3.005 -3.784 -9.100 1.00 0.00 C ATOM 457 O LEU A 29 -2.393 -4.777 -9.489 1.00 0.00 O ATOM 458 CB LEU A 29 -2.198 -1.408 -8.582 1.00 0.00 C ATOM 459 CG LEU A 29 -1.280 -1.978 -7.497 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.151 -2.132 -8.016 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.341 -1.128 -6.226 1.00 0.00 C ATOM 0 H LEU A 29 -4.251 -1.056 -9.927 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.822 -2.521 -10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.677 -0.588 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.078 -0.982 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.637 -2.974 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.783 -2.539 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.157 -2.809 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.534 -1.158 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.680 -1.554 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.024 -0.110 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.363 -1.113 -5.847 1.00 0.00 H new ATOM 473 N GLU A 30 -3.980 -3.806 -8.203 1.00 0.00 N ATOM 474 CA GLU A 30 -4.407 -5.055 -7.594 1.00 0.00 C ATOM 475 C GLU A 30 -4.607 -6.127 -8.667 1.00 0.00 C ATOM 476 O GLU A 30 -4.243 -7.285 -8.468 1.00 0.00 O ATOM 477 CB GLU A 30 -5.683 -4.856 -6.774 1.00 0.00 C ATOM 478 CG GLU A 30 -5.740 -5.837 -5.602 1.00 0.00 C ATOM 479 CD GLU A 30 -6.971 -6.741 -5.702 1.00 0.00 C ATOM 480 OE1 GLU A 30 -8.047 -6.198 -6.031 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.807 -7.954 -5.448 1.00 0.00 O ATOM 0 H GLU A 30 -4.486 -2.980 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.625 -5.391 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.723 -3.833 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.555 -4.996 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.837 -6.447 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.765 -5.285 -4.662 1.00 0.00 H new ATOM 488 N ALA A 31 -5.185 -5.703 -9.781 1.00 0.00 N ATOM 489 CA ALA A 31 -5.438 -6.612 -10.886 1.00 0.00 C ATOM 490 C ALA A 31 -4.165 -7.406 -11.190 1.00 0.00 C ATOM 491 O ALA A 31 -4.208 -8.628 -11.326 1.00 0.00 O ATOM 492 CB ALA A 31 -5.932 -5.820 -12.098 1.00 0.00 C ATOM 0 H ALA A 31 -5.485 -4.742 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.218 -7.326 -10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.121 -6.503 -12.926 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.853 -5.298 -11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.174 -5.094 -12.392 1.00 0.00 H new ATOM 498 N GLN A 32 -3.061 -6.679 -11.286 1.00 0.00 N ATOM 499 CA GLN A 32 -1.778 -7.300 -11.570 1.00 0.00 C ATOM 500 C GLN A 32 -1.479 -8.394 -10.543 1.00 0.00 C ATOM 501 O GLN A 32 -1.037 -8.105 -9.432 1.00 0.00 O ATOM 502 CB GLN A 32 -0.660 -6.257 -11.601 1.00 0.00 C ATOM 503 CG GLN A 32 -0.621 -5.533 -12.948 1.00 0.00 C ATOM 504 CD GLN A 32 -0.172 -6.478 -14.065 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.911 -7.037 -14.041 1.00 0.00 O ATOM 506 NE2 GLN A 32 -1.063 -6.623 -15.041 1.00 0.00 N ATOM 0 H GLN A 32 -3.029 -5.666 -11.172 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.829 -7.760 -12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.811 -5.534 -10.800 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.299 -6.741 -11.417 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.609 -5.134 -13.179 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.060 -4.684 -12.889 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.952 -6.125 -14.998 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.858 -7.233 -15.833 1.00 0.00 H new ATOM 584 N LEU A 37 -2.074 -7.390 -4.205 1.00 0.00 N ATOM 585 CA LEU A 37 -2.193 -6.718 -2.922 1.00 0.00 C ATOM 586 C LEU A 37 -3.627 -6.862 -2.407 1.00 0.00 C ATOM 587 O LEU A 37 -4.568 -6.944 -3.195 1.00 0.00 O ATOM 588 CB LEU A 37 -1.722 -5.266 -3.030 1.00 0.00 C ATOM 589 CG LEU A 37 -0.615 -4.995 -4.051 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.125 -4.115 -5.193 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.620 -4.396 -3.373 1.00 0.00 C ATOM 0 HA LEU A 37 -1.540 -7.186 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.581 -4.644 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.371 -4.945 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.313 -5.947 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.318 -3.938 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.950 -4.617 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.470 -3.162 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.392 -4.213 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.351 -3.456 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.998 -5.092 -2.624 1.00 0.00 H new ATOM 603 N ASP A 38 -3.748 -6.890 -1.088 1.00 0.00 N ATOM 604 CA ASP A 38 -5.051 -7.023 -0.460 1.00 0.00 C ATOM 605 C ASP A 38 -5.463 -5.678 0.141 1.00 0.00 C ATOM 606 O ASP A 38 -4.747 -5.118 0.969 1.00 0.00 O ATOM 607 CB ASP A 38 -5.014 -8.054 0.671 1.00 0.00 C ATOM 608 CG ASP A 38 -5.339 -9.489 0.249 1.00 0.00 C ATOM 609 OD1 ASP A 38 -4.457 -10.106 -0.387 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.460 -9.936 0.571 1.00 0.00 O ATOM 0 H ASP A 38 -2.965 -6.823 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.761 -7.347 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.022 -8.040 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.720 -7.750 1.443 1.00 0.00 H new ATOM 615 N PHE A 39 -6.616 -5.197 -0.300 1.00 0.00 N ATOM 616 CA PHE A 39 -7.131 -3.928 0.183 1.00 0.00 C ATOM 617 C PHE A 39 -8.032 -4.131 1.403 1.00 0.00 C ATOM 618 O PHE A 39 -8.977 -4.915 1.358 1.00 0.00 O ATOM 619 CB PHE A 39 -7.960 -3.321 -0.951 1.00 0.00 C ATOM 620 CG PHE A 39 -7.153 -3.008 -2.213 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.887 -2.522 -2.108 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.702 -3.217 -3.440 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.138 -2.233 -3.279 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.953 -2.927 -4.610 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.687 -2.441 -4.505 1.00 0.00 C ATOM 0 H PHE A 39 -7.208 -5.664 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.306 -3.279 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.765 -4.010 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.428 -2.403 -0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.451 -2.356 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.707 -3.603 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.132 -1.848 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.389 -3.092 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.118 -2.220 -5.396 1.00 0.00 H new ATOM 635 N TRP A 40 -7.706 -3.409 2.466 1.00 0.00 N ATOM 636 CA TRP A 40 -8.472 -3.499 3.697 1.00 0.00 C ATOM 637 C TRP A 40 -9.848 -2.879 3.443 1.00 0.00 C ATOM 638 O TRP A 40 -10.870 -3.550 3.579 1.00 0.00 O ATOM 639 CB TRP A 40 -7.724 -2.841 4.858 1.00 0.00 C ATOM 640 CG TRP A 40 -6.585 -3.690 5.425 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.141 -4.876 4.985 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.756 -3.368 6.562 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.092 -5.339 5.752 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.850 -4.393 6.741 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.772 -2.247 7.411 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.892 -4.400 7.763 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.808 -2.269 8.427 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.889 -3.294 8.620 1.00 0.00 C ATOM 0 H TRP A 40 -6.921 -2.759 2.499 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.608 -4.539 3.992 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.319 -1.887 4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.433 -2.623 5.657 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.553 -5.403 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.587 -6.215 5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.472 -1.434 7.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.194 -5.215 7.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.777 -1.431 9.108 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.175 -3.237 9.429 1.00 0.00 H new ATOM 659 N LYS A 41 -9.829 -1.605 3.080 1.00 0.00 N ATOM 660 CA LYS A 41 -11.062 -0.887 2.807 1.00 0.00 C ATOM 661 C LYS A 41 -11.299 -0.845 1.296 1.00 0.00 C ATOM 662 O LYS A 41 -10.583 -0.156 0.570 1.00 0.00 O ATOM 663 CB LYS A 41 -11.035 0.494 3.464 1.00 0.00 C ATOM 664 CG LYS A 41 -11.610 0.440 4.880 1.00 0.00 C ATOM 665 CD LYS A 41 -11.685 1.839 5.496 1.00 0.00 C ATOM 666 CE LYS A 41 -13.113 2.386 5.440 1.00 0.00 C ATOM 667 NZ LYS A 41 -13.114 3.781 4.945 1.00 0.00 N ATOM 0 H LYS A 41 -8.979 -1.052 2.969 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.912 -1.408 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.010 0.864 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.609 1.198 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.605 -0.004 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.989 -0.203 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.346 1.803 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.013 2.512 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.723 1.762 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.564 2.345 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.091 4.137 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.549 4.376 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.703 3.811 3.990 1.00 0.00 H new ATOM 681 N SER A 42 -12.307 -1.592 0.866 1.00 0.00 N ATOM 682 CA SER A 42 -12.646 -1.648 -0.546 1.00 0.00 C ATOM 683 C SER A 42 -12.591 -0.246 -1.154 1.00 0.00 C ATOM 684 O SER A 42 -13.511 0.550 -0.971 1.00 0.00 O ATOM 685 CB SER A 42 -14.031 -2.265 -0.755 1.00 0.00 C ATOM 686 OG SER A 42 -15.044 -1.547 -0.057 1.00 0.00 O ATOM 0 H SER A 42 -12.899 -2.162 1.470 1.00 0.00 H new ATOM 0 HA SER A 42 -11.916 -2.282 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.265 -2.280 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.022 -3.301 -0.416 1.00 0.00 H new ATOM 0 HG SER A 42 -14.916 -0.585 -0.193 1.00 0.00 H new ATOM 692 N PRO A 43 -11.475 0.021 -1.884 1.00 0.00 N ATOM 693 CA PRO A 43 -11.290 1.314 -2.520 1.00 0.00 C ATOM 694 C PRO A 43 -12.175 1.447 -3.761 1.00 0.00 C ATOM 695 O PRO A 43 -12.118 2.456 -4.463 1.00 0.00 O ATOM 696 CB PRO A 43 -9.805 1.386 -2.839 1.00 0.00 C ATOM 697 CG PRO A 43 -9.299 -0.047 -2.795 1.00 0.00 C ATOM 698 CD PRO A 43 -10.365 -0.896 -2.122 1.00 0.00 C ATOM 0 HA PRO A 43 -11.588 2.144 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.637 1.829 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.280 2.008 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.099 -0.413 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.361 -0.104 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.668 -1.728 -2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.999 -1.325 -1.189 1.00 0.00 H new ATOM 706 N THR A 44 -12.972 0.416 -3.993 1.00 0.00 N ATOM 707 CA THR A 44 -13.869 0.405 -5.137 1.00 0.00 C ATOM 708 C THR A 44 -14.413 1.810 -5.402 1.00 0.00 C ATOM 709 O THR A 44 -14.299 2.324 -6.513 1.00 0.00 O ATOM 710 CB THR A 44 -14.963 -0.631 -4.869 1.00 0.00 C ATOM 711 OG1 THR A 44 -14.439 -1.838 -5.413 1.00 0.00 O ATOM 712 CG2 THR A 44 -16.227 -0.370 -5.691 1.00 0.00 C ATOM 0 H THR A 44 -13.016 -0.419 -3.409 1.00 0.00 H new ATOM 0 HA THR A 44 -13.345 0.117 -6.048 1.00 0.00 H new ATOM 0 HB THR A 44 -15.212 -0.631 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.084 -2.564 -5.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.972 -1.132 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.626 0.613 -5.442 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.984 -0.404 -6.753 1.00 0.00 H new ATOM 720 N THR A 45 -14.991 2.391 -4.361 1.00 0.00 N ATOM 721 CA THR A 45 -15.553 3.727 -4.468 1.00 0.00 C ATOM 722 C THR A 45 -14.739 4.716 -3.630 1.00 0.00 C ATOM 723 O THR A 45 -14.063 4.322 -2.682 1.00 0.00 O ATOM 724 CB THR A 45 -17.026 3.654 -4.061 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.988 3.454 -2.651 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.720 2.400 -4.597 1.00 0.00 C ATOM 0 H THR A 45 -15.082 1.962 -3.440 1.00 0.00 H new ATOM 0 HA THR A 45 -15.502 4.097 -5.492 1.00 0.00 H new ATOM 0 HB THR A 45 -17.547 4.540 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.399 2.699 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.763 2.397 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.672 2.395 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.220 1.513 -4.208 1.00 0.00 H new ATOM 734 N PRO A 46 -14.835 6.015 -4.020 1.00 0.00 N ATOM 735 CA PRO A 46 -14.117 7.063 -3.316 1.00 0.00 C ATOM 736 C PRO A 46 -14.784 7.381 -1.976 1.00 0.00 C ATOM 737 O PRO A 46 -15.888 6.910 -1.702 1.00 0.00 O ATOM 738 CB PRO A 46 -14.110 8.246 -4.271 1.00 0.00 C ATOM 739 CG PRO A 46 -15.218 7.975 -5.276 1.00 0.00 C ATOM 740 CD PRO A 46 -15.628 6.519 -5.139 1.00 0.00 C ATOM 0 HA PRO A 46 -13.099 6.772 -3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.286 9.180 -3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.145 8.341 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.069 8.630 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.872 8.180 -6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.696 6.425 -4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.422 5.962 -6.053 1.00 0.00 H new ATOM 748 N GLY A 47 -14.088 8.176 -1.178 1.00 0.00 N ATOM 749 CA GLY A 47 -14.600 8.562 0.126 1.00 0.00 C ATOM 750 C GLY A 47 -14.176 7.557 1.200 1.00 0.00 C ATOM 751 O GLY A 47 -14.116 7.895 2.381 1.00 0.00 O ATOM 0 H GLY A 47 -13.173 8.564 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.232 9.555 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.688 8.624 0.090 1.00 0.00 H new ATOM 755 N GLU A 48 -13.894 6.343 0.751 1.00 0.00 N ATOM 756 CA GLU A 48 -13.478 5.287 1.659 1.00 0.00 C ATOM 757 C GLU A 48 -11.975 5.034 1.525 1.00 0.00 C ATOM 758 O GLU A 48 -11.521 4.484 0.523 1.00 0.00 O ATOM 759 CB GLU A 48 -14.275 4.005 1.411 1.00 0.00 C ATOM 760 CG GLU A 48 -13.893 3.373 0.070 1.00 0.00 C ATOM 761 CD GLU A 48 -15.113 2.748 -0.608 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.180 2.735 0.042 1.00 0.00 O ATOM 763 OE2 GLU A 48 -14.951 2.295 -1.762 1.00 0.00 O ATOM 0 H GLU A 48 -13.945 6.067 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.682 5.610 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.090 3.296 2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.342 4.228 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.458 4.130 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.130 2.611 0.227 1.00 0.00 H new ATOM 770 N THR A 49 -11.244 5.447 2.551 1.00 0.00 N ATOM 771 CA THR A 49 -9.802 5.271 2.559 1.00 0.00 C ATOM 772 C THR A 49 -9.444 3.789 2.439 1.00 0.00 C ATOM 773 O THR A 49 -10.247 2.923 2.784 1.00 0.00 O ATOM 774 CB THR A 49 -9.255 5.927 3.828 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.093 5.428 4.867 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.489 7.439 3.854 1.00 0.00 C ATOM 0 H THR A 49 -11.623 5.902 3.381 1.00 0.00 H new ATOM 0 HA THR A 49 -9.339 5.755 1.699 1.00 0.00 H new ATOM 0 HB THR A 49 -8.187 5.724 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.807 5.802 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.082 7.854 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.994 7.899 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.559 7.642 3.806 1.00 0.00 H new ATOM 784 N ALA A 50 -8.239 3.541 1.950 1.00 0.00 N ATOM 785 CA ALA A 50 -7.765 2.178 1.780 1.00 0.00 C ATOM 786 C ALA A 50 -6.517 1.966 2.639 1.00 0.00 C ATOM 787 O ALA A 50 -5.806 2.919 2.954 1.00 0.00 O ATOM 788 CB ALA A 50 -7.504 1.910 0.296 1.00 0.00 C ATOM 0 H ALA A 50 -7.575 4.261 1.666 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.519 1.465 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.148 0.888 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.428 2.046 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.750 2.605 -0.072 1.00 0.00 H new ATOM 794 N HIS A 51 -6.289 0.709 2.994 1.00 0.00 N ATOM 795 CA HIS A 51 -5.140 0.360 3.811 1.00 0.00 C ATOM 796 C HIS A 51 -4.672 -1.054 3.460 1.00 0.00 C ATOM 797 O HIS A 51 -5.175 -2.032 4.011 1.00 0.00 O ATOM 798 CB HIS A 51 -5.458 0.528 5.297 1.00 0.00 C ATOM 799 CG HIS A 51 -6.504 1.577 5.586 1.00 0.00 C ATOM 800 ND1 HIS A 51 -6.475 2.932 5.429 1.00 0.00 N flip ATOM 801 CD2 HIS A 51 -7.751 1.271 6.101 1.00 0.00 C flip ATOM 802 CE1 HIS A 51 -7.642 3.426 5.825 1.00 0.00 C flip ATOM 803 NE2 HIS A 51 -8.435 2.397 6.242 1.00 0.00 N flip ATOM 0 H HIS A 51 -6.881 -0.079 2.731 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.317 1.042 3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.797 -0.428 5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.542 0.788 5.827 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.107 0.281 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.918 4.470 5.818 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.387 2.480 6.599 1.00 0.00 H new ATOM 812 N VAL A 52 -3.715 -1.118 2.546 1.00 0.00 N ATOM 813 CA VAL A 52 -3.174 -2.396 2.116 1.00 0.00 C ATOM 814 C VAL A 52 -1.725 -2.517 2.591 1.00 0.00 C ATOM 815 O VAL A 52 -1.005 -1.522 2.659 1.00 0.00 O ATOM 816 CB VAL A 52 -3.321 -2.543 0.600 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.245 -1.181 -0.092 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.272 -3.503 0.038 1.00 0.00 C ATOM 0 H VAL A 52 -3.300 -0.305 2.091 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.733 -3.218 2.564 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.305 -2.967 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.352 -1.313 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.046 -0.540 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.282 -0.717 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.399 -3.589 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.275 -3.121 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.393 -4.484 0.497 1.00 0.00 H new ATOM 828 N ARG A 53 -1.340 -3.745 2.906 1.00 0.00 N ATOM 829 CA ARG A 53 0.010 -4.010 3.373 1.00 0.00 C ATOM 830 C ARG A 53 0.944 -4.252 2.185 1.00 0.00 C ATOM 831 O ARG A 53 1.087 -5.384 1.724 1.00 0.00 O ATOM 832 CB ARG A 53 0.045 -5.228 4.298 1.00 0.00 C ATOM 833 CG ARG A 53 -0.859 -5.020 5.514 1.00 0.00 C ATOM 834 CD ARG A 53 -0.502 -5.994 6.636 1.00 0.00 C ATOM 835 NE ARG A 53 -1.625 -6.929 6.873 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.744 -7.701 7.962 1.00 0.00 C ATOM 837 NH1 ARG A 53 -0.809 -7.656 8.921 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.798 -8.518 8.091 1.00 0.00 N ATOM 0 H ARG A 53 -1.940 -4.568 2.847 1.00 0.00 H new ATOM 0 HA ARG A 53 0.345 -3.136 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.275 -6.114 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.068 -5.409 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.762 -3.995 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.901 -5.159 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.397 -6.552 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.278 -5.443 7.549 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.354 -6.989 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.007 -7.034 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.900 -8.244 9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.509 -8.552 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.889 -9.106 8.920 1.00 0.00 H new ATOM 852 N VAL A 54 1.555 -3.171 1.723 1.00 0.00 N ATOM 853 CA VAL A 54 2.470 -3.253 0.598 1.00 0.00 C ATOM 854 C VAL A 54 3.879 -3.554 1.113 1.00 0.00 C ATOM 855 O VAL A 54 4.274 -3.066 2.170 1.00 0.00 O ATOM 856 CB VAL A 54 2.399 -1.968 -0.230 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.501 -0.732 0.667 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.479 -1.952 -1.313 1.00 0.00 C ATOM 0 H VAL A 54 1.434 -2.234 2.107 1.00 0.00 H new ATOM 0 HA VAL A 54 2.185 -4.068 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 54 1.429 -1.942 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.448 0.168 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.679 -0.733 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.449 -0.750 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.406 -1.028 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.462 -2.013 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.340 -2.804 -1.979 1.00 0.00 H new ATOM 868 N PRO A 55 4.617 -4.377 0.321 1.00 0.00 N ATOM 869 CA PRO A 55 5.973 -4.748 0.686 1.00 0.00 C ATOM 870 C PRO A 55 6.943 -3.591 0.445 1.00 0.00 C ATOM 871 O PRO A 55 6.896 -2.944 -0.600 1.00 0.00 O ATOM 872 CB PRO A 55 6.287 -5.972 -0.160 1.00 0.00 C ATOM 873 CG PRO A 55 5.279 -5.962 -1.297 1.00 0.00 C ATOM 874 CD PRO A 55 4.182 -4.973 -0.939 1.00 0.00 C ATOM 0 HA PRO A 55 6.075 -4.976 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.307 -5.932 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.203 -6.886 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.761 -5.676 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.861 -6.958 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.062 -4.216 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.219 -5.472 -0.829 1.00 0.00 H new ATOM 882 N PHE A 56 7.801 -3.363 1.429 1.00 0.00 N ATOM 883 CA PHE A 56 8.780 -2.294 1.337 1.00 0.00 C ATOM 884 C PHE A 56 9.517 -2.340 -0.003 1.00 0.00 C ATOM 885 O PHE A 56 9.799 -1.300 -0.596 1.00 0.00 O ATOM 886 CB PHE A 56 9.788 -2.512 2.469 1.00 0.00 C ATOM 887 CG PHE A 56 10.525 -1.242 2.898 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.821 -0.158 3.321 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.883 -1.197 2.857 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.505 1.021 3.720 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.567 -0.018 3.256 1.00 0.00 C ATOM 892 CZ PHE A 56 11.863 1.066 3.679 1.00 0.00 C ATOM 0 H PHE A 56 7.838 -3.901 2.295 1.00 0.00 H new ATOM 0 HA PHE A 56 8.284 -1.327 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.266 -2.926 3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.520 -3.255 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.742 -0.194 3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.442 -2.058 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.946 1.882 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.646 0.018 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.383 1.963 3.982 1.00 0.00 H new ATOM 902 N VAL A 57 9.810 -3.557 -0.440 1.00 0.00 N ATOM 903 CA VAL A 57 10.510 -3.752 -1.699 1.00 0.00 C ATOM 904 C VAL A 57 9.615 -3.289 -2.851 1.00 0.00 C ATOM 905 O VAL A 57 10.104 -2.993 -3.939 1.00 0.00 O ATOM 906 CB VAL A 57 10.949 -5.211 -1.831 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.815 -6.163 -1.447 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.456 -5.503 -3.245 1.00 0.00 C ATOM 0 H VAL A 57 9.575 -4.417 0.055 1.00 0.00 H new ATOM 0 HA VAL A 57 11.418 -3.149 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 57 11.773 -5.377 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.155 -7.194 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.520 -5.980 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.961 -5.995 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.762 -6.547 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.660 -5.311 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.308 -4.860 -3.466 1.00 0.00 H new ATOM 918 N ASN A 58 8.321 -3.243 -2.571 1.00 0.00 N ATOM 919 CA ASN A 58 7.354 -2.822 -3.570 1.00 0.00 C ATOM 920 C ASN A 58 6.665 -1.540 -3.099 1.00 0.00 C ATOM 921 O ASN A 58 5.660 -1.124 -3.672 1.00 0.00 O ATOM 922 CB ASN A 58 6.277 -3.887 -3.778 1.00 0.00 C ATOM 923 CG ASN A 58 5.556 -3.687 -5.113 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.910 -2.679 -5.354 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.701 -4.699 -5.964 1.00 0.00 N ATOM 0 H ASN A 58 7.920 -3.490 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 58 7.887 -2.660 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.731 -4.878 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.556 -3.844 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.258 -4.661 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.255 -5.513 -5.699 1.00 0.00 H new ATOM 932 N VAL A 59 7.235 -0.948 -2.060 1.00 0.00 N ATOM 933 CA VAL A 59 6.688 0.279 -1.505 1.00 0.00 C ATOM 934 C VAL A 59 7.072 1.457 -2.405 1.00 0.00 C ATOM 935 O VAL A 59 6.284 2.383 -2.590 1.00 0.00 O ATOM 936 CB VAL A 59 7.158 0.455 -0.060 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.287 1.937 0.299 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.221 -0.266 0.912 1.00 0.00 C ATOM 0 H VAL A 59 8.070 -1.295 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 59 5.599 0.232 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 59 8.146 0.003 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.623 2.033 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.012 2.410 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.319 2.425 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.577 -0.125 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.215 0.144 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.202 -1.330 0.678 1.00 0.00 H new ATOM 948 N GLN A 60 8.281 1.380 -2.940 1.00 0.00 N ATOM 949 CA GLN A 60 8.778 2.428 -3.817 1.00 0.00 C ATOM 950 C GLN A 60 7.952 2.480 -5.104 1.00 0.00 C ATOM 951 O GLN A 60 7.210 3.433 -5.331 1.00 0.00 O ATOM 952 CB GLN A 60 10.263 2.225 -4.126 1.00 0.00 C ATOM 953 CG GLN A 60 10.934 3.552 -4.488 1.00 0.00 C ATOM 954 CD GLN A 60 11.812 4.054 -3.339 1.00 0.00 C ATOM 955 OE1 GLN A 60 12.007 3.388 -2.336 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.329 5.263 -3.542 1.00 0.00 N ATOM 0 H GLN A 60 8.931 0.610 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 60 8.674 3.384 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.761 1.785 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.374 1.521 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.540 3.424 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.173 4.297 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.125 5.766 -4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.929 5.686 -2.834 1.00 0.00 H new ATOM 965 N ALA A 61 8.110 1.442 -5.912 1.00 0.00 N ATOM 966 CA ALA A 61 7.388 1.357 -7.170 1.00 0.00 C ATOM 967 C ALA A 61 5.935 1.785 -6.950 1.00 0.00 C ATOM 968 O ALA A 61 5.331 2.414 -7.817 1.00 0.00 O ATOM 969 CB ALA A 61 7.499 -0.063 -7.729 1.00 0.00 C ATOM 0 H ALA A 61 8.727 0.653 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 61 7.823 2.032 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.957 -0.126 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.548 -0.307 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.071 -0.769 -7.017 1.00 0.00 H new ATOM 975 N VAL A 62 5.416 1.425 -5.784 1.00 0.00 N ATOM 976 CA VAL A 62 4.047 1.764 -5.439 1.00 0.00 C ATOM 977 C VAL A 62 3.972 3.244 -5.059 1.00 0.00 C ATOM 978 O VAL A 62 3.062 3.953 -5.485 1.00 0.00 O ATOM 979 CB VAL A 62 3.541 0.836 -4.332 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.286 1.406 -3.669 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.285 -0.572 -4.872 1.00 0.00 C ATOM 0 H VAL A 62 5.920 0.902 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 62 3.390 1.615 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 62 4.319 0.767 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.948 0.727 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.515 2.378 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.500 1.520 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.926 -1.211 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.535 -0.528 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.212 -0.981 -5.275 1.00 0.00 H new ATOM 991 N LYS A 63 4.941 3.666 -4.260 1.00 0.00 N ATOM 992 CA LYS A 63 4.997 5.049 -3.818 1.00 0.00 C ATOM 993 C LYS A 63 5.052 5.970 -5.039 1.00 0.00 C ATOM 994 O LYS A 63 4.549 7.091 -5.000 1.00 0.00 O ATOM 995 CB LYS A 63 6.156 5.253 -2.841 1.00 0.00 C ATOM 996 CG LYS A 63 5.721 4.958 -1.404 1.00 0.00 C ATOM 997 CD LYS A 63 5.849 6.205 -0.526 1.00 0.00 C ATOM 998 CE LYS A 63 5.053 6.046 0.772 1.00 0.00 C ATOM 999 NZ LYS A 63 5.949 6.150 1.945 1.00 0.00 N ATOM 0 H LYS A 63 5.693 3.075 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 63 4.094 5.308 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.986 4.601 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.519 6.278 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.689 4.608 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.332 4.155 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.899 6.384 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.490 7.077 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.280 6.813 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.546 5.081 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.553 5.601 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.888 5.775 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.037 7.147 2.227 1.00 0.00 H new ATOM 1013 N VAL A 64 5.669 5.461 -6.095 1.00 0.00 N ATOM 1014 CA VAL A 64 5.798 6.223 -7.326 1.00 0.00 C ATOM 1015 C VAL A 64 4.461 6.209 -8.070 1.00 0.00 C ATOM 1016 O VAL A 64 4.056 7.219 -8.644 1.00 0.00 O ATOM 1017 CB VAL A 64 6.955 5.673 -8.163 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.808 6.076 -9.632 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.303 6.128 -7.602 1.00 0.00 C ATOM 0 H VAL A 64 6.085 4.530 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 64 6.039 7.264 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 64 6.920 4.585 -8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.643 5.673 -10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.872 5.680 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.804 7.163 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.108 5.723 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.352 7.217 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.411 5.769 -6.579 1.00 0.00 H new ATOM 1029 N PHE A 65 3.814 5.054 -8.038 1.00 0.00 N ATOM 1030 CA PHE A 65 2.532 4.895 -8.703 1.00 0.00 C ATOM 1031 C PHE A 65 1.499 5.876 -8.143 1.00 0.00 C ATOM 1032 O PHE A 65 0.888 6.636 -8.893 1.00 0.00 O ATOM 1033 CB PHE A 65 2.060 3.466 -8.430 1.00 0.00 C ATOM 1034 CG PHE A 65 0.949 2.988 -9.368 1.00 0.00 C ATOM 1035 CD1 PHE A 65 1.039 3.222 -10.704 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.129 2.329 -8.864 1.00 0.00 C ATOM 1037 CE1 PHE A 65 0.008 2.778 -11.574 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.161 1.886 -9.734 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.070 2.119 -11.071 1.00 0.00 C ATOM 0 H PHE A 65 4.154 4.218 -7.562 1.00 0.00 H new ATOM 0 HA PHE A 65 2.640 5.091 -9.770 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.911 2.790 -8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.706 3.401 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.895 3.746 -11.104 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.200 2.143 -7.803 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.080 2.964 -12.635 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.018 1.364 -9.334 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.854 1.781 -11.733 1.00 0.00 H new ATOM 1049 N LEU A 66 1.336 5.828 -6.829 1.00 0.00 N ATOM 1050 CA LEU A 66 0.388 6.703 -6.160 1.00 0.00 C ATOM 1051 C LEU A 66 0.567 8.132 -6.675 1.00 0.00 C ATOM 1052 O LEU A 66 -0.370 8.727 -7.205 1.00 0.00 O ATOM 1053 CB LEU A 66 0.522 6.576 -4.641 1.00 0.00 C ATOM 1054 CG LEU A 66 0.044 5.256 -4.034 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.624 5.054 -2.632 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.484 5.172 -4.038 1.00 0.00 C ATOM 0 H LEU A 66 1.844 5.197 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.634 6.406 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.570 6.717 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.036 7.389 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 66 0.414 4.441 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.268 4.108 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.712 5.039 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.305 5.871 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.797 4.224 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.895 5.995 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.849 5.238 -5.063 1.00 0.00 H new ATOM 1068 N GLU A 67 1.778 8.641 -6.503 1.00 0.00 N ATOM 1069 CA GLU A 67 2.093 9.990 -6.944 1.00 0.00 C ATOM 1070 C GLU A 67 1.803 10.140 -8.439 1.00 0.00 C ATOM 1071 O GLU A 67 1.270 11.161 -8.872 1.00 0.00 O ATOM 1072 CB GLU A 67 3.548 10.345 -6.630 1.00 0.00 C ATOM 1073 CG GLU A 67 3.668 10.993 -5.249 1.00 0.00 C ATOM 1074 CD GLU A 67 3.918 12.497 -5.369 1.00 0.00 C ATOM 1075 OE1 GLU A 67 5.108 12.870 -5.449 1.00 0.00 O ATOM 1076 OE2 GLU A 67 2.913 13.240 -5.378 1.00 0.00 O ATOM 0 H GLU A 67 2.553 8.144 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 67 1.458 10.687 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.162 9.445 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.932 11.026 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.755 10.817 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.484 10.528 -4.695 1.00 0.00 H new ATOM 1083 N SER A 68 2.166 9.108 -9.186 1.00 0.00 N ATOM 1084 CA SER A 68 1.950 9.112 -10.623 1.00 0.00 C ATOM 1085 C SER A 68 0.462 9.293 -10.930 1.00 0.00 C ATOM 1086 O SER A 68 0.095 10.074 -11.806 1.00 0.00 O ATOM 1087 CB SER A 68 2.471 7.824 -11.262 1.00 0.00 C ATOM 1088 OG SER A 68 1.471 6.810 -11.312 1.00 0.00 O ATOM 0 H SER A 68 2.608 8.263 -8.823 1.00 0.00 H new ATOM 0 HA SER A 68 2.506 9.948 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.822 8.037 -12.272 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.329 7.460 -10.696 1.00 0.00 H new ATOM 0 HG SER A 68 1.164 6.609 -10.404 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.355 8.557 -10.190 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.794 8.627 -10.372 1.00 0.00 C ATOM 1096 C GLN A 69 -2.353 9.888 -9.709 1.00 0.00 C ATOM 1097 O GLN A 69 -3.567 10.084 -9.663 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.478 7.372 -9.824 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.185 7.194 -8.332 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.061 6.096 -7.728 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.585 5.145 -7.130 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.365 6.279 -7.917 1.00 0.00 N ATOM 0 H GLN A 69 -0.047 7.910 -9.464 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.003 8.678 -11.441 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.554 7.442 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.132 6.496 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.134 6.943 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.361 8.134 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.696 7.098 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.033 5.601 -7.552 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.441 10.711 -9.213 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.827 11.947 -8.556 1.00 0.00 C ATOM 1113 C GLY A 70 -2.839 11.683 -7.439 1.00 0.00 C ATOM 1114 O GLY A 70 -3.815 12.418 -7.293 1.00 0.00 O ATOM 0 H GLY A 70 -0.435 10.545 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.944 12.435 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.257 12.632 -9.287 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.573 10.629 -6.680 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.447 10.257 -5.582 1.00 0.00 C ATOM 1120 C ILE A 71 -2.884 10.818 -4.275 1.00 0.00 C ATOM 1121 O ILE A 71 -1.774 11.345 -4.249 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.665 8.743 -5.558 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.862 8.375 -4.679 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.392 8.013 -5.129 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.420 7.002 -5.060 1.00 0.00 C ATOM 0 H ILE A 71 -1.764 10.021 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.436 10.695 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.898 8.415 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.561 8.371 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.641 9.130 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.574 6.938 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.589 8.239 -5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.104 8.340 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.270 6.764 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.742 7.016 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.646 6.246 -4.930 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.676 10.685 -3.220 1.00 0.00 N ATOM 1138 CA ALA A 72 -3.270 11.171 -1.913 1.00 0.00 C ATOM 1139 C ALA A 72 -3.278 10.010 -0.916 1.00 0.00 C ATOM 1140 O ALA A 72 -4.325 9.423 -0.651 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.193 12.314 -1.484 1.00 0.00 C ATOM 0 H ALA A 72 -4.597 10.247 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.255 11.567 -1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.889 12.679 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.129 13.125 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.220 11.953 -1.434 1.00 0.00 H new ATOM 1147 N TYR A 73 -2.097 9.714 -0.393 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.954 8.633 0.568 1.00 0.00 C ATOM 1149 C TYR A 73 -1.047 9.048 1.728 1.00 0.00 C ATOM 1150 O TYR A 73 -0.724 10.225 1.878 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.297 7.478 -0.191 1.00 0.00 C ATOM 1152 CG TYR A 73 -0.078 7.891 -1.018 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.236 8.705 -2.121 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.180 7.450 -0.661 1.00 0.00 C ATOM 1155 CE1 TYR A 73 0.911 9.094 -2.900 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.327 7.838 -1.440 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.136 8.641 -2.521 1.00 0.00 C ATOM 1158 OH TYR A 73 3.219 9.008 -3.257 1.00 0.00 O ATOM 0 H TYR A 73 -1.231 10.204 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.923 8.360 0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.996 6.712 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.035 7.025 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.220 9.051 -2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.304 6.814 0.203 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.801 9.731 -3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.317 7.499 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 73 3.525 8.246 -3.792 1.00 0.00 H new ATOM 1168 N SER A 74 -0.663 8.057 2.519 1.00 0.00 N ATOM 1169 CA SER A 74 0.201 8.304 3.662 1.00 0.00 C ATOM 1170 C SER A 74 0.664 6.976 4.264 1.00 0.00 C ATOM 1171 O SER A 74 0.266 5.908 3.801 1.00 0.00 O ATOM 1172 CB SER A 74 -0.515 9.145 4.721 1.00 0.00 C ATOM 1173 OG SER A 74 0.393 9.959 5.458 1.00 0.00 O ATOM 0 H SER A 74 -0.934 7.082 2.392 1.00 0.00 H new ATOM 0 HA SER A 74 1.071 8.864 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.260 9.778 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.050 8.487 5.406 1.00 0.00 H new ATOM 0 HG SER A 74 -0.102 10.482 6.123 1.00 0.00 H new ATOM 1179 N ILE A 75 1.500 7.087 5.286 1.00 0.00 N ATOM 1180 CA ILE A 75 2.022 5.907 5.956 1.00 0.00 C ATOM 1181 C ILE A 75 1.220 5.655 7.234 1.00 0.00 C ATOM 1182 O ILE A 75 1.037 6.561 8.046 1.00 0.00 O ATOM 1183 CB ILE A 75 3.527 6.049 6.193 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.263 6.350 4.885 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.091 4.812 6.896 1.00 0.00 C ATOM 1186 CD1 ILE A 75 4.337 7.857 4.632 1.00 0.00 C ATOM 0 H ILE A 75 1.829 7.975 5.666 1.00 0.00 H new ATOM 0 HA ILE A 75 1.903 5.026 5.325 1.00 0.00 H new ATOM 0 HB ILE A 75 3.689 6.899 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.270 5.935 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.751 5.863 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.162 4.939 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.597 4.684 7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.916 3.931 6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.865 8.043 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.328 8.265 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.871 8.338 5.452 1.00 0.00 H new ATOM 1198 N MET A 76 0.763 4.419 7.372 1.00 0.00 N ATOM 1199 CA MET A 76 -0.016 4.034 8.538 1.00 0.00 C ATOM 1200 C MET A 76 0.882 3.441 9.625 1.00 0.00 C ATOM 1201 O MET A 76 1.012 4.010 10.708 1.00 0.00 O ATOM 1202 CB MET A 76 -1.073 3.007 8.130 1.00 0.00 C ATOM 1203 CG MET A 76 -2.256 3.023 9.100 1.00 0.00 C ATOM 1204 SD MET A 76 -3.089 4.599 9.020 1.00 0.00 S ATOM 1205 CE MET A 76 -4.787 4.050 8.985 1.00 0.00 C ATOM 0 H MET A 76 0.917 3.671 6.696 1.00 0.00 H new ATOM 0 HA MET A 76 -0.500 4.925 8.939 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.423 3.222 7.120 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.629 2.012 8.109 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.952 2.222 8.851 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.907 2.838 10.116 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.448 4.915 8.935 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.948 3.419 8.111 1.00 0.00 H new ATOM 0 HE3 MET A 76 -5.004 3.480 9.888 1.00 0.00 H new ATOM 1215 N ILE A 77 1.478 2.303 9.299 1.00 0.00 N ATOM 1216 CA ILE A 77 2.358 1.624 10.234 1.00 0.00 C ATOM 1217 C ILE A 77 3.453 0.889 9.457 1.00 0.00 C ATOM 1218 O ILE A 77 3.161 0.149 8.519 1.00 0.00 O ATOM 1219 CB ILE A 77 1.554 0.718 11.168 1.00 0.00 C ATOM 1220 CG1 ILE A 77 2.378 0.325 12.395 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.019 -0.504 10.420 1.00 0.00 C ATOM 1222 CD1 ILE A 77 2.935 1.561 13.102 1.00 0.00 C ATOM 0 H ILE A 77 1.368 1.834 8.400 1.00 0.00 H new ATOM 0 HA ILE A 77 2.855 2.347 10.880 1.00 0.00 H new ATOM 0 HB ILE A 77 0.691 1.278 11.527 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.757 -0.245 13.087 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.199 -0.326 12.093 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.451 -1.131 11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.371 -0.178 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.853 -1.075 10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.517 1.252 13.971 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.575 2.115 12.415 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.111 2.198 13.425 1.00 0.00 H new ATOM 1234 N GLU A 78 4.688 1.119 9.876 1.00 0.00 N ATOM 1235 CA GLU A 78 5.826 0.489 9.231 1.00 0.00 C ATOM 1236 C GLU A 78 6.263 -0.750 10.016 1.00 0.00 C ATOM 1237 O GLU A 78 5.427 -1.483 10.541 1.00 0.00 O ATOM 1238 CB GLU A 78 6.985 1.475 9.075 1.00 0.00 C ATOM 1239 CG GLU A 78 7.629 1.783 10.429 1.00 0.00 C ATOM 1240 CD GLU A 78 7.524 3.273 10.760 1.00 0.00 C ATOM 1241 OE1 GLU A 78 8.037 4.072 9.947 1.00 0.00 O ATOM 1242 OE2 GLU A 78 6.936 3.579 11.819 1.00 0.00 O ATOM 0 H GLU A 78 4.925 1.733 10.655 1.00 0.00 H new ATOM 0 HA GLU A 78 5.523 0.175 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.732 1.059 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.623 2.398 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.141 1.198 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.677 1.483 10.414 1.00 0.00 H new