USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 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 -122:sc= -0.548! USER MOD Set 1.2: A 92 GLN : amide:sc= 0.761 K(o=0.21,f=-0.49) USER MOD Set 2.1: A 78 MET CE :methyl 151:sc= -2.43 (180deg=-4.61!) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= -4.11! C(o=-4.3!,f=-7.7!) USER MOD Set 3.2: A 56 TYR OH : rot 30:sc= -0.149 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.12 F(o=-4!,f=-1.1) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.259 F(o=-2!,f=-0.26) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0.977) USER MOD Single : A 23 GLN : amide:sc= -0.0153 X(o=-0.015,f=0.038) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.19) USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.24! C(o=-6.5!,f=-3.2!) USER MOD Single : A 42 SER OG : rot 95:sc= 1.24 USER MOD Single : A 43 GLN :FLIP amide:sc= -2.46! C(o=-4!,f=-2.5!) USER MOD Single : A 47 SER OG : rot -42:sc= 0.0154 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.0475 USER MOD Single : A 61 SER OG : rot 150:sc= -1.27 USER MOD Single : A 72 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.058) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.15 F(o=-2.6!,f=-0.15) USER MOD Single : A 81 ASN :FLIP amide:sc= -1.58 F(o=-2.6!,f=-1.6) USER MOD Single : A 85 MET CE :methyl -144:sc= -1.71 (180deg=-5.12!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-3.5!) USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= 1.8 (180deg=0.88) USER MOD Single : A 98 THR OG1 : rot -40:sc= 0.466 USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.976) USER MOD Single : A 101 SER OG : rot -79:sc= 1.24 USER MOD Single : A 110 THR OG1 : rot -54:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.504 -9.686 -4.185 1.00 0.00 N ATOM 154 CA VAL A 12 -8.327 -9.336 -5.557 1.00 0.00 C ATOM 155 C VAL A 12 -6.976 -8.704 -5.717 1.00 0.00 C ATOM 156 O VAL A 12 -6.744 -7.602 -5.235 1.00 0.00 O ATOM 157 CB VAL A 12 -9.422 -8.356 -6.069 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.248 -8.064 -7.557 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.814 -8.894 -5.789 1.00 0.00 C ATOM 0 HA VAL A 12 -8.409 -10.246 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.305 -7.419 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.027 -7.377 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.270 -7.613 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.322 -8.994 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.558 -8.188 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.942 -9.852 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.943 -9.029 -4.715 1.00 0.00 H new ATOM 169 N VAL A 13 -6.062 -9.426 -6.291 1.00 0.00 N ATOM 170 CA VAL A 13 -4.783 -8.859 -6.596 1.00 0.00 C ATOM 171 C VAL A 13 -4.979 -8.077 -7.882 1.00 0.00 C ATOM 172 O VAL A 13 -5.520 -8.612 -8.858 1.00 0.00 O ATOM 173 CB VAL A 13 -3.692 -9.931 -6.816 1.00 0.00 C ATOM 174 CG1 VAL A 13 -2.310 -9.292 -6.859 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.760 -11.046 -5.776 1.00 0.00 C ATOM 0 H VAL A 13 -6.176 -10.404 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.444 -8.243 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.883 -10.396 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.557 -10.064 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.267 -8.573 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.116 -8.781 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.974 -11.775 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.623 -10.624 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.732 -11.537 -5.832 1.00 0.00 H new ATOM 185 N GLN A 14 -4.617 -6.841 -7.880 1.00 0.00 N ATOM 186 CA GLN A 14 -4.864 -6.004 -9.020 1.00 0.00 C ATOM 187 C GLN A 14 -3.734 -5.018 -9.205 1.00 0.00 C ATOM 188 O GLN A 14 -3.064 -4.643 -8.227 1.00 0.00 O ATOM 189 CB GLN A 14 -6.235 -5.316 -8.852 1.00 0.00 C ATOM 190 CG GLN A 14 -6.357 -4.400 -7.639 1.00 0.00 C ATOM 191 CD GLN A 14 -6.220 -2.948 -8.004 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.039 -2.461 -7.998 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.187 -2.281 -8.311 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.146 -6.379 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.901 -6.604 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.444 -4.734 -9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.004 -6.086 -8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.322 -4.562 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.591 -4.663 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.117 -2.699 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.069 -1.303 -8.574 1.00 0.00 H new ATOM 202 N ARG A 15 -3.522 -4.585 -10.420 1.00 0.00 N ATOM 203 CA ARG A 15 -2.435 -3.679 -10.709 1.00 0.00 C ATOM 204 C ARG A 15 -2.920 -2.238 -10.566 1.00 0.00 C ATOM 205 O ARG A 15 -4.094 -1.948 -10.806 1.00 0.00 O ATOM 206 CB ARG A 15 -1.852 -3.952 -12.142 1.00 0.00 C ATOM 207 CG ARG A 15 -2.729 -3.511 -13.333 1.00 0.00 C ATOM 208 CD ARG A 15 -2.490 -2.041 -13.698 1.00 0.00 C ATOM 209 NE ARG A 15 -3.511 -1.509 -14.597 1.00 0.00 N ATOM 210 CZ ARG A 15 -3.346 -0.465 -15.427 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.133 0.055 -15.644 1.00 0.00 N ATOM 212 NH2 ARG A 15 -4.388 0.028 -16.059 1.00 0.00 N ATOM 0 H ARG A 15 -4.087 -4.844 -11.229 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.628 -3.844 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.889 -3.448 -12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.661 -5.021 -12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.514 -4.140 -14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.780 -3.658 -13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.468 -1.444 -12.786 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.511 -1.942 -14.168 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.423 -1.967 -14.595 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.317 -0.341 -15.177 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.024 0.847 -16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.311 -0.382 -15.917 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.273 0.820 -16.691 1.00 0.00 H new ATOM 226 N VAL A 16 -2.050 -1.366 -10.164 1.00 0.00 N ATOM 227 CA VAL A 16 -2.356 0.041 -10.111 1.00 0.00 C ATOM 228 C VAL A 16 -1.262 0.732 -10.846 1.00 0.00 C ATOM 229 O VAL A 16 -0.137 0.217 -10.893 1.00 0.00 O ATOM 230 CB VAL A 16 -2.362 0.658 -8.693 1.00 0.00 C ATOM 231 CG1 VAL A 16 -3.417 1.718 -8.604 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.443 -0.360 -7.574 1.00 0.00 C ATOM 0 H VAL A 16 -1.105 -1.603 -9.862 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.359 0.161 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.390 1.127 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.416 2.149 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.210 2.499 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.393 1.278 -8.809 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.442 0.155 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.361 -0.939 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.584 -1.029 -7.628 1.00 0.00 H new ATOM 242 N GLU A 17 -1.540 1.857 -11.409 1.00 0.00 N ATOM 243 CA GLU A 17 -0.521 2.565 -12.096 1.00 0.00 C ATOM 244 C GLU A 17 -0.552 4.026 -11.751 1.00 0.00 C ATOM 245 O GLU A 17 -1.410 4.777 -12.210 1.00 0.00 O ATOM 246 CB GLU A 17 -0.583 2.289 -13.592 1.00 0.00 C ATOM 247 CG GLU A 17 0.504 2.945 -14.413 1.00 0.00 C ATOM 248 CD GLU A 17 0.586 2.325 -15.786 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.231 2.649 -16.661 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.441 1.452 -16.000 1.00 0.00 O ATOM 0 H GLU A 17 -2.458 2.302 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 17 0.450 2.201 -11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.534 1.211 -13.749 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.551 2.622 -13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.304 4.013 -14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.463 2.842 -13.904 1.00 0.00 H new ATOM 257 N ILE A 18 0.378 4.417 -10.937 1.00 0.00 N ATOM 258 CA ILE A 18 0.461 5.770 -10.500 1.00 0.00 C ATOM 259 C ILE A 18 1.380 6.520 -11.413 1.00 0.00 C ATOM 260 O ILE A 18 2.481 6.056 -11.727 1.00 0.00 O ATOM 261 CB ILE A 18 0.909 5.941 -8.993 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.264 5.786 -8.003 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.605 7.272 -8.751 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.787 4.393 -7.790 1.00 0.00 C ATOM 0 H ILE A 18 1.100 3.805 -10.558 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.548 6.180 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 18 1.619 5.134 -8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.051 6.183 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.088 6.409 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.895 7.346 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.494 7.337 -9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.926 8.088 -8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.608 4.418 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.144 3.990 -8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.012 3.760 -7.404 1.00 0.00 H new ATOM 276 N HIS A 19 0.905 7.632 -11.875 1.00 0.00 N ATOM 277 CA HIS A 19 1.680 8.506 -12.701 1.00 0.00 C ATOM 278 C HIS A 19 2.216 9.615 -11.828 1.00 0.00 C ATOM 279 O HIS A 19 1.549 10.002 -10.869 1.00 0.00 O ATOM 280 CB HIS A 19 0.812 9.091 -13.832 1.00 0.00 C ATOM 281 CG HIS A 19 0.319 8.097 -14.838 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.611 6.793 -14.981 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.576 8.396 -15.839 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.095 6.279 -16.065 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.794 7.293 -16.543 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.041 7.964 -11.689 1.00 0.00 H new ATOM 0 HA HIS A 19 2.500 7.956 -13.162 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.049 9.590 -13.386 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.389 9.855 -14.353 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.024 9.362 -16.020 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.075 5.265 -16.437 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.419 7.235 -17.347 1.00 0.00 H new ATOM 293 N LYS A 20 3.429 10.069 -12.128 1.00 0.00 N ATOM 294 CA LYS A 20 4.106 11.178 -11.401 1.00 0.00 C ATOM 295 C LYS A 20 3.187 12.297 -10.906 1.00 0.00 C ATOM 296 O LYS A 20 2.392 12.862 -11.667 1.00 0.00 O ATOM 297 CB LYS A 20 5.193 11.810 -12.265 1.00 0.00 C ATOM 298 CG LYS A 20 4.780 12.124 -13.700 1.00 0.00 C ATOM 299 CD LYS A 20 5.888 12.852 -14.436 1.00 0.00 C ATOM 300 CE LYS A 20 5.523 13.132 -15.886 1.00 0.00 C ATOM 301 NZ LYS A 20 5.324 11.890 -16.664 1.00 0.00 N ATOM 0 H LYS A 20 3.989 9.684 -12.888 1.00 0.00 H new ATOM 0 HA LYS A 20 4.520 10.694 -10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.523 12.733 -11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.052 11.139 -12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.537 11.199 -14.223 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.877 12.735 -13.697 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.103 13.792 -13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.799 12.255 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.612 13.730 -15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.311 13.726 -16.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.627 12.044 -17.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.887 11.123 -16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.318 11.629 -16.649 1.00 0.00 H new ATOM 315 N LEU A 21 3.298 12.596 -9.636 1.00 0.00 N ATOM 316 CA LEU A 21 2.601 13.698 -9.043 1.00 0.00 C ATOM 317 C LEU A 21 3.588 14.630 -8.337 1.00 0.00 C ATOM 318 O LEU A 21 4.280 14.235 -7.392 1.00 0.00 O ATOM 319 CB LEU A 21 1.564 13.211 -8.047 1.00 0.00 C ATOM 320 CG LEU A 21 0.816 14.312 -7.308 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.122 15.061 -8.247 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.079 13.768 -6.097 1.00 0.00 C ATOM 0 H LEU A 21 3.881 12.073 -8.983 1.00 0.00 H new ATOM 0 HA LEU A 21 2.093 14.242 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.839 12.590 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.057 12.572 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 21 1.553 15.026 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.644 15.842 -7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.455 15.512 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.849 14.365 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.444 14.581 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.642 13.016 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.793 13.315 -5.409 1.00 0.00 H new ATOM 334 N ARG A 22 3.650 15.847 -8.794 1.00 0.00 N ATOM 335 CA ARG A 22 4.512 16.861 -8.209 1.00 0.00 C ATOM 336 C ARG A 22 3.799 17.590 -7.091 1.00 0.00 C ATOM 337 O ARG A 22 2.826 18.305 -7.335 1.00 0.00 O ATOM 338 CB ARG A 22 4.979 17.867 -9.272 1.00 0.00 C ATOM 339 CG ARG A 22 6.088 17.370 -10.188 1.00 0.00 C ATOM 340 CD ARG A 22 7.373 17.218 -9.401 1.00 0.00 C ATOM 341 NE ARG A 22 8.526 16.822 -10.221 1.00 0.00 N ATOM 342 CZ ARG A 22 9.806 16.992 -9.842 1.00 0.00 C ATOM 343 NH1 ARG A 22 10.077 17.554 -8.660 1.00 0.00 N ATOM 344 NH2 ARG A 22 10.803 16.598 -10.635 1.00 0.00 N ATOM 0 H ARG A 22 3.103 16.177 -9.589 1.00 0.00 H new ATOM 0 HA ARG A 22 5.387 16.356 -7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.122 18.149 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.322 18.771 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.806 16.414 -10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.235 18.071 -11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.599 18.162 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.223 16.475 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 22 8.346 16.394 -11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.315 17.852 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.045 17.685 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.598 16.165 -11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.771 16.730 -10.341 1.00 0.00 H new ATOM 358 N GLN A 23 4.255 17.386 -5.871 1.00 0.00 N ATOM 359 CA GLN A 23 3.694 18.053 -4.735 1.00 0.00 C ATOM 360 C GLN A 23 4.774 18.891 -4.128 1.00 0.00 C ATOM 361 O GLN A 23 5.741 18.340 -3.620 1.00 0.00 O ATOM 362 CB GLN A 23 3.242 17.022 -3.723 1.00 0.00 C ATOM 363 CG GLN A 23 2.128 16.123 -4.199 1.00 0.00 C ATOM 364 CD GLN A 23 0.834 16.856 -4.346 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.513 17.383 -5.395 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.095 16.899 -3.288 1.00 0.00 N ATOM 0 H GLN A 23 5.023 16.753 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 23 2.842 18.666 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.097 16.405 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.915 17.537 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.404 15.681 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.000 15.302 -3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.405 16.442 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.799 17.390 -3.310 1.00 0.00 H new ATOM 375 N GLY A 24 4.656 20.186 -4.235 1.00 0.00 N ATOM 376 CA GLY A 24 5.644 21.079 -3.681 1.00 0.00 C ATOM 377 C GLY A 24 6.940 20.983 -4.437 1.00 0.00 C ATOM 378 O GLY A 24 7.025 21.393 -5.595 1.00 0.00 O ATOM 0 H GLY A 24 3.880 20.652 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.274 22.104 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.812 20.836 -2.632 1.00 0.00 H new ATOM 382 N GLU A 25 7.936 20.418 -3.801 1.00 0.00 N ATOM 383 CA GLU A 25 9.212 20.198 -4.434 1.00 0.00 C ATOM 384 C GLU A 25 9.455 18.710 -4.575 1.00 0.00 C ATOM 385 O GLU A 25 10.552 18.273 -4.888 1.00 0.00 O ATOM 386 CB GLU A 25 10.355 20.820 -3.628 1.00 0.00 C ATOM 387 CG GLU A 25 10.277 22.325 -3.441 1.00 0.00 C ATOM 388 CD GLU A 25 11.457 22.851 -2.664 1.00 0.00 C ATOM 389 OE1 GLU A 25 12.498 23.160 -3.274 1.00 0.00 O ATOM 390 OE2 GLU A 25 11.378 22.947 -1.419 1.00 0.00 O ATOM 0 H GLU A 25 7.885 20.099 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 25 9.187 20.674 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.382 20.350 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.297 20.581 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.237 22.811 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.355 22.580 -2.919 1.00 0.00 H new ATOM 397 N ASN A 26 8.429 17.927 -4.379 1.00 0.00 N ATOM 398 CA ASN A 26 8.600 16.490 -4.387 1.00 0.00 C ATOM 399 C ASN A 26 7.911 15.909 -5.560 1.00 0.00 C ATOM 400 O ASN A 26 7.155 16.579 -6.270 1.00 0.00 O ATOM 401 CB ASN A 26 7.980 15.813 -3.150 1.00 0.00 C ATOM 402 CG ASN A 26 8.175 16.573 -1.896 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.163 16.418 -1.179 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.220 17.380 -1.624 1.00 0.00 N ATOM 0 H ASN A 26 7.475 18.249 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 26 9.676 16.315 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.912 15.676 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.415 14.820 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.252 17.939 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.427 17.464 -2.259 1.00 0.00 H new ATOM 411 N LEU A 27 8.150 14.674 -5.737 1.00 0.00 N ATOM 412 CA LEU A 27 7.504 13.867 -6.695 1.00 0.00 C ATOM 413 C LEU A 27 7.002 12.725 -5.860 1.00 0.00 C ATOM 414 O LEU A 27 7.801 12.014 -5.268 1.00 0.00 O ATOM 415 CB LEU A 27 8.545 13.396 -7.733 1.00 0.00 C ATOM 416 CG LEU A 27 8.061 12.690 -9.024 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.379 11.352 -8.755 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.151 13.596 -9.812 1.00 0.00 C ATOM 0 H LEU A 27 8.842 14.165 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 27 6.709 14.358 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.125 14.268 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.230 12.717 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 27 8.953 12.472 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.063 10.908 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.078 10.682 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.508 11.509 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.821 13.083 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.284 13.857 -9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.689 14.503 -10.086 1.00 0.00 H new ATOM 430 N ILE A 28 5.723 12.619 -5.706 1.00 0.00 N ATOM 431 CA ILE A 28 5.191 11.596 -4.856 1.00 0.00 C ATOM 432 C ILE A 28 4.207 10.783 -5.652 1.00 0.00 C ATOM 433 O ILE A 28 3.759 11.209 -6.716 1.00 0.00 O ATOM 434 CB ILE A 28 4.422 12.182 -3.621 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.903 13.596 -3.246 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.587 11.261 -2.424 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.220 14.168 -2.016 1.00 0.00 C ATOM 0 H ILE A 28 5.030 13.220 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 28 6.030 11.002 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 28 3.371 12.253 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.979 13.570 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.731 14.264 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.050 11.674 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.184 10.277 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.645 11.170 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.610 15.166 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.146 14.227 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.413 13.522 -1.159 1.00 0.00 H new ATOM 449 N LEU A 29 3.865 9.632 -5.139 1.00 0.00 N ATOM 450 CA LEU A 29 2.846 8.810 -5.744 1.00 0.00 C ATOM 451 C LEU A 29 1.492 9.228 -5.190 1.00 0.00 C ATOM 452 O LEU A 29 0.440 8.703 -5.569 1.00 0.00 O ATOM 453 CB LEU A 29 3.081 7.340 -5.433 1.00 0.00 C ATOM 454 CG LEU A 29 4.430 6.746 -5.817 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.409 5.245 -5.617 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.843 7.113 -7.241 1.00 0.00 C ATOM 0 H LEU A 29 4.280 9.237 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 29 2.878 8.943 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.944 7.197 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.304 6.762 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 29 5.184 7.179 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.377 4.827 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.203 5.020 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.632 4.805 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.811 6.665 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.098 6.739 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.915 8.197 -7.331 1.00 0.00 H new ATOM 468 N GLY A 30 1.531 10.145 -4.252 1.00 0.00 N ATOM 469 CA GLY A 30 0.338 10.647 -3.659 1.00 0.00 C ATOM 470 C GLY A 30 -0.060 9.894 -2.397 1.00 0.00 C ATOM 471 O GLY A 30 -0.412 10.507 -1.383 1.00 0.00 O ATOM 0 H GLY A 30 2.391 10.555 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.474 11.702 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.475 10.587 -4.383 1.00 0.00 H new ATOM 475 N PHE A 31 -0.020 8.578 -2.454 1.00 0.00 N ATOM 476 CA PHE A 31 -0.424 7.768 -1.334 1.00 0.00 C ATOM 477 C PHE A 31 0.719 7.575 -0.309 1.00 0.00 C ATOM 478 O PHE A 31 1.884 7.873 -0.587 1.00 0.00 O ATOM 479 CB PHE A 31 -0.986 6.424 -1.827 1.00 0.00 C ATOM 480 CG PHE A 31 0.016 5.501 -2.429 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.344 5.587 -3.760 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.620 4.539 -1.653 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.264 4.729 -4.308 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.536 3.678 -2.189 1.00 0.00 C ATOM 485 CZ PHE A 31 1.863 3.771 -3.521 1.00 0.00 C ATOM 0 H PHE A 31 0.290 8.050 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.217 8.297 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.464 5.918 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.763 6.622 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.126 6.336 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.367 4.463 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.518 4.805 -5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.002 2.927 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.588 3.094 -3.949 1.00 0.00 H new ATOM 495 N SER A 32 0.356 7.093 0.851 1.00 0.00 N ATOM 496 CA SER A 32 1.249 6.847 1.949 1.00 0.00 C ATOM 497 C SER A 32 1.175 5.380 2.362 1.00 0.00 C ATOM 498 O SER A 32 0.234 4.681 1.999 1.00 0.00 O ATOM 499 CB SER A 32 0.826 7.710 3.111 1.00 0.00 C ATOM 500 OG SER A 32 0.786 9.087 2.729 1.00 0.00 O ATOM 0 H SER A 32 -0.612 6.851 1.063 1.00 0.00 H new ATOM 0 HA SER A 32 2.271 7.081 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.156 7.397 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.520 7.578 3.941 1.00 0.00 H new ATOM 0 HG SER A 32 0.986 9.648 3.507 1.00 0.00 H new ATOM 506 N ILE A 33 2.118 4.947 3.166 1.00 0.00 N ATOM 507 CA ILE A 33 2.227 3.560 3.561 1.00 0.00 C ATOM 508 C ILE A 33 2.237 3.467 5.086 1.00 0.00 C ATOM 509 O ILE A 33 2.487 4.468 5.769 1.00 0.00 O ATOM 510 CB ILE A 33 3.541 2.901 3.017 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.757 3.201 3.923 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.821 3.378 1.602 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.049 2.578 3.461 1.00 0.00 C ATOM 0 H ILE A 33 2.836 5.550 3.567 1.00 0.00 H new ATOM 0 HA ILE A 33 1.372 3.029 3.141 1.00 0.00 H new ATOM 0 HB ILE A 33 3.387 1.822 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.891 4.281 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.539 2.849 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.736 2.913 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.989 3.102 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.939 4.462 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.848 2.840 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.939 1.494 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.296 2.948 2.466 1.00 0.00 H new ATOM 525 N GLY A 34 2.015 2.287 5.607 1.00 0.00 N ATOM 526 CA GLY A 34 2.019 2.110 7.031 1.00 0.00 C ATOM 527 C GLY A 34 3.134 1.226 7.463 1.00 0.00 C ATOM 528 O GLY A 34 3.516 1.216 8.621 1.00 0.00 O ATOM 0 H GLY A 34 1.831 1.441 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.111 3.080 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.068 1.682 7.349 1.00 0.00 H new ATOM 532 N GLY A 35 3.702 0.506 6.529 1.00 0.00 N ATOM 533 CA GLY A 35 4.772 -0.364 6.866 1.00 0.00 C ATOM 534 C GLY A 35 4.516 -1.751 6.440 1.00 0.00 C ATOM 535 O GLY A 35 3.473 -2.023 5.932 1.00 0.00 O ATOM 0 H GLY A 35 3.437 0.512 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.690 -0.006 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.932 -0.340 7.944 1.00 0.00 H new ATOM 539 N GLY A 36 5.541 -2.572 6.517 1.00 0.00 N ATOM 540 CA GLY A 36 5.406 -3.972 6.233 1.00 0.00 C ATOM 541 C GLY A 36 5.827 -4.815 7.401 1.00 0.00 C ATOM 542 O GLY A 36 5.282 -4.691 8.476 1.00 0.00 O ATOM 0 H GLY A 36 6.484 -2.283 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.370 -4.194 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.010 -4.227 5.363 1.00 0.00 H new ATOM 546 N ILE A 37 6.880 -5.605 7.215 1.00 0.00 N ATOM 547 CA ILE A 37 7.379 -6.539 8.267 1.00 0.00 C ATOM 548 C ILE A 37 8.019 -5.769 9.413 1.00 0.00 C ATOM 549 O ILE A 37 8.249 -6.287 10.497 1.00 0.00 O ATOM 550 CB ILE A 37 8.437 -7.560 7.721 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.841 -6.901 7.535 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.961 -8.180 6.403 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.921 -5.829 6.511 1.00 0.00 C ATOM 0 H ILE A 37 7.418 -5.630 6.349 1.00 0.00 H new ATOM 0 HA ILE A 37 6.505 -7.091 8.612 1.00 0.00 H new ATOM 0 HB ILE A 37 8.539 -8.349 8.466 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.157 -6.487 8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.556 -7.681 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.709 -8.885 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.019 -8.703 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.816 -7.394 5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.940 -5.443 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.644 -6.234 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.239 -5.021 6.776 1.00 0.00 H new ATOM 565 N ASP A 38 8.288 -4.533 9.121 1.00 0.00 N ATOM 566 CA ASP A 38 8.932 -3.587 9.993 1.00 0.00 C ATOM 567 C ASP A 38 7.946 -3.223 11.113 1.00 0.00 C ATOM 568 O ASP A 38 8.326 -2.781 12.194 1.00 0.00 O ATOM 569 CB ASP A 38 9.235 -2.383 9.095 1.00 0.00 C ATOM 570 CG ASP A 38 10.046 -1.246 9.675 1.00 0.00 C ATOM 571 OD1 ASP A 38 9.769 -0.783 10.764 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.916 -0.737 8.963 1.00 0.00 O ATOM 0 H ASP A 38 8.051 -4.130 8.214 1.00 0.00 H new ATOM 0 HA ASP A 38 9.841 -3.959 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.759 -2.749 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.284 -1.974 8.754 1.00 0.00 H new ATOM 577 N GLN A 39 6.673 -3.477 10.841 1.00 0.00 N ATOM 578 CA GLN A 39 5.603 -3.163 11.754 1.00 0.00 C ATOM 579 C GLN A 39 5.034 -4.513 12.198 1.00 0.00 C ATOM 580 O GLN A 39 5.157 -5.499 11.457 1.00 0.00 O ATOM 581 CB GLN A 39 4.509 -2.346 11.021 1.00 0.00 C ATOM 582 CG GLN A 39 5.007 -1.494 9.911 1.00 0.00 C ATOM 583 CD GLN A 39 6.043 -0.503 10.339 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.000 -0.354 9.499 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.028 0.043 11.439 1.00 0.00 N flip ATOM 0 H GLN A 39 6.361 -3.910 9.972 1.00 0.00 H new ATOM 0 HA GLN A 39 5.950 -2.570 12.600 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.764 -3.036 10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.001 -1.712 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.426 -2.132 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.166 -0.960 9.468 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.243 -0.107 12.072 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.801 0.647 11.719 1.00 0.00 H new ATOM 594 N ASP A 40 4.418 -4.584 13.344 1.00 0.00 N ATOM 595 CA ASP A 40 3.919 -5.878 13.835 1.00 0.00 C ATOM 596 C ASP A 40 2.455 -5.998 13.527 1.00 0.00 C ATOM 597 O ASP A 40 1.697 -5.114 13.889 1.00 0.00 O ATOM 598 CB ASP A 40 4.067 -6.001 15.333 1.00 0.00 C ATOM 599 CG ASP A 40 3.953 -7.434 15.790 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.829 -7.915 16.025 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.982 -8.119 15.906 1.00 0.00 O ATOM 0 H ASP A 40 4.242 -3.790 13.959 1.00 0.00 H new ATOM 0 HA ASP A 40 4.503 -6.657 13.344 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.033 -5.598 15.637 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.302 -5.400 15.825 1.00 0.00 H new ATOM 606 N PRO A 41 2.004 -7.105 12.910 1.00 0.00 N ATOM 607 CA PRO A 41 0.596 -7.284 12.525 1.00 0.00 C ATOM 608 C PRO A 41 -0.373 -7.173 13.709 1.00 0.00 C ATOM 609 O PRO A 41 -1.526 -6.843 13.532 1.00 0.00 O ATOM 610 CB PRO A 41 0.551 -8.687 11.914 1.00 0.00 C ATOM 611 CG PRO A 41 1.787 -9.358 12.402 1.00 0.00 C ATOM 612 CD PRO A 41 2.814 -8.274 12.537 1.00 0.00 C ATOM 0 HA PRO A 41 0.275 -6.501 11.838 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.342 -9.227 12.229 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.529 -8.643 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.612 -9.852 13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.118 -10.125 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.556 -8.512 13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.355 -8.111 11.605 1.00 0.00 H new ATOM 620 N SER A 42 0.133 -7.372 14.916 1.00 0.00 N ATOM 621 CA SER A 42 -0.697 -7.299 16.109 1.00 0.00 C ATOM 622 C SER A 42 -0.981 -5.823 16.487 1.00 0.00 C ATOM 623 O SER A 42 -1.806 -5.537 17.362 1.00 0.00 O ATOM 624 CB SER A 42 0.026 -7.995 17.253 1.00 0.00 C ATOM 625 OG SER A 42 0.635 -9.200 16.789 1.00 0.00 O ATOM 0 H SER A 42 1.114 -7.585 15.096 1.00 0.00 H new ATOM 0 HA SER A 42 -1.650 -7.791 15.915 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.784 -7.333 17.670 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.677 -8.219 18.055 1.00 0.00 H new ATOM 0 HG SER A 42 1.572 -9.026 16.560 1.00 0.00 H new ATOM 631 N GLN A 43 -0.268 -4.903 15.845 1.00 0.00 N ATOM 632 CA GLN A 43 -0.424 -3.476 16.104 1.00 0.00 C ATOM 633 C GLN A 43 -0.603 -2.711 14.807 1.00 0.00 C ATOM 634 O GLN A 43 -0.552 -1.482 14.775 1.00 0.00 O ATOM 635 CB GLN A 43 0.776 -2.943 16.900 1.00 0.00 C ATOM 636 CG GLN A 43 2.134 -3.118 16.263 1.00 0.00 C ATOM 637 CD GLN A 43 3.177 -3.534 17.273 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.788 -4.394 18.176 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.353 -3.164 17.174 1.00 0.00 N flip ATOM 0 H GLN A 43 0.430 -5.124 15.135 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.322 -3.328 16.704 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.619 -1.880 17.084 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.788 -3.437 17.872 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.072 -3.868 15.475 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.437 -2.184 15.791 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.617 -2.490 16.455 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.059 -3.533 17.811 1.00 0.00 H new ATOM 648 N ASN A 44 -0.823 -3.433 13.747 1.00 0.00 N ATOM 649 CA ASN A 44 -1.001 -2.814 12.448 1.00 0.00 C ATOM 650 C ASN A 44 -2.445 -2.701 12.056 1.00 0.00 C ATOM 651 O ASN A 44 -3.217 -3.605 12.294 1.00 0.00 O ATOM 652 CB ASN A 44 -0.281 -3.563 11.368 1.00 0.00 C ATOM 653 CG ASN A 44 1.203 -3.488 11.476 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.739 -2.558 12.073 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.886 -4.422 10.843 1.00 0.00 N ATOM 0 H ASN A 44 -0.885 -4.451 13.747 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.579 -1.814 12.549 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.586 -4.609 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.587 -3.169 10.399 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.906 -4.391 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.395 -5.175 10.361 1.00 0.00 H new ATOM 662 N PRO A 45 -2.804 -1.601 11.383 1.00 0.00 N ATOM 663 CA PRO A 45 -4.178 -1.340 10.947 1.00 0.00 C ATOM 664 C PRO A 45 -4.656 -2.303 9.860 1.00 0.00 C ATOM 665 O PRO A 45 -5.678 -2.970 9.991 1.00 0.00 O ATOM 666 CB PRO A 45 -4.093 0.083 10.369 1.00 0.00 C ATOM 667 CG PRO A 45 -2.661 0.284 10.022 1.00 0.00 C ATOM 668 CD PRO A 45 -1.892 -0.490 11.025 1.00 0.00 C ATOM 0 HA PRO A 45 -4.885 -1.462 11.767 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.729 0.188 9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.429 0.823 11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.450 -0.066 9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.395 1.340 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.953 -0.859 10.612 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.641 0.118 11.894 1.00 0.00 H new ATOM 676 N PHE A 46 -3.884 -2.403 8.808 1.00 0.00 N ATOM 677 CA PHE A 46 -4.293 -3.157 7.644 1.00 0.00 C ATOM 678 C PHE A 46 -3.478 -4.426 7.519 1.00 0.00 C ATOM 679 O PHE A 46 -3.434 -5.052 6.471 1.00 0.00 O ATOM 680 CB PHE A 46 -4.143 -2.283 6.388 1.00 0.00 C ATOM 681 CG PHE A 46 -4.832 -0.944 6.515 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.210 -0.832 6.384 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.097 0.200 6.785 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.833 0.396 6.519 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.717 1.421 6.925 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.080 1.518 6.791 1.00 0.00 C ATOM 0 H PHE A 46 -2.964 -1.970 8.731 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.339 -3.443 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.084 -2.123 6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.552 -2.816 5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.801 -1.712 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.024 0.132 6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.905 0.475 6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.131 2.303 7.140 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.564 2.477 6.899 1.00 0.00 H new ATOM 696 N SER A 47 -2.851 -4.816 8.601 1.00 0.00 N ATOM 697 CA SER A 47 -2.042 -6.012 8.577 1.00 0.00 C ATOM 698 C SER A 47 -2.521 -6.982 9.636 1.00 0.00 C ATOM 699 O SER A 47 -2.012 -8.074 9.728 1.00 0.00 O ATOM 700 CB SER A 47 -0.591 -5.668 8.861 1.00 0.00 C ATOM 701 OG SER A 47 0.314 -6.662 8.392 1.00 0.00 O ATOM 0 H SER A 47 -2.883 -4.332 9.498 1.00 0.00 H new ATOM 0 HA SER A 47 -2.129 -6.465 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.350 -4.714 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.457 -5.539 9.935 1.00 0.00 H new ATOM 0 HG SER A 47 -0.040 -7.552 8.601 1.00 0.00 H new ATOM 782 N LYS A 53 2.468 -9.851 6.514 1.00 0.00 N ATOM 783 CA LYS A 53 2.966 -8.482 6.501 1.00 0.00 C ATOM 784 C LYS A 53 3.139 -7.967 5.077 1.00 0.00 C ATOM 785 O LYS A 53 2.911 -8.684 4.111 1.00 0.00 O ATOM 786 CB LYS A 53 4.312 -8.451 7.207 1.00 0.00 C ATOM 787 CG LYS A 53 4.255 -8.736 8.695 1.00 0.00 C ATOM 788 CD LYS A 53 5.540 -9.393 9.164 1.00 0.00 C ATOM 789 CE LYS A 53 5.670 -9.373 10.664 1.00 0.00 C ATOM 790 NZ LYS A 53 6.854 -10.123 11.138 1.00 0.00 N ATOM 0 HA LYS A 53 2.243 -7.843 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.970 -9.181 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.763 -7.470 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.095 -7.807 9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.407 -9.386 8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.569 -10.424 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.393 -8.880 8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.737 -8.340 11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.771 -9.799 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.900 -10.080 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.780 -11.115 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.716 -9.702 10.736 1.00 0.00 H new ATOM 804 N GLY A 54 3.550 -6.739 4.960 1.00 0.00 N ATOM 805 CA GLY A 54 3.759 -6.144 3.668 1.00 0.00 C ATOM 806 C GLY A 54 3.406 -4.710 3.726 1.00 0.00 C ATOM 807 O GLY A 54 2.655 -4.349 4.561 1.00 0.00 O ATOM 0 H GLY A 54 3.749 -6.124 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.799 -6.262 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.150 -6.650 2.919 1.00 0.00 H new ATOM 811 N ILE A 55 3.990 -3.902 2.888 1.00 0.00 N ATOM 812 CA ILE A 55 3.707 -2.484 2.851 1.00 0.00 C ATOM 813 C ILE A 55 2.289 -2.255 2.349 1.00 0.00 C ATOM 814 O ILE A 55 1.902 -2.765 1.311 1.00 0.00 O ATOM 815 CB ILE A 55 4.743 -1.722 1.961 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.152 -1.885 2.527 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.399 -0.244 1.832 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.379 -1.190 3.822 1.00 0.00 C ATOM 0 H ILE A 55 4.682 -4.205 2.203 1.00 0.00 H new ATOM 0 HA ILE A 55 3.793 -2.087 3.863 1.00 0.00 H new ATOM 0 HB ILE A 55 4.703 -2.161 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.357 -2.948 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.869 -1.510 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.143 0.249 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.414 -0.138 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.394 0.216 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.405 -1.359 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.210 -0.121 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.689 -1.581 4.570 1.00 0.00 H new ATOM 830 N TYR A 56 1.519 -1.544 3.116 1.00 0.00 N ATOM 831 CA TYR A 56 0.152 -1.227 2.776 1.00 0.00 C ATOM 832 C TYR A 56 -0.058 0.249 2.811 1.00 0.00 C ATOM 833 O TYR A 56 0.677 0.971 3.498 1.00 0.00 O ATOM 834 CB TYR A 56 -0.841 -1.939 3.714 1.00 0.00 C ATOM 835 CG TYR A 56 -0.310 -2.022 5.107 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.285 -0.923 5.946 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.263 -3.179 5.532 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.290 -1.004 7.183 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.857 -3.279 6.743 1.00 0.00 C ATOM 840 CZ TYR A 56 0.863 -2.181 7.584 1.00 0.00 C ATOM 841 OH TYR A 56 1.495 -2.238 8.784 1.00 0.00 O ATOM 0 H TYR A 56 1.821 -1.159 4.011 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.036 -1.586 1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.790 -1.403 3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.042 -2.943 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.724 0.008 5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.243 -4.043 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.292 -0.146 7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.321 -4.205 7.050 1.00 0.00 H new ATOM 0 HH TYR A 56 1.077 -1.605 9.404 1.00 0.00 H new ATOM 851 N VAL A 57 -1.038 0.682 2.084 1.00 0.00 N ATOM 852 CA VAL A 57 -1.393 2.070 1.993 1.00 0.00 C ATOM 853 C VAL A 57 -2.241 2.482 3.177 1.00 0.00 C ATOM 854 O VAL A 57 -3.231 1.815 3.501 1.00 0.00 O ATOM 855 CB VAL A 57 -2.166 2.338 0.694 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.578 3.779 0.578 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.334 1.940 -0.485 1.00 0.00 C ATOM 0 H VAL A 57 -1.630 0.070 1.523 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.474 2.656 1.994 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.076 1.738 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.122 3.928 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.220 4.043 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.691 4.413 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.889 2.133 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.410 2.519 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.096 0.878 -0.421 1.00 0.00 H new ATOM 867 N THR A 58 -1.865 3.560 3.816 1.00 0.00 N ATOM 868 CA THR A 58 -2.599 4.059 4.943 1.00 0.00 C ATOM 869 C THR A 58 -3.390 5.312 4.572 1.00 0.00 C ATOM 870 O THR A 58 -4.337 5.694 5.255 1.00 0.00 O ATOM 871 CB THR A 58 -1.633 4.350 6.071 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.480 5.004 5.514 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.230 3.062 6.782 1.00 0.00 C ATOM 0 H THR A 58 -1.044 4.113 3.569 1.00 0.00 H new ATOM 0 HA THR A 58 -3.317 3.304 5.264 1.00 0.00 H new ATOM 0 HB THR A 58 -2.107 4.995 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.224 5.060 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.535 3.294 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.117 2.581 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.749 2.389 6.072 1.00 0.00 H new ATOM 881 N ARG A 59 -2.984 5.944 3.492 1.00 0.00 N ATOM 882 CA ARG A 59 -3.623 7.138 2.955 1.00 0.00 C ATOM 883 C ARG A 59 -3.341 7.209 1.492 1.00 0.00 C ATOM 884 O ARG A 59 -2.247 6.890 1.103 1.00 0.00 O ATOM 885 CB ARG A 59 -3.013 8.382 3.581 1.00 0.00 C ATOM 886 CG ARG A 59 -3.570 8.793 4.929 1.00 0.00 C ATOM 887 CD ARG A 59 -2.829 9.994 5.481 1.00 0.00 C ATOM 888 NE ARG A 59 -1.425 9.688 5.802 1.00 0.00 N ATOM 889 CZ ARG A 59 -0.395 10.547 5.710 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.577 11.776 5.222 1.00 0.00 N ATOM 891 NH2 ARG A 59 0.813 10.169 6.103 1.00 0.00 N ATOM 0 H ARG A 59 -2.180 5.638 2.945 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.692 7.090 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.940 8.221 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.143 9.213 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.630 9.029 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.491 7.960 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.864 10.805 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.335 10.349 6.379 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.216 8.742 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.504 12.071 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.211 12.420 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.958 9.230 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.598 10.817 6.035 1.00 0.00 H new ATOM 905 N VAL A 60 -4.291 7.575 0.664 1.00 0.00 N ATOM 906 CA VAL A 60 -4.019 7.802 -0.644 1.00 0.00 C ATOM 907 C VAL A 60 -4.129 9.269 -0.923 1.00 0.00 C ATOM 908 O VAL A 60 -4.510 10.045 -0.054 1.00 0.00 O ATOM 909 CB VAL A 60 -4.935 7.039 -1.567 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.709 5.563 -1.507 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.392 7.386 -1.416 1.00 0.00 C ATOM 0 H VAL A 60 -5.266 7.711 0.929 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.005 7.450 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.657 7.373 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.394 5.062 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.682 5.340 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.886 5.209 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.982 6.793 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.714 7.171 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.537 8.446 -1.626 1.00 0.00 H new ATOM 921 N SER A 61 -3.796 9.644 -2.105 1.00 0.00 N ATOM 922 CA SER A 61 -3.915 10.994 -2.506 1.00 0.00 C ATOM 923 C SER A 61 -5.375 11.235 -2.807 1.00 0.00 C ATOM 924 O SER A 61 -5.909 10.629 -3.719 1.00 0.00 O ATOM 925 CB SER A 61 -3.094 11.202 -3.749 1.00 0.00 C ATOM 926 OG SER A 61 -2.920 12.567 -4.054 1.00 0.00 O ATOM 0 H SER A 61 -3.432 9.018 -2.823 1.00 0.00 H new ATOM 0 HA SER A 61 -3.564 11.678 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.118 10.734 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.578 10.703 -4.589 1.00 0.00 H new ATOM 0 HG SER A 61 -2.063 12.693 -4.511 1.00 0.00 H new ATOM 932 N GLU A 62 -5.982 12.113 -2.030 1.00 0.00 N ATOM 933 CA GLU A 62 -7.425 12.466 -2.072 1.00 0.00 C ATOM 934 C GLU A 62 -7.947 12.876 -3.463 1.00 0.00 C ATOM 935 O GLU A 62 -9.150 12.955 -3.684 1.00 0.00 O ATOM 936 CB GLU A 62 -7.668 13.585 -1.087 1.00 0.00 C ATOM 937 CG GLU A 62 -6.718 14.746 -1.283 1.00 0.00 C ATOM 938 CD GLU A 62 -7.010 15.904 -0.400 1.00 0.00 C ATOM 939 OE1 GLU A 62 -6.691 15.854 0.805 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.539 16.907 -0.902 1.00 0.00 O ATOM 0 H GLU A 62 -5.477 12.634 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.978 11.564 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.694 13.938 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.563 13.201 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.699 14.407 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.763 15.071 -2.322 1.00 0.00 H new ATOM 947 N GLY A 63 -7.061 13.185 -4.345 1.00 0.00 N ATOM 948 CA GLY A 63 -7.422 13.517 -5.694 1.00 0.00 C ATOM 949 C GLY A 63 -6.240 13.336 -6.573 1.00 0.00 C ATOM 950 O GLY A 63 -6.092 14.012 -7.590 1.00 0.00 O ATOM 0 H GLY A 63 -6.059 13.217 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.241 12.882 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.775 14.547 -5.746 1.00 0.00 H new ATOM 954 N GLY A 64 -5.401 12.406 -6.196 1.00 0.00 N ATOM 955 CA GLY A 64 -4.168 12.220 -6.879 1.00 0.00 C ATOM 956 C GLY A 64 -4.126 10.935 -7.642 1.00 0.00 C ATOM 957 O GLY A 64 -5.105 10.182 -7.636 1.00 0.00 O ATOM 0 H GLY A 64 -5.559 11.769 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.007 13.052 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.350 12.238 -6.158 1.00 0.00 H new ATOM 961 N PRO A 65 -2.946 10.578 -8.178 1.00 0.00 N ATOM 962 CA PRO A 65 -2.786 9.452 -9.106 1.00 0.00 C ATOM 963 C PRO A 65 -3.124 8.138 -8.449 1.00 0.00 C ATOM 964 O PRO A 65 -3.538 7.206 -9.097 1.00 0.00 O ATOM 965 CB PRO A 65 -1.302 9.487 -9.465 1.00 0.00 C ATOM 966 CG PRO A 65 -0.655 10.202 -8.337 1.00 0.00 C ATOM 967 CD PRO A 65 -1.659 11.194 -7.844 1.00 0.00 C ATOM 0 HA PRO A 65 -3.447 9.537 -9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.899 8.481 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.136 10.005 -10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.373 9.507 -7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.257 10.701 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.562 11.363 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.539 12.162 -8.331 1.00 0.00 H new ATOM 975 N ALA A 66 -2.951 8.108 -7.148 1.00 0.00 N ATOM 976 CA ALA A 66 -3.237 6.958 -6.339 1.00 0.00 C ATOM 977 C ALA A 66 -4.681 6.535 -6.498 1.00 0.00 C ATOM 978 O ALA A 66 -4.955 5.490 -7.089 1.00 0.00 O ATOM 979 CB ALA A 66 -2.907 7.230 -4.885 1.00 0.00 C ATOM 0 H ALA A 66 -2.599 8.904 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.607 6.136 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.131 6.345 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.848 7.472 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.504 8.069 -4.527 1.00 0.00 H new ATOM 985 N GLU A 67 -5.610 7.361 -6.041 1.00 0.00 N ATOM 986 CA GLU A 67 -7.011 6.977 -6.144 1.00 0.00 C ATOM 987 C GLU A 67 -7.554 7.113 -7.566 1.00 0.00 C ATOM 988 O GLU A 67 -8.559 6.479 -7.910 1.00 0.00 O ATOM 989 CB GLU A 67 -7.916 7.690 -5.163 1.00 0.00 C ATOM 990 CG GLU A 67 -7.984 9.188 -5.292 1.00 0.00 C ATOM 991 CD GLU A 67 -9.177 9.711 -4.537 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.163 9.694 -3.286 1.00 0.00 O ATOM 993 OE2 GLU A 67 -10.197 10.063 -5.185 1.00 0.00 O ATOM 0 H GLU A 67 -5.431 8.268 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.022 5.921 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.924 7.290 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.586 7.447 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.070 9.638 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.055 9.469 -6.343 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.909 7.955 -8.374 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.262 8.088 -9.787 1.00 0.00 C ATOM 1002 C ILE A 68 -7.019 6.760 -10.500 1.00 0.00 C ATOM 1003 O ILE A 68 -7.834 6.316 -11.310 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.461 9.248 -10.475 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.965 10.631 -10.010 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.451 9.153 -12.001 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.428 10.910 -10.303 1.00 0.00 C ATOM 0 H ILE A 68 -6.140 8.554 -8.074 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.319 8.345 -9.857 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.426 9.131 -10.153 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.802 10.719 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.360 11.401 -10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.880 9.985 -12.414 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.991 8.212 -12.304 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.474 9.194 -12.375 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.689 11.904 -9.940 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.600 10.860 -11.378 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.048 10.167 -9.802 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.918 6.117 -10.161 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.587 4.840 -10.737 1.00 0.00 C ATOM 1021 C ALA A 69 -6.424 3.747 -10.097 1.00 0.00 C ATOM 1022 O ALA A 69 -6.968 2.887 -10.784 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.114 4.558 -10.575 1.00 0.00 C ATOM 0 H ALA A 69 -5.238 6.465 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.811 4.863 -11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.878 3.589 -11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.537 5.335 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.860 4.546 -9.515 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.523 3.778 -8.780 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.369 2.823 -8.105 1.00 0.00 C ATOM 1031 C GLY A 70 -6.867 2.410 -6.745 1.00 0.00 C ATOM 1032 O GLY A 70 -7.485 1.589 -6.075 1.00 0.00 O ATOM 0 H GLY A 70 -6.039 4.439 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.367 3.249 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.467 1.935 -8.730 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.775 2.985 -6.325 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.187 2.654 -5.054 1.00 0.00 C ATOM 1038 C LEU A 71 -5.978 3.257 -3.933 1.00 0.00 C ATOM 1039 O LEU A 71 -6.265 4.454 -3.944 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.714 3.077 -5.032 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.874 2.735 -3.806 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.223 1.336 -3.327 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.441 2.699 -4.241 1.00 0.00 C ATOM 0 H LEU A 71 -5.267 3.695 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.216 1.574 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.229 2.631 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.678 4.158 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.052 3.465 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.623 1.091 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.280 1.294 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.017 0.618 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.808 2.457 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.314 1.941 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.157 3.673 -4.638 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.364 2.414 -3.000 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.146 2.792 -1.871 1.00 0.00 C ATOM 1057 C GLN A 72 -6.395 2.482 -0.597 1.00 0.00 C ATOM 1058 O GLN A 72 -5.418 1.723 -0.584 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.467 2.016 -1.868 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.313 2.229 -3.104 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.806 3.643 -3.227 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -10.896 3.975 -2.757 1.00 0.00 O ATOM 1063 NE2 GLN A 72 -8.996 4.488 -3.776 1.00 0.00 N ATOM 0 H GLN A 72 -6.129 1.422 -3.018 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.347 3.862 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.251 0.952 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.045 2.307 -0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.730 1.973 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.166 1.551 -3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.103 4.168 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.250 5.474 -3.833 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.813 3.115 0.442 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.311 2.853 1.773 1.00 0.00 C ATOM 1074 C ILE A 73 -6.628 1.407 2.163 1.00 0.00 C ATOM 1075 O ILE A 73 -7.771 0.955 2.034 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.956 3.803 2.815 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.671 5.263 2.467 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.464 3.484 4.210 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -7.203 6.244 3.492 1.00 0.00 C ATOM 0 H ILE A 73 -7.525 3.844 0.406 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.234 3.020 1.766 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.035 3.649 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.594 5.401 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.112 5.489 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.930 4.163 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.726 2.456 4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.381 3.602 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.965 7.261 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.284 6.134 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.743 6.044 4.460 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.628 0.691 2.606 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.832 -0.670 3.018 1.00 0.00 C ATOM 1093 C GLY A 74 -5.351 -1.652 1.996 1.00 0.00 C ATOM 1094 O GLY A 74 -5.321 -2.857 2.246 1.00 0.00 O ATOM 0 H GLY A 74 -4.669 1.027 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.311 -0.844 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.893 -0.835 3.206 1.00 0.00 H new ATOM 1098 N ASP A 75 -5.007 -1.165 0.832 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.464 -2.028 -0.181 1.00 0.00 C ATOM 1100 C ASP A 75 -3.031 -2.310 0.143 1.00 0.00 C ATOM 1101 O ASP A 75 -2.212 -1.388 0.288 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.603 -1.452 -1.587 1.00 0.00 C ATOM 1103 CG ASP A 75 -6.038 -1.298 -2.048 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.871 -2.209 -1.819 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -6.349 -0.290 -2.677 1.00 0.00 O ATOM 0 H ASP A 75 -5.092 -0.184 0.565 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.038 -2.955 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.115 -0.478 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.074 -2.098 -2.288 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.742 -3.564 0.342 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.413 -3.994 0.656 1.00 0.00 C ATOM 1112 C LYS A 76 -0.687 -4.267 -0.641 1.00 0.00 C ATOM 1113 O LYS A 76 -1.171 -5.063 -1.480 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.463 -5.228 1.569 1.00 0.00 C ATOM 1115 CG LYS A 76 -0.102 -5.761 2.009 1.00 0.00 C ATOM 1116 CD LYS A 76 -0.231 -6.911 3.013 1.00 0.00 C ATOM 1117 CE LYS A 76 -1.119 -8.040 2.492 1.00 0.00 C ATOM 1118 NZ LYS A 76 -1.175 -9.175 3.433 1.00 0.00 N ATOM 0 H LYS A 76 -3.426 -4.319 0.290 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.870 -3.222 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.044 -4.981 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.997 -6.024 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.452 -6.104 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.476 -4.953 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.760 -7.306 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.643 -6.530 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.126 -7.660 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.741 -8.385 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.787 -9.920 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.217 -9.554 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.560 -8.852 4.344 1.00 0.00 H new ATOM 1132 N ILE A 77 0.437 -3.617 -0.825 1.00 0.00 N ATOM 1133 CA ILE A 77 1.158 -3.694 -2.060 1.00 0.00 C ATOM 1134 C ILE A 77 2.118 -4.874 -2.018 1.00 0.00 C ATOM 1135 O ILE A 77 2.798 -5.098 -1.023 1.00 0.00 O ATOM 1136 CB ILE A 77 1.974 -2.403 -2.413 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.201 -1.079 -2.214 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.416 -2.481 -3.844 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.223 -0.540 -0.807 1.00 0.00 C ATOM 0 H ILE A 77 0.872 -3.022 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 77 0.402 -3.813 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 77 2.814 -2.381 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.619 -0.327 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.164 -1.231 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.985 -1.587 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.043 -3.362 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.542 -2.552 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.656 0.390 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.776 -1.269 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.253 -0.350 -0.506 1.00 0.00 H new ATOM 1151 N MET A 78 2.164 -5.621 -3.091 1.00 0.00 N ATOM 1152 CA MET A 78 3.002 -6.794 -3.180 1.00 0.00 C ATOM 1153 C MET A 78 4.173 -6.521 -4.104 1.00 0.00 C ATOM 1154 O MET A 78 5.251 -7.097 -3.960 1.00 0.00 O ATOM 1155 CB MET A 78 2.205 -7.974 -3.763 1.00 0.00 C ATOM 1156 CG MET A 78 0.886 -8.351 -3.066 1.00 0.00 C ATOM 1157 SD MET A 78 1.039 -9.272 -1.501 1.00 0.00 S ATOM 1158 CE MET A 78 1.664 -8.058 -0.350 1.00 0.00 C ATOM 0 H MET A 78 1.619 -5.434 -3.933 1.00 0.00 H new ATOM 0 HA MET A 78 3.355 -7.038 -2.178 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.982 -7.747 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.851 -8.852 -3.759 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.327 -7.436 -2.872 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.291 -8.947 -3.758 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.325 -8.303 0.657 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.754 -8.059 -0.376 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.295 -7.070 -0.627 1.00 0.00 H new ATOM 1168 N GLN A 79 3.979 -5.611 -5.012 1.00 0.00 N ATOM 1169 CA GLN A 79 4.927 -5.390 -6.073 1.00 0.00 C ATOM 1170 C GLN A 79 4.819 -3.915 -6.493 1.00 0.00 C ATOM 1171 O GLN A 79 3.721 -3.410 -6.638 1.00 0.00 O ATOM 1172 CB GLN A 79 4.522 -6.354 -7.216 1.00 0.00 C ATOM 1173 CG GLN A 79 5.559 -6.670 -8.279 1.00 0.00 C ATOM 1174 CD GLN A 79 5.863 -5.542 -9.195 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.861 -4.823 -8.883 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 5.226 -5.363 -10.222 1.00 0.00 N flip ATOM 0 H GLN A 79 3.163 -5.000 -5.042 1.00 0.00 H new ATOM 0 HA GLN A 79 5.961 -5.582 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.208 -7.295 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.649 -5.933 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.481 -6.982 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.210 -7.517 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.429 -5.962 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.491 -4.615 -10.863 1.00 0.00 H new ATOM 1185 N VAL A 80 5.945 -3.243 -6.644 1.00 0.00 N ATOM 1186 CA VAL A 80 6.002 -1.817 -7.001 1.00 0.00 C ATOM 1187 C VAL A 80 7.074 -1.586 -8.041 1.00 0.00 C ATOM 1188 O VAL A 80 8.215 -1.886 -7.788 1.00 0.00 O ATOM 1189 CB VAL A 80 6.352 -0.933 -5.755 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.694 0.511 -6.127 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.230 -0.943 -4.777 1.00 0.00 C ATOM 0 H VAL A 80 6.864 -3.668 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 80 5.020 -1.540 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 80 7.242 -1.374 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.927 1.074 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.557 0.521 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.842 0.969 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.490 -0.324 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.331 -0.547 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.046 -1.965 -4.445 1.00 0.00 H new ATOM 1201 N ASN A 81 6.677 -1.121 -9.222 1.00 0.00 N ATOM 1202 CA ASN A 81 7.601 -0.675 -10.296 1.00 0.00 C ATOM 1203 C ASN A 81 8.701 -1.722 -10.571 1.00 0.00 C ATOM 1204 O ASN A 81 9.891 -1.418 -10.628 1.00 0.00 O ATOM 1205 CB ASN A 81 8.219 0.682 -9.921 1.00 0.00 C ATOM 1206 CG ASN A 81 8.614 1.551 -11.120 1.00 0.00 C ATOM 1207 OD1 ASN A 81 7.884 1.445 -12.221 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 9.563 2.318 -11.054 1.00 0.00 N flip ATOM 0 H ASN A 81 5.693 -1.037 -9.478 1.00 0.00 H new ATOM 0 HA ASN A 81 7.027 -0.563 -11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.508 1.234 -9.306 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.103 0.508 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.109 2.381 -10.195 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.809 2.895 -11.858 1.00 0.00 H new ATOM 1215 N GLY A 82 8.268 -2.946 -10.752 1.00 0.00 N ATOM 1216 CA GLY A 82 9.171 -4.085 -10.964 1.00 0.00 C ATOM 1217 C GLY A 82 10.006 -4.527 -9.746 1.00 0.00 C ATOM 1218 O GLY A 82 10.904 -5.353 -9.878 1.00 0.00 O ATOM 0 H GLY A 82 7.279 -3.196 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.577 -4.935 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.854 -3.834 -11.775 1.00 0.00 H new ATOM 1222 N TRP A 83 9.739 -3.979 -8.602 1.00 0.00 N ATOM 1223 CA TRP A 83 10.424 -4.372 -7.379 1.00 0.00 C ATOM 1224 C TRP A 83 9.422 -5.017 -6.382 1.00 0.00 C ATOM 1225 O TRP A 83 8.205 -4.815 -6.498 1.00 0.00 O ATOM 1226 CB TRP A 83 11.207 -3.154 -6.808 1.00 0.00 C ATOM 1227 CG TRP A 83 10.803 -2.642 -5.454 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.704 -1.908 -5.148 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.546 -2.768 -4.247 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.694 -1.605 -3.809 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.821 -2.114 -3.241 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.747 -3.385 -3.917 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.259 -2.055 -1.938 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.188 -3.322 -2.618 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.449 -2.663 -1.644 1.00 0.00 C ATOM 0 H TRP A 83 9.042 -3.245 -8.474 1.00 0.00 H new ATOM 0 HA TRP A 83 11.166 -5.144 -7.583 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.262 -3.423 -6.765 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.116 -2.333 -7.519 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.946 -1.606 -5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.964 -1.085 -3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.323 -3.905 -4.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.685 -1.548 -1.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.123 -3.792 -2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.822 -2.630 -0.631 1.00 0.00 H new ATOM 1246 N ASP A 84 9.922 -5.794 -5.442 1.00 0.00 N ATOM 1247 CA ASP A 84 9.094 -6.545 -4.494 1.00 0.00 C ATOM 1248 C ASP A 84 8.751 -5.688 -3.295 1.00 0.00 C ATOM 1249 O ASP A 84 9.641 -5.129 -2.651 1.00 0.00 O ATOM 1250 CB ASP A 84 9.891 -7.736 -4.010 1.00 0.00 C ATOM 1251 CG ASP A 84 9.154 -8.682 -3.104 1.00 0.00 C ATOM 1252 OD1 ASP A 84 8.954 -8.351 -1.903 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.839 -9.811 -3.560 1.00 0.00 O ATOM 0 H ASP A 84 10.924 -5.929 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 84 8.174 -6.855 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.244 -8.293 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.774 -7.371 -3.485 1.00 0.00 H new ATOM 1258 N MET A 85 7.483 -5.593 -2.990 1.00 0.00 N ATOM 1259 CA MET A 85 7.046 -4.838 -1.837 1.00 0.00 C ATOM 1260 C MET A 85 6.348 -5.752 -0.822 1.00 0.00 C ATOM 1261 O MET A 85 6.029 -5.353 0.311 1.00 0.00 O ATOM 1262 CB MET A 85 6.169 -3.640 -2.260 1.00 0.00 C ATOM 1263 CG MET A 85 5.629 -2.834 -1.088 1.00 0.00 C ATOM 1264 SD MET A 85 5.294 -1.112 -1.461 1.00 0.00 S ATOM 1265 CE MET A 85 6.962 -0.525 -1.723 1.00 0.00 C ATOM 0 H MET A 85 6.731 -6.029 -3.523 1.00 0.00 H new ATOM 0 HA MET A 85 7.922 -4.422 -1.339 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.754 -2.982 -2.903 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.332 -4.006 -2.855 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.710 -3.302 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.347 -2.882 -0.269 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.053 0.493 -1.344 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.663 -1.173 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.189 -0.537 -2.789 1.00 0.00 H new ATOM 1275 N THR A 86 6.188 -7.000 -1.203 1.00 0.00 N ATOM 1276 CA THR A 86 5.531 -7.963 -0.348 1.00 0.00 C ATOM 1277 C THR A 86 6.394 -8.267 0.902 1.00 0.00 C ATOM 1278 O THR A 86 5.868 -8.618 1.964 1.00 0.00 O ATOM 1279 CB THR A 86 5.094 -9.255 -1.137 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.428 -10.211 -0.300 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.255 -9.920 -1.822 1.00 0.00 C ATOM 0 H THR A 86 6.504 -7.372 -2.099 1.00 0.00 H new ATOM 0 HA THR A 86 4.603 -7.520 0.013 1.00 0.00 H new ATOM 0 HB THR A 86 4.390 -8.908 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.175 -10.993 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.906 -10.806 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.705 -9.226 -2.532 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.997 -10.212 -1.079 1.00 0.00 H new ATOM 1289 N MET A 87 7.704 -8.081 0.785 1.00 0.00 N ATOM 1290 CA MET A 87 8.596 -8.232 1.924 1.00 0.00 C ATOM 1291 C MET A 87 9.618 -7.082 1.965 1.00 0.00 C ATOM 1292 O MET A 87 10.720 -7.192 1.416 1.00 0.00 O ATOM 1293 CB MET A 87 9.305 -9.603 1.898 1.00 0.00 C ATOM 1294 CG MET A 87 10.270 -9.845 3.059 1.00 0.00 C ATOM 1295 SD MET A 87 11.154 -11.412 2.913 1.00 0.00 S ATOM 1296 CE MET A 87 12.207 -11.340 4.364 1.00 0.00 C ATOM 0 H MET A 87 8.169 -7.826 -0.086 1.00 0.00 H new ATOM 0 HA MET A 87 7.996 -8.188 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.549 -10.388 1.902 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.855 -9.695 0.961 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.991 -9.028 3.104 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.715 -9.832 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.818 -12.241 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.855 -10.466 4.300 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.589 -11.269 5.259 1.00 0.00 H new ATOM 1306 N VAL A 88 9.241 -5.964 2.567 1.00 0.00 N ATOM 1307 CA VAL A 88 10.129 -4.817 2.668 1.00 0.00 C ATOM 1308 C VAL A 88 9.739 -3.971 3.867 1.00 0.00 C ATOM 1309 O VAL A 88 8.560 -3.970 4.293 1.00 0.00 O ATOM 1310 CB VAL A 88 10.125 -3.954 1.367 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.754 -3.386 1.076 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.160 -2.848 1.453 1.00 0.00 C ATOM 0 H VAL A 88 8.325 -5.827 2.993 1.00 0.00 H new ATOM 0 HA VAL A 88 11.144 -5.192 2.800 1.00 0.00 H new ATOM 0 HB VAL A 88 10.389 -4.610 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.793 -2.792 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.042 -4.201 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.438 -2.755 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.140 -2.259 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.935 -2.204 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.150 -3.285 1.582 1.00 0.00 H new ATOM 1322 N THR A 89 10.719 -3.335 4.471 1.00 0.00 N ATOM 1323 CA THR A 89 10.498 -2.488 5.588 1.00 0.00 C ATOM 1324 C THR A 89 9.846 -1.209 5.157 1.00 0.00 C ATOM 1325 O THR A 89 9.930 -0.824 3.997 1.00 0.00 O ATOM 1326 CB THR A 89 11.815 -2.171 6.326 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.842 -1.876 5.382 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.237 -3.312 7.219 1.00 0.00 C ATOM 0 H THR A 89 11.696 -3.402 4.186 1.00 0.00 H new ATOM 0 HA THR A 89 9.838 -3.019 6.273 1.00 0.00 H new ATOM 0 HB THR A 89 11.646 -1.300 6.959 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.591 -2.495 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.168 -3.054 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.462 -3.498 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.386 -4.209 6.618 1.00 0.00 H new ATOM 1336 N HIS A 90 9.173 -0.578 6.088 1.00 0.00 N ATOM 1337 CA HIS A 90 8.564 0.728 5.867 1.00 0.00 C ATOM 1338 C HIS A 90 9.631 1.680 5.394 1.00 0.00 C ATOM 1339 O HIS A 90 9.472 2.352 4.389 1.00 0.00 O ATOM 1340 CB HIS A 90 7.975 1.238 7.188 1.00 0.00 C ATOM 1341 CG HIS A 90 7.254 2.564 7.135 1.00 0.00 C ATOM 1342 ND1 HIS A 90 5.907 2.702 7.331 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.716 3.809 6.886 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.590 3.978 7.177 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.654 4.705 6.911 1.00 0.00 N ATOM 0 H HIS A 90 9.027 -0.950 7.026 1.00 0.00 H new ATOM 0 HA HIS A 90 7.772 0.655 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.281 0.487 7.565 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.784 1.318 7.914 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.748 4.067 6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.588 4.371 7.259 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.691 5.712 6.756 1.00 0.00 H new ATOM 1353 N ASP A 91 10.734 1.647 6.103 1.00 0.00 N ATOM 1354 CA ASP A 91 11.858 2.524 5.885 1.00 0.00 C ATOM 1355 C ASP A 91 12.402 2.381 4.486 1.00 0.00 C ATOM 1356 O ASP A 91 12.594 3.374 3.781 1.00 0.00 O ATOM 1357 CB ASP A 91 12.930 2.195 6.892 1.00 0.00 C ATOM 1358 CG ASP A 91 14.131 3.105 6.802 1.00 0.00 C ATOM 1359 OD1 ASP A 91 13.977 4.339 6.852 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.249 2.593 6.657 1.00 0.00 O ATOM 0 H ASP A 91 10.878 0.990 6.870 1.00 0.00 H new ATOM 0 HA ASP A 91 11.530 3.556 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.509 2.259 7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.252 1.164 6.746 1.00 0.00 H new ATOM 1365 N GLN A 92 12.594 1.144 4.068 1.00 0.00 N ATOM 1366 CA GLN A 92 13.119 0.858 2.737 1.00 0.00 C ATOM 1367 C GLN A 92 12.104 1.139 1.649 1.00 0.00 C ATOM 1368 O GLN A 92 12.447 1.689 0.602 1.00 0.00 O ATOM 1369 CB GLN A 92 13.673 -0.568 2.629 1.00 0.00 C ATOM 1370 CG GLN A 92 15.200 -0.638 2.740 1.00 0.00 C ATOM 1371 CD GLN A 92 15.768 -0.098 4.052 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.861 0.472 4.074 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.094 -0.317 5.142 1.00 0.00 N ATOM 0 H GLN A 92 12.395 0.316 4.629 1.00 0.00 H new ATOM 0 HA GLN A 92 13.954 1.542 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.231 -1.182 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.365 -0.998 1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.512 -1.676 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.637 -0.079 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.192 -0.791 5.097 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.467 -0.015 6.042 1.00 0.00 H new ATOM 1382 N ALA A 93 10.852 0.804 1.911 1.00 0.00 N ATOM 1383 CA ALA A 93 9.785 1.039 0.961 1.00 0.00 C ATOM 1384 C ALA A 93 9.624 2.514 0.711 1.00 0.00 C ATOM 1385 O ALA A 93 9.484 2.943 -0.432 1.00 0.00 O ATOM 1386 CB ALA A 93 8.489 0.448 1.460 1.00 0.00 C ATOM 0 H ALA A 93 10.551 0.365 2.781 1.00 0.00 H new ATOM 0 HA ALA A 93 10.047 0.551 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.700 0.635 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.608 -0.627 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.222 0.908 2.411 1.00 0.00 H new ATOM 1392 N ARG A 94 9.705 3.295 1.778 1.00 0.00 N ATOM 1393 CA ARG A 94 9.569 4.750 1.711 1.00 0.00 C ATOM 1394 C ARG A 94 10.604 5.383 0.779 1.00 0.00 C ATOM 1395 O ARG A 94 10.369 6.410 0.174 1.00 0.00 O ATOM 1396 CB ARG A 94 9.699 5.378 3.102 1.00 0.00 C ATOM 1397 CG ARG A 94 8.480 5.267 3.976 1.00 0.00 C ATOM 1398 CD ARG A 94 7.362 6.135 3.468 1.00 0.00 C ATOM 1399 NE ARG A 94 7.699 7.563 3.561 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.862 8.570 3.271 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.563 8.348 3.121 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.314 9.809 3.202 1.00 0.00 N ATOM 0 H ARG A 94 9.867 2.940 2.720 1.00 0.00 H new ATOM 0 HA ARG A 94 8.575 4.949 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.538 4.910 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.946 6.433 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.149 4.229 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.734 5.557 4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.144 5.879 2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.457 5.936 4.042 1.00 0.00 H new ATOM 0 HE ARG A 94 8.640 7.806 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.191 7.404 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.936 9.121 2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.302 10.002 3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.676 10.573 2.981 1.00 0.00 H new ATOM 1416 N LYS A 95 11.699 4.735 0.611 1.00 0.00 N ATOM 1417 CA LYS A 95 12.772 5.285 -0.171 1.00 0.00 C ATOM 1418 C LYS A 95 12.664 4.762 -1.578 1.00 0.00 C ATOM 1419 O LYS A 95 13.552 4.988 -2.390 1.00 0.00 O ATOM 1420 CB LYS A 95 14.144 4.873 0.392 1.00 0.00 C ATOM 1421 CG LYS A 95 14.342 5.053 1.894 1.00 0.00 C ATOM 1422 CD LYS A 95 14.231 6.496 2.358 1.00 0.00 C ATOM 1423 CE LYS A 95 14.506 6.595 3.863 1.00 0.00 C ATOM 1424 NZ LYS A 95 13.496 5.869 4.688 1.00 0.00 N ATOM 0 H LYS A 95 11.887 3.813 1.005 1.00 0.00 H new ATOM 0 HA LYS A 95 12.693 6.372 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.312 3.824 0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.912 5.448 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.602 4.453 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.323 4.666 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.940 7.117 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.235 6.880 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.497 6.192 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.520 7.645 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.897 5.662 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.648 6.460 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.238 4.978 4.217 1.00 0.00 H new ATOM 1438 N ARG A 96 11.581 4.075 -1.889 1.00 0.00 N ATOM 1439 CA ARG A 96 11.498 3.499 -3.183 1.00 0.00 C ATOM 1440 C ARG A 96 10.141 3.680 -3.814 1.00 0.00 C ATOM 1441 O ARG A 96 10.046 3.782 -5.019 1.00 0.00 O ATOM 1442 CB ARG A 96 11.998 2.049 -3.231 1.00 0.00 C ATOM 1443 CG ARG A 96 12.317 1.579 -4.655 1.00 0.00 C ATOM 1444 CD ARG A 96 13.136 0.305 -4.670 1.00 0.00 C ATOM 1445 NE ARG A 96 14.401 0.455 -3.925 1.00 0.00 N ATOM 1446 CZ ARG A 96 15.324 -0.499 -3.777 1.00 0.00 C ATOM 1447 NH1 ARG A 96 15.307 -1.573 -4.558 1.00 0.00 N ATOM 1448 NH2 ARG A 96 16.304 -0.338 -2.900 1.00 0.00 N ATOM 0 H ARG A 96 10.782 3.915 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 96 12.193 4.063 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.892 1.957 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.242 1.394 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.386 1.416 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.860 2.364 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.553 -0.507 -4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.353 0.025 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 96 14.585 1.358 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.587 -1.672 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.014 -2.299 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.352 0.513 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.010 -1.065 -2.785 1.00 0.00 H new ATOM 1462 N LEU A 97 9.075 3.729 -3.030 1.00 0.00 N ATOM 1463 CA LEU A 97 7.823 4.015 -3.665 1.00 0.00 C ATOM 1464 C LEU A 97 7.520 5.521 -3.639 1.00 0.00 C ATOM 1465 O LEU A 97 7.144 6.083 -4.618 1.00 0.00 O ATOM 1466 CB LEU A 97 6.669 3.163 -3.106 1.00 0.00 C ATOM 1467 CG LEU A 97 5.839 3.676 -1.920 1.00 0.00 C ATOM 1468 CD1 LEU A 97 4.726 2.712 -1.670 1.00 0.00 C ATOM 1469 CD2 LEU A 97 6.648 3.817 -0.652 1.00 0.00 C ATOM 0 H LEU A 97 9.056 3.584 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 97 7.916 3.726 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.978 2.975 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.089 2.200 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 97 5.469 4.667 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.125 3.060 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.100 2.641 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.140 1.731 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.007 4.183 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.060 2.847 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.462 4.523 -0.816 1.00 0.00 H new ATOM 1481 N THR A 98 7.807 6.175 -2.537 1.00 0.00 N ATOM 1482 CA THR A 98 7.447 7.580 -2.392 1.00 0.00 C ATOM 1483 C THR A 98 8.681 8.443 -2.609 1.00 0.00 C ATOM 1484 O THR A 98 8.719 9.628 -2.258 1.00 0.00 O ATOM 1485 CB THR A 98 6.756 7.856 -1.008 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.346 9.217 -0.880 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.660 7.520 0.127 1.00 0.00 C ATOM 0 H THR A 98 8.283 5.769 -1.732 1.00 0.00 H new ATOM 0 HA THR A 98 6.711 7.843 -3.152 1.00 0.00 H new ATOM 0 HB THR A 98 5.875 7.215 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.034 9.803 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.151 7.723 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.928 6.465 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.563 8.127 0.065 1.00 0.00 H new ATOM 1495 N LYS A 99 9.700 7.812 -3.167 1.00 0.00 N ATOM 1496 CA LYS A 99 10.887 8.489 -3.637 1.00 0.00 C ATOM 1497 C LYS A 99 10.535 9.399 -4.841 1.00 0.00 C ATOM 1498 O LYS A 99 9.384 9.480 -5.256 1.00 0.00 O ATOM 1499 CB LYS A 99 11.900 7.467 -4.098 1.00 0.00 C ATOM 1500 CG LYS A 99 11.354 6.578 -5.187 1.00 0.00 C ATOM 1501 CD LYS A 99 12.421 6.185 -6.175 1.00 0.00 C ATOM 1502 CE LYS A 99 13.468 5.291 -5.579 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.565 5.054 -6.530 1.00 0.00 N ATOM 0 H LYS A 99 9.722 6.802 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 99 11.294 9.089 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.791 7.979 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.208 6.854 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.922 5.681 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.548 7.095 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.957 5.678 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.898 7.085 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.862 5.744 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.019 4.340 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.044 4.162 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.181 4.994 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.246 5.838 -6.477 1.00 0.00 H new ATOM 1517 N ARG A 100 11.533 10.022 -5.430 1.00 0.00 N ATOM 1518 CA ARG A 100 11.286 10.959 -6.523 1.00 0.00 C ATOM 1519 C ARG A 100 12.017 10.573 -7.819 1.00 0.00 C ATOM 1520 O ARG A 100 11.859 11.241 -8.837 1.00 0.00 O ATOM 1521 CB ARG A 100 11.711 12.364 -6.099 1.00 0.00 C ATOM 1522 CG ARG A 100 13.154 12.424 -5.639 1.00 0.00 C ATOM 1523 CD ARG A 100 13.633 13.838 -5.420 1.00 0.00 C ATOM 1524 NE ARG A 100 15.071 13.875 -5.128 1.00 0.00 N ATOM 1525 CZ ARG A 100 15.747 14.937 -4.666 1.00 0.00 C ATOM 1526 NH1 ARG A 100 15.101 16.058 -4.343 1.00 0.00 N ATOM 1527 NH2 ARG A 100 17.072 14.863 -4.512 1.00 0.00 N ATOM 0 H ARG A 100 12.515 9.904 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 100 10.217 10.928 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.572 13.049 -6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.062 12.708 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.260 11.860 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.789 11.940 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.424 14.436 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.081 14.288 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 100 15.602 13.019 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.088 16.111 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.620 16.863 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.565 14.001 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.590 15.668 -4.161 1.00 0.00 H new ATOM 1541 N SER A 101 12.814 9.522 -7.767 1.00 0.00 N ATOM 1542 CA SER A 101 13.619 9.096 -8.907 1.00 0.00 C ATOM 1543 C SER A 101 12.756 8.585 -10.048 1.00 0.00 C ATOM 1544 O SER A 101 13.024 8.861 -11.217 1.00 0.00 O ATOM 1545 CB SER A 101 14.609 8.010 -8.476 1.00 0.00 C ATOM 1546 OG SER A 101 15.474 7.629 -9.531 1.00 0.00 O ATOM 0 H SER A 101 12.925 8.938 -6.938 1.00 0.00 H new ATOM 0 HA SER A 101 14.166 9.967 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.201 8.372 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.059 7.137 -8.126 1.00 0.00 H new ATOM 0 HG SER A 101 15.003 7.018 -10.136 1.00 0.00 H new ATOM 1552 N GLU A 102 11.738 7.854 -9.709 1.00 0.00 N ATOM 1553 CA GLU A 102 10.866 7.261 -10.693 1.00 0.00 C ATOM 1554 C GLU A 102 9.596 8.083 -10.822 1.00 0.00 C ATOM 1555 O GLU A 102 9.429 9.072 -10.101 1.00 0.00 O ATOM 1556 CB GLU A 102 10.569 5.789 -10.350 1.00 0.00 C ATOM 1557 CG GLU A 102 11.711 4.792 -10.661 1.00 0.00 C ATOM 1558 CD GLU A 102 13.034 5.078 -9.974 1.00 0.00 C ATOM 1559 OE1 GLU A 102 13.209 4.706 -8.806 1.00 0.00 O ATOM 1560 OE2 GLU A 102 13.941 5.663 -10.610 1.00 0.00 O ATOM 0 H GLU A 102 11.483 7.648 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 102 11.367 7.265 -11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.330 5.722 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.679 5.478 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.383 3.792 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.876 4.780 -11.738 1.00 0.00 H new ATOM 1567 N GLU A 103 8.732 7.721 -11.751 1.00 0.00 N ATOM 1568 CA GLU A 103 7.499 8.457 -11.948 1.00 0.00 C ATOM 1569 C GLU A 103 6.284 7.563 -12.103 1.00 0.00 C ATOM 1570 O GLU A 103 5.353 7.634 -11.317 1.00 0.00 O ATOM 1571 CB GLU A 103 7.602 9.469 -13.098 1.00 0.00 C ATOM 1572 CG GLU A 103 8.158 8.970 -14.414 1.00 0.00 C ATOM 1573 CD GLU A 103 8.115 10.050 -15.458 1.00 0.00 C ATOM 1574 OE1 GLU A 103 8.949 10.963 -15.417 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.206 10.035 -16.319 1.00 0.00 O ATOM 0 H GLU A 103 8.860 6.926 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 103 7.349 9.021 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.606 9.871 -13.283 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.224 10.299 -12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.185 8.634 -14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.583 8.108 -14.753 1.00 0.00 H new ATOM 1582 N VAL A 104 6.276 6.756 -13.124 1.00 0.00 N ATOM 1583 CA VAL A 104 5.167 5.869 -13.346 1.00 0.00 C ATOM 1584 C VAL A 104 5.472 4.547 -12.741 1.00 0.00 C ATOM 1585 O VAL A 104 6.366 3.821 -13.199 1.00 0.00 O ATOM 1586 CB VAL A 104 4.818 5.655 -14.823 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.537 4.862 -14.944 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.740 6.960 -15.566 1.00 0.00 C ATOM 0 H VAL A 104 7.023 6.692 -13.816 1.00 0.00 H new ATOM 0 HA VAL A 104 4.303 6.345 -12.882 1.00 0.00 H new ATOM 0 HB VAL A 104 5.619 5.079 -15.287 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.298 4.715 -15.997 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.662 3.892 -14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.726 5.405 -14.460 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.491 6.770 -16.610 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.970 7.588 -15.118 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.702 7.469 -15.510 1.00 0.00 H new ATOM 1598 N VAL A 105 4.758 4.229 -11.740 1.00 0.00 N ATOM 1599 CA VAL A 105 4.972 3.020 -11.040 1.00 0.00 C ATOM 1600 C VAL A 105 3.830 2.044 -11.267 1.00 0.00 C ATOM 1601 O VAL A 105 2.649 2.403 -11.189 1.00 0.00 O ATOM 1602 CB VAL A 105 5.194 3.266 -9.535 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.495 4.031 -9.301 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.033 4.040 -8.948 1.00 0.00 C ATOM 0 H VAL A 105 3.998 4.802 -11.374 1.00 0.00 H new ATOM 0 HA VAL A 105 5.883 2.573 -11.438 1.00 0.00 H new ATOM 0 HB VAL A 105 5.261 2.297 -9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.634 4.195 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.332 3.453 -9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.449 4.992 -9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.206 4.205 -7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.943 5.001 -9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.112 3.472 -9.082 1.00 0.00 H new ATOM 1614 N ARG A 106 4.188 0.838 -11.582 1.00 0.00 N ATOM 1615 CA ARG A 106 3.240 -0.221 -11.782 1.00 0.00 C ATOM 1616 C ARG A 106 3.220 -1.028 -10.520 1.00 0.00 C ATOM 1617 O ARG A 106 4.192 -1.697 -10.183 1.00 0.00 O ATOM 1618 CB ARG A 106 3.647 -1.077 -12.975 1.00 0.00 C ATOM 1619 CG ARG A 106 3.665 -0.308 -14.287 1.00 0.00 C ATOM 1620 CD ARG A 106 4.249 -1.133 -15.423 1.00 0.00 C ATOM 1621 NE ARG A 106 3.569 -2.415 -15.599 1.00 0.00 N ATOM 1622 CZ ARG A 106 4.119 -3.496 -16.164 1.00 0.00 C ATOM 1623 NH1 ARG A 106 5.342 -3.430 -16.682 1.00 0.00 N ATOM 1624 NH2 ARG A 106 3.443 -4.636 -16.205 1.00 0.00 N ATOM 0 H ARG A 106 5.159 0.555 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 106 2.247 0.173 -11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.637 -1.495 -12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.958 -1.917 -13.063 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.650 -0.005 -14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.249 0.604 -14.164 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.186 -0.563 -16.350 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.307 -1.311 -15.230 1.00 0.00 H new ATOM 0 HE ARG A 106 2.607 -2.491 -15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.863 -2.554 -16.649 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.759 -4.256 -17.112 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.506 -4.688 -15.806 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.860 -5.461 -16.635 1.00 0.00 H new ATOM 1638 N LEU A 107 2.176 -0.897 -9.794 1.00 0.00 N ATOM 1639 CA LEU A 107 2.065 -1.505 -8.510 1.00 0.00 C ATOM 1640 C LEU A 107 1.081 -2.635 -8.586 1.00 0.00 C ATOM 1641 O LEU A 107 0.178 -2.613 -9.401 1.00 0.00 O ATOM 1642 CB LEU A 107 1.503 -0.496 -7.523 1.00 0.00 C ATOM 1643 CG LEU A 107 2.036 0.928 -7.596 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.343 1.783 -6.574 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.514 0.968 -7.376 1.00 0.00 C ATOM 0 H LEU A 107 1.357 -0.357 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 107 3.048 -1.855 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.422 -0.458 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.685 -0.872 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 107 1.834 1.315 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.728 2.801 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.271 1.789 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.526 1.380 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.863 1.999 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.746 0.562 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.012 0.373 -8.141 1.00 0.00 H new ATOM 1657 N LEU A 108 1.258 -3.601 -7.767 1.00 0.00 N ATOM 1658 CA LEU A 108 0.310 -4.657 -7.623 1.00 0.00 C ATOM 1659 C LEU A 108 -0.139 -4.727 -6.205 1.00 0.00 C ATOM 1660 O LEU A 108 0.669 -4.947 -5.293 1.00 0.00 O ATOM 1661 CB LEU A 108 0.858 -5.991 -8.074 1.00 0.00 C ATOM 1662 CG LEU A 108 0.342 -6.487 -9.410 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.962 -5.714 -10.569 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.565 -7.972 -9.549 1.00 0.00 C ATOM 0 H LEU A 108 2.076 -3.689 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.539 -4.435 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.944 -5.919 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.624 -6.736 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.732 -6.306 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.570 -6.095 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.715 -4.657 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.045 -5.837 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.188 -8.308 -10.515 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.631 -8.188 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.038 -8.495 -8.752 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.405 -4.528 -6.009 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.966 -4.507 -4.684 1.00 0.00 C ATOM 1678 C VAL A 109 -2.964 -5.599 -4.507 1.00 0.00 C ATOM 1679 O VAL A 109 -3.413 -6.211 -5.473 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.628 -3.160 -4.291 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.652 -2.021 -4.350 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.865 -2.859 -5.115 1.00 0.00 C ATOM 0 H VAL A 109 -2.081 -4.375 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.113 -4.653 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.951 -3.270 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.155 -1.096 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.829 -2.211 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.263 -1.928 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.289 -1.906 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.595 -2.805 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.601 -3.650 -4.969 1.00 0.00 H new ATOM 1692 N THR A 110 -3.295 -5.842 -3.292 1.00 0.00 N ATOM 1693 CA THR A 110 -4.261 -6.808 -2.954 1.00 0.00 C ATOM 1694 C THR A 110 -5.445 -6.150 -2.254 1.00 0.00 C ATOM 1695 O THR A 110 -5.283 -5.452 -1.246 1.00 0.00 O ATOM 1696 CB THR A 110 -3.650 -7.903 -2.062 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.929 -7.311 -0.962 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.716 -8.774 -2.854 1.00 0.00 C ATOM 0 H THR A 110 -2.889 -5.361 -2.489 1.00 0.00 H new ATOM 0 HA THR A 110 -4.614 -7.276 -3.873 1.00 0.00 H new ATOM 0 HB THR A 110 -4.466 -8.514 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.275 -6.668 -1.308 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.295 -9.541 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.264 -9.248 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.911 -8.165 -3.265 1.00 0.00 H new