USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=13 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 88 HIS :FLIP no HD1:sc= -0.632 F(o=-0.68,f=0.41) USER MOD Set 1.2: A 92 SER OG : rot 173:sc= 1.05 USER MOD Single : A 12 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.6) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00133 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0309 F(o=-0.68,f=-0.031) USER MOD Single : A 77 ASN : amide:sc= -0.745 K(o=-0.74,f=-3.8!) USER MOD Single : A 78 TYR OH : rot 22:sc= 0.308 USER MOD Single : A 81 SER OG : rot 35:sc= -3.71! USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0633) USER MOD Single : A 85 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.8!) USER MOD Single : A 94 TYR OH : rot 165:sc= -2.08 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.349 17.151 1.148 1.00 0.00 N ATOM 89 CA GLY A 10 -2.407 16.343 1.899 1.00 0.00 C ATOM 90 C GLY A 10 -2.633 14.856 1.706 1.00 0.00 C ATOM 91 O GLY A 10 -2.500 14.341 0.597 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.392 16.596 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.490 16.585 2.959 1.00 0.00 H new ATOM 95 N ALA A 11 -2.975 14.166 2.789 1.00 0.00 N ATOM 96 CA ALA A 11 -3.221 12.730 2.733 1.00 0.00 C ATOM 97 C ALA A 11 -4.530 12.425 2.013 1.00 0.00 C ATOM 98 O ALA A 11 -4.546 11.715 1.007 1.00 0.00 O ATOM 99 CB ALA A 11 -3.239 12.143 4.136 1.00 0.00 C ATOM 0 H ALA A 11 -3.088 14.578 3.715 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.410 12.269 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.424 11.070 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.277 12.321 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.029 12.617 4.719 1.00 0.00 H new ATOM 105 N HIS A 12 -5.627 12.966 2.534 1.00 0.00 N ATOM 106 CA HIS A 12 -6.942 12.750 1.939 1.00 0.00 C ATOM 107 C HIS A 12 -6.880 12.886 0.421 1.00 0.00 C ATOM 108 O HIS A 12 -7.716 12.335 -0.296 1.00 0.00 O ATOM 109 CB HIS A 12 -7.952 13.746 2.512 1.00 0.00 C ATOM 110 CG HIS A 12 -7.619 15.175 2.215 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.365 15.713 2.416 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.384 16.179 1.727 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.374 16.987 2.067 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.587 17.295 1.645 1.00 0.00 N ATOM 0 H HIS A 12 -5.632 13.556 3.366 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.263 11.737 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.940 13.521 2.110 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.009 13.612 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.427 16.115 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.532 17.662 2.118 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.884 18.212 1.312 1.00 0.00 H new ATOM 122 N LYS A 13 -5.887 13.622 -0.063 1.00 0.00 N ATOM 123 CA LYS A 13 -5.715 13.830 -1.495 1.00 0.00 C ATOM 124 C LYS A 13 -4.633 12.910 -2.053 1.00 0.00 C ATOM 125 O LYS A 13 -3.853 13.307 -2.919 1.00 0.00 O ATOM 126 CB LYS A 13 -5.355 15.290 -1.780 1.00 0.00 C ATOM 127 CG LYS A 13 -6.442 16.273 -1.384 1.00 0.00 C ATOM 128 CD LYS A 13 -7.496 16.407 -2.469 1.00 0.00 C ATOM 129 CE LYS A 13 -8.572 15.340 -2.337 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.883 15.804 -2.871 1.00 0.00 N ATOM 0 H LYS A 13 -5.187 14.086 0.517 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.658 13.592 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.438 15.540 -1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.145 15.403 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.912 15.943 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.997 17.248 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.953 17.395 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.023 16.329 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.260 14.442 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.684 15.065 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.589 15.048 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.194 16.646 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.783 16.042 -3.878 1.00 0.00 H new ATOM 144 N VAL A 14 -4.594 11.680 -1.552 1.00 0.00 N ATOM 145 CA VAL A 14 -3.609 10.703 -2.002 1.00 0.00 C ATOM 146 C VAL A 14 -4.207 9.301 -2.045 1.00 0.00 C ATOM 147 O VAL A 14 -4.995 8.925 -1.178 1.00 0.00 O ATOM 148 CB VAL A 14 -2.369 10.694 -1.089 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.541 9.439 -1.325 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.533 11.945 -1.314 1.00 0.00 C ATOM 0 H VAL A 14 -5.232 11.336 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.307 10.997 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.703 10.690 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.669 9.450 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.146 8.558 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.215 9.409 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.661 11.922 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.207 11.983 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.132 12.828 -1.089 1.00 0.00 H new ATOM 160 N ARG A 15 -3.824 8.531 -3.057 1.00 0.00 N ATOM 161 CA ARG A 15 -4.322 7.170 -3.214 1.00 0.00 C ATOM 162 C ARG A 15 -3.190 6.214 -3.580 1.00 0.00 C ATOM 163 O ARG A 15 -2.114 6.642 -3.998 1.00 0.00 O ATOM 164 CB ARG A 15 -5.410 7.122 -4.288 1.00 0.00 C ATOM 165 CG ARG A 15 -4.886 7.346 -5.696 1.00 0.00 C ATOM 166 CD ARG A 15 -4.571 8.813 -5.946 1.00 0.00 C ATOM 167 NE ARG A 15 -4.750 9.179 -7.349 1.00 0.00 N ATOM 168 CZ ARG A 15 -5.935 9.414 -7.902 1.00 0.00 C ATOM 169 NH1 ARG A 15 -7.040 9.320 -7.175 1.00 0.00 N ATOM 170 NH2 ARG A 15 -6.016 9.742 -9.185 1.00 0.00 N ATOM 0 H ARG A 15 -3.170 8.826 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.747 6.855 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.909 6.154 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.162 7.878 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.988 6.748 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.626 7.003 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.216 9.434 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.544 9.020 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.920 9.258 -7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.982 9.067 -6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.948 9.501 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.168 9.814 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.926 9.922 -9.609 1.00 0.00 H new ATOM 184 N ALA A 16 -3.439 4.920 -3.417 1.00 0.00 N ATOM 185 CA ALA A 16 -2.441 3.904 -3.732 1.00 0.00 C ATOM 186 C ALA A 16 -2.812 3.145 -5.001 1.00 0.00 C ATOM 187 O ALA A 16 -3.925 3.270 -5.508 1.00 0.00 O ATOM 188 CB ALA A 16 -2.282 2.941 -2.565 1.00 0.00 C ATOM 0 H ALA A 16 -4.323 4.549 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.489 4.406 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.534 2.188 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.962 3.491 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.235 2.453 -2.364 1.00 0.00 H new ATOM 222 N GLY A 20 -2.358 -5.819 -6.557 1.00 0.00 N ATOM 223 CA GLY A 20 -1.335 -6.101 -5.567 1.00 0.00 C ATOM 224 C GLY A 20 -1.838 -5.923 -4.147 1.00 0.00 C ATOM 225 O GLY A 20 -1.534 -6.731 -3.268 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.979 -7.123 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.482 -5.443 -5.732 1.00 0.00 H new ATOM 229 N LEU A 21 -2.608 -4.865 -3.922 1.00 0.00 N ATOM 230 CA LEU A 21 -3.154 -4.583 -2.599 1.00 0.00 C ATOM 231 C LEU A 21 -4.390 -5.433 -2.326 1.00 0.00 C ATOM 232 O LEU A 21 -4.586 -5.923 -1.215 1.00 0.00 O ATOM 233 CB LEU A 21 -3.503 -3.099 -2.475 1.00 0.00 C ATOM 234 CG LEU A 21 -2.333 -2.122 -2.593 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.841 -0.710 -2.841 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.470 -2.169 -1.340 1.00 0.00 C ATOM 0 H LEU A 21 -2.869 -4.188 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.394 -4.834 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.235 -2.853 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.988 -2.940 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.719 -2.420 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.995 -0.028 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.416 -0.687 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.477 -0.401 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.642 -1.467 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.072 -1.897 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.077 -3.177 -1.207 1.00 0.00 H new ATOM 248 N GLU A 22 -5.220 -5.606 -3.351 1.00 0.00 N ATOM 249 CA GLU A 22 -6.437 -6.399 -3.222 1.00 0.00 C ATOM 250 C GLU A 22 -6.133 -7.768 -2.620 1.00 0.00 C ATOM 251 O GLU A 22 -6.702 -8.149 -1.597 1.00 0.00 O ATOM 252 CB GLU A 22 -7.111 -6.567 -4.585 1.00 0.00 C ATOM 253 CG GLU A 22 -7.387 -5.251 -5.293 1.00 0.00 C ATOM 254 CD GLU A 22 -8.750 -4.680 -4.952 1.00 0.00 C ATOM 255 OE1 GLU A 22 -9.039 -4.512 -3.749 1.00 0.00 O ATOM 256 OE2 GLU A 22 -9.528 -4.402 -5.889 1.00 0.00 O ATOM 0 H GLU A 22 -5.072 -5.208 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.115 -5.869 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.478 -7.186 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.051 -7.103 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.617 -4.529 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.319 -5.401 -6.370 1.00 0.00 H new ATOM 263 N ARG A 23 -5.233 -8.503 -3.264 1.00 0.00 N ATOM 264 CA ARG A 23 -4.854 -9.831 -2.795 1.00 0.00 C ATOM 265 C ARG A 23 -3.362 -10.075 -3.001 1.00 0.00 C ATOM 266 O ARG A 23 -2.761 -9.552 -3.938 1.00 0.00 O ATOM 267 CB ARG A 23 -5.664 -10.903 -3.526 1.00 0.00 C ATOM 268 CG ARG A 23 -5.878 -12.167 -2.709 1.00 0.00 C ATOM 269 CD ARG A 23 -4.753 -13.167 -2.923 1.00 0.00 C ATOM 270 NE ARG A 23 -4.987 -14.013 -4.090 1.00 0.00 N ATOM 271 CZ ARG A 23 -5.789 -15.071 -4.082 1.00 0.00 C ATOM 272 NH1 ARG A 23 -6.432 -15.411 -2.974 1.00 0.00 N ATOM 273 NH2 ARG A 23 -5.951 -15.791 -5.185 1.00 0.00 N ATOM 0 H ARG A 23 -4.752 -8.202 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.069 -9.888 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.634 -10.489 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.154 -11.162 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.942 -11.911 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.829 -12.623 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.811 -12.632 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.651 -13.793 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.508 -13.778 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.311 -14.859 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.048 -16.224 -2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.459 -15.532 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.567 -16.604 -5.178 1.00 0.00 H new ATOM 287 N GLY A 24 -2.772 -10.875 -2.119 1.00 0.00 N ATOM 288 CA GLY A 24 -1.355 -11.174 -2.221 1.00 0.00 C ATOM 289 C GLY A 24 -1.076 -12.664 -2.226 1.00 0.00 C ATOM 290 O GLY A 24 -1.984 -13.473 -2.039 1.00 0.00 O ATOM 0 H GLY A 24 -3.249 -11.321 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.958 -10.730 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.828 -10.712 -1.386 1.00 0.00 H new ATOM 294 N GLU A 25 0.184 -13.029 -2.443 1.00 0.00 N ATOM 295 CA GLU A 25 0.578 -14.432 -2.474 1.00 0.00 C ATOM 296 C GLU A 25 1.871 -14.651 -1.694 1.00 0.00 C ATOM 297 O GLU A 25 2.757 -13.798 -1.688 1.00 0.00 O ATOM 298 CB GLU A 25 0.756 -14.902 -3.919 1.00 0.00 C ATOM 299 CG GLU A 25 -0.545 -15.310 -4.591 1.00 0.00 C ATOM 300 CD GLU A 25 -1.227 -14.152 -5.291 1.00 0.00 C ATOM 301 OE1 GLU A 25 -1.056 -13.001 -4.839 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.933 -14.397 -6.293 1.00 0.00 O ATOM 0 H GLU A 25 0.949 -12.372 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.213 -15.016 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.219 -14.103 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.444 -15.747 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.344 -16.100 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.220 -15.727 -3.844 1.00 0.00 H new ATOM 309 N ALA A 26 1.971 -15.802 -1.036 1.00 0.00 N ATOM 310 CA ALA A 26 3.154 -16.135 -0.254 1.00 0.00 C ATOM 311 C ALA A 26 4.331 -16.484 -1.160 1.00 0.00 C ATOM 312 O ALA A 26 4.258 -17.417 -1.958 1.00 0.00 O ATOM 313 CB ALA A 26 2.854 -17.289 0.692 1.00 0.00 C ATOM 0 H ALA A 26 1.246 -16.519 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 26 3.429 -15.259 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.747 -17.527 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.049 -17.004 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.551 -18.163 0.115 1.00 0.00 H new ATOM 319 N GLY A 27 5.416 -15.726 -1.030 1.00 0.00 N ATOM 320 CA GLY A 27 6.593 -15.971 -1.844 1.00 0.00 C ATOM 321 C GLY A 27 6.540 -15.242 -3.172 1.00 0.00 C ATOM 322 O GLY A 27 7.345 -15.505 -4.065 1.00 0.00 O ATOM 0 H GLY A 27 5.501 -14.948 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.482 -15.658 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.690 -17.042 -2.024 1.00 0.00 H new ATOM 326 N VAL A 28 5.589 -14.322 -3.304 1.00 0.00 N ATOM 327 CA VAL A 28 5.435 -13.554 -4.533 1.00 0.00 C ATOM 328 C VAL A 28 5.630 -12.063 -4.277 1.00 0.00 C ATOM 329 O VAL A 28 4.985 -11.467 -3.413 1.00 0.00 O ATOM 330 CB VAL A 28 4.048 -13.777 -5.165 1.00 0.00 C ATOM 331 CG1 VAL A 28 3.887 -12.927 -6.415 1.00 0.00 C ATOM 332 CG2 VAL A 28 3.839 -15.251 -5.482 1.00 0.00 C ATOM 0 H VAL A 28 4.914 -14.091 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 28 6.202 -13.905 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 28 3.287 -13.471 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.901 -13.098 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.991 -11.874 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.653 -13.199 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.854 -15.391 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.605 -15.585 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.908 -15.834 -4.564 1.00 0.00 H new ATOM 342 N PRO A 29 6.538 -11.444 -5.044 1.00 0.00 N ATOM 343 CA PRO A 29 6.838 -10.015 -4.921 1.00 0.00 C ATOM 344 C PRO A 29 5.689 -9.137 -5.403 1.00 0.00 C ATOM 345 O PRO A 29 5.520 -8.924 -6.604 1.00 0.00 O ATOM 346 CB PRO A 29 8.066 -9.831 -5.817 1.00 0.00 C ATOM 347 CG PRO A 29 7.974 -10.934 -6.814 1.00 0.00 C ATOM 348 CD PRO A 29 7.343 -12.093 -6.094 1.00 0.00 C ATOM 0 HA PRO A 29 7.003 -9.721 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.059 -8.856 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.989 -9.893 -5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.373 -10.634 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.961 -11.201 -7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.724 -12.693 -6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.094 -12.760 -5.670 1.00 0.00 H new ATOM 356 N ALA A 30 4.902 -8.629 -4.461 1.00 0.00 N ATOM 357 CA ALA A 30 3.770 -7.772 -4.792 1.00 0.00 C ATOM 358 C ALA A 30 4.213 -6.327 -4.983 1.00 0.00 C ATOM 359 O ALA A 30 4.442 -5.605 -4.012 1.00 0.00 O ATOM 360 CB ALA A 30 2.706 -7.862 -3.707 1.00 0.00 C ATOM 0 H ALA A 30 5.027 -8.796 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 30 3.344 -8.120 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.866 -7.217 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.360 -8.892 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.129 -7.541 -2.755 1.00 0.00 H new ATOM 366 N GLU A 31 4.334 -5.909 -6.239 1.00 0.00 N ATOM 367 CA GLU A 31 4.752 -4.549 -6.556 1.00 0.00 C ATOM 368 C GLU A 31 3.543 -3.654 -6.809 1.00 0.00 C ATOM 369 O GLU A 31 2.612 -4.034 -7.520 1.00 0.00 O ATOM 370 CB GLU A 31 5.669 -4.546 -7.780 1.00 0.00 C ATOM 371 CG GLU A 31 6.584 -5.757 -7.860 1.00 0.00 C ATOM 372 CD GLU A 31 7.350 -5.826 -9.166 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.262 -4.995 -9.362 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.036 -6.706 -9.993 1.00 0.00 O ATOM 0 H GLU A 31 4.148 -6.493 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 31 5.300 -4.155 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.057 -4.503 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.278 -3.642 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.290 -5.729 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.991 -6.664 -7.743 1.00 0.00 H new ATOM 381 N PHE A 32 3.563 -2.462 -6.223 1.00 0.00 N ATOM 382 CA PHE A 32 2.469 -1.511 -6.383 1.00 0.00 C ATOM 383 C PHE A 32 2.976 -0.075 -6.278 1.00 0.00 C ATOM 384 O PHE A 32 3.637 0.291 -5.307 1.00 0.00 O ATOM 385 CB PHE A 32 1.389 -1.761 -5.330 1.00 0.00 C ATOM 386 CG PHE A 32 1.835 -1.453 -3.929 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.782 -0.157 -3.441 1.00 0.00 C ATOM 388 CD2 PHE A 32 2.309 -2.458 -3.101 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.192 0.131 -2.152 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.719 -2.176 -1.812 1.00 0.00 C ATOM 391 CZ PHE A 32 2.662 -0.880 -1.337 1.00 0.00 C ATOM 0 H PHE A 32 4.326 -2.131 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 32 2.039 -1.654 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.515 -1.154 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.076 -2.804 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.416 0.637 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.358 -3.473 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.145 1.145 -1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.084 -2.969 -1.176 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.984 -0.658 -0.330 1.00 0.00 H new ATOM 401 N SER A 33 2.660 0.733 -7.285 1.00 0.00 N ATOM 402 CA SER A 33 3.087 2.127 -7.310 1.00 0.00 C ATOM 403 C SER A 33 1.999 3.037 -6.747 1.00 0.00 C ATOM 404 O SER A 33 0.811 2.715 -6.807 1.00 0.00 O ATOM 405 CB SER A 33 3.434 2.552 -8.737 1.00 0.00 C ATOM 406 OG SER A 33 4.372 1.663 -9.320 1.00 0.00 O ATOM 0 H SER A 33 2.110 0.446 -8.094 1.00 0.00 H new ATOM 0 HA SER A 33 3.976 2.220 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.528 2.578 -9.343 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.842 3.563 -8.730 1.00 0.00 H new ATOM 0 HG SER A 33 4.576 1.955 -10.233 1.00 0.00 H new ATOM 412 N ILE A 34 2.412 4.175 -6.200 1.00 0.00 N ATOM 413 CA ILE A 34 1.474 5.133 -5.627 1.00 0.00 C ATOM 414 C ILE A 34 1.486 6.445 -6.403 1.00 0.00 C ATOM 415 O ILE A 34 2.468 7.186 -6.372 1.00 0.00 O ATOM 416 CB ILE A 34 1.796 5.420 -4.148 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.874 4.113 -3.358 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.748 6.347 -3.549 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.718 4.214 -2.107 1.00 0.00 C ATOM 0 H ILE A 34 3.391 4.457 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 34 0.483 4.684 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 34 2.766 5.915 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.866 3.803 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.283 3.333 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.989 6.541 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.737 7.288 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.233 5.877 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.729 3.251 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.736 4.493 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.298 4.971 -1.445 1.00 0.00 H new ATOM 549 N LEU A 44 6.842 9.829 1.825 1.00 0.00 N ATOM 550 CA LEU A 44 5.975 8.657 1.846 1.00 0.00 C ATOM 551 C LEU A 44 6.563 7.559 2.727 1.00 0.00 C ATOM 552 O LEU A 44 7.726 7.184 2.576 1.00 0.00 O ATOM 553 CB LEU A 44 5.765 8.128 0.425 1.00 0.00 C ATOM 554 CG LEU A 44 4.593 8.729 -0.349 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.855 8.673 -1.846 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.299 8.004 -0.005 1.00 0.00 C ATOM 0 HA LEU A 44 5.013 8.955 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.678 8.302 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.624 7.048 0.478 1.00 0.00 H new ATOM 0 HG LEU A 44 4.490 9.774 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.009 9.106 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.758 9.237 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.986 7.636 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.475 8.445 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.392 6.950 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.103 8.097 1.063 1.00 0.00 H new ATOM 568 N SER A 45 5.751 7.047 3.647 1.00 0.00 N ATOM 569 CA SER A 45 6.191 5.994 4.554 1.00 0.00 C ATOM 570 C SER A 45 5.411 4.706 4.310 1.00 0.00 C ATOM 571 O SER A 45 4.209 4.736 4.043 1.00 0.00 O ATOM 572 CB SER A 45 6.021 6.440 6.007 1.00 0.00 C ATOM 573 OG SER A 45 6.806 5.644 6.879 1.00 0.00 O ATOM 0 H SER A 45 4.785 7.345 3.784 1.00 0.00 H new ATOM 0 HA SER A 45 7.246 5.800 4.362 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.309 7.486 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.971 6.370 6.292 1.00 0.00 H new ATOM 0 HG SER A 45 6.682 5.950 7.802 1.00 0.00 H new ATOM 579 N ILE A 46 6.102 3.575 4.405 1.00 0.00 N ATOM 580 CA ILE A 46 5.475 2.276 4.196 1.00 0.00 C ATOM 581 C ILE A 46 6.048 1.230 5.146 1.00 0.00 C ATOM 582 O ILE A 46 7.263 1.063 5.241 1.00 0.00 O ATOM 583 CB ILE A 46 5.656 1.791 2.745 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.980 2.759 1.772 1.00 0.00 C ATOM 585 CG2 ILE A 46 5.091 0.387 2.583 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.516 2.667 0.361 1.00 0.00 C ATOM 0 H ILE A 46 7.097 3.532 4.626 1.00 0.00 H new ATOM 0 HA ILE A 46 4.411 2.402 4.398 1.00 0.00 H new ATOM 0 HB ILE A 46 6.721 1.762 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.908 2.560 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.110 3.778 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.226 0.057 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.613 -0.295 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.029 0.392 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.992 3.381 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.582 2.896 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.361 1.658 -0.022 1.00 0.00 H new ATOM 598 N ALA A 47 5.164 0.527 5.847 1.00 0.00 N ATOM 599 CA ALA A 47 5.581 -0.506 6.785 1.00 0.00 C ATOM 600 C ALA A 47 4.641 -1.706 6.737 1.00 0.00 C ATOM 601 O ALA A 47 3.469 -1.605 7.099 1.00 0.00 O ATOM 602 CB ALA A 47 5.644 0.059 8.197 1.00 0.00 C ATOM 0 H ALA A 47 4.154 0.655 5.782 1.00 0.00 H new ATOM 0 HA ALA A 47 6.575 -0.845 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.957 -0.723 8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.361 0.879 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.659 0.426 8.486 1.00 0.00 H new ATOM 608 N VAL A 48 5.163 -2.842 6.283 1.00 0.00 N ATOM 609 CA VAL A 48 4.370 -4.061 6.186 1.00 0.00 C ATOM 610 C VAL A 48 4.402 -4.843 7.494 1.00 0.00 C ATOM 611 O VAL A 48 5.465 -5.256 7.956 1.00 0.00 O ATOM 612 CB VAL A 48 4.872 -4.968 5.046 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.998 -6.207 4.926 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.908 -4.201 3.733 1.00 0.00 C ATOM 0 H VAL A 48 6.131 -2.943 5.977 1.00 0.00 H new ATOM 0 HA VAL A 48 3.345 -3.756 5.973 1.00 0.00 H new ATOM 0 HB VAL A 48 5.887 -5.290 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.367 -6.836 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.028 -6.766 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.971 -5.909 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.265 -4.856 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.906 -3.849 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.579 -3.348 3.828 1.00 0.00 H new ATOM 624 N GLU A 49 3.228 -5.044 8.086 1.00 0.00 N ATOM 625 CA GLU A 49 3.122 -5.776 9.343 1.00 0.00 C ATOM 626 C GLU A 49 2.086 -6.892 9.236 1.00 0.00 C ATOM 627 O GLU A 49 0.920 -6.644 8.936 1.00 0.00 O ATOM 628 CB GLU A 49 2.750 -4.826 10.483 1.00 0.00 C ATOM 629 CG GLU A 49 3.824 -3.798 10.794 1.00 0.00 C ATOM 630 CD GLU A 49 3.342 -2.722 11.748 1.00 0.00 C ATOM 631 OE1 GLU A 49 3.000 -3.060 12.901 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.308 -1.541 11.342 1.00 0.00 O ATOM 0 H GLU A 49 2.338 -4.710 7.715 1.00 0.00 H new ATOM 0 HA GLU A 49 4.093 -6.224 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.826 -4.307 10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.548 -5.411 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.689 -4.301 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.157 -3.333 9.866 1.00 0.00 H new ATOM 639 N GLY A 50 2.524 -8.122 9.484 1.00 0.00 N ATOM 640 CA GLY A 50 1.624 -9.259 9.410 1.00 0.00 C ATOM 641 C GLY A 50 1.962 -10.334 10.424 1.00 0.00 C ATOM 642 O GLY A 50 2.618 -10.080 11.434 1.00 0.00 O ATOM 0 H GLY A 50 3.486 -8.352 9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.601 -8.920 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.663 -9.685 8.407 1.00 0.00 H new ATOM 646 N PRO A 51 1.508 -11.567 10.158 1.00 0.00 N ATOM 647 CA PRO A 51 1.754 -12.710 11.043 1.00 0.00 C ATOM 648 C PRO A 51 3.216 -13.142 11.041 1.00 0.00 C ATOM 649 O PRO A 51 3.697 -13.743 12.001 1.00 0.00 O ATOM 650 CB PRO A 51 0.870 -13.812 10.455 1.00 0.00 C ATOM 651 CG PRO A 51 0.713 -13.446 9.019 1.00 0.00 C ATOM 652 CD PRO A 51 0.720 -11.943 8.971 1.00 0.00 C ATOM 0 HA PRO A 51 1.529 -12.474 12.083 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.334 -14.792 10.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.095 -13.857 10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.525 -13.859 8.420 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.217 -13.845 8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.175 -11.572 8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.290 -11.535 9.013 1.00 0.00 H new ATOM 660 N SER A 52 3.918 -12.829 9.955 1.00 0.00 N ATOM 661 CA SER A 52 5.326 -13.189 9.827 1.00 0.00 C ATOM 662 C SER A 52 6.125 -12.043 9.212 1.00 0.00 C ATOM 663 O SER A 52 5.564 -11.020 8.821 1.00 0.00 O ATOM 664 CB SER A 52 5.476 -14.448 8.970 1.00 0.00 C ATOM 665 OG SER A 52 5.006 -15.593 9.660 1.00 0.00 O ATOM 0 H SER A 52 3.535 -12.328 9.153 1.00 0.00 H new ATOM 0 HA SER A 52 5.718 -13.388 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.921 -14.327 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.523 -14.586 8.701 1.00 0.00 H new ATOM 0 HG SER A 52 5.111 -16.384 9.091 1.00 0.00 H new ATOM 671 N LYS A 53 7.439 -12.224 9.132 1.00 0.00 N ATOM 672 CA LYS A 53 8.317 -11.208 8.564 1.00 0.00 C ATOM 673 C LYS A 53 8.119 -11.097 7.057 1.00 0.00 C ATOM 674 O LYS A 53 8.053 -12.106 6.355 1.00 0.00 O ATOM 675 CB LYS A 53 9.779 -11.537 8.875 1.00 0.00 C ATOM 676 CG LYS A 53 10.755 -10.468 8.413 1.00 0.00 C ATOM 677 CD LYS A 53 10.800 -9.299 9.382 1.00 0.00 C ATOM 678 CE LYS A 53 11.342 -8.044 8.716 1.00 0.00 C ATOM 679 NZ LYS A 53 11.596 -6.957 9.701 1.00 0.00 N ATOM 0 H LYS A 53 7.919 -13.065 9.453 1.00 0.00 H new ATOM 0 HA LYS A 53 8.062 -10.250 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.890 -11.678 9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.038 -12.483 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.751 -10.900 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.465 -10.112 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.799 -9.105 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.425 -9.557 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.268 -8.282 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.632 -7.696 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.965 -6.120 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.708 -6.711 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.293 -7.280 10.402 1.00 0.00 H new ATOM 693 N ALA A 54 8.027 -9.866 6.565 1.00 0.00 N ATOM 694 CA ALA A 54 7.840 -9.625 5.139 1.00 0.00 C ATOM 695 C ALA A 54 8.902 -8.674 4.599 1.00 0.00 C ATOM 696 O ALA A 54 9.236 -7.676 5.237 1.00 0.00 O ATOM 697 CB ALA A 54 6.448 -9.068 4.876 1.00 0.00 C ATOM 0 H ALA A 54 8.079 -9.020 7.133 1.00 0.00 H new ATOM 0 HA ALA A 54 7.943 -10.577 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.322 -8.893 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.699 -9.783 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.324 -8.129 5.415 1.00 0.00 H new ATOM 703 N GLU A 55 9.431 -8.992 3.421 1.00 0.00 N ATOM 704 CA GLU A 55 10.458 -8.165 2.798 1.00 0.00 C ATOM 705 C GLU A 55 9.851 -6.892 2.215 1.00 0.00 C ATOM 706 O GLU A 55 8.683 -6.869 1.828 1.00 0.00 O ATOM 707 CB GLU A 55 11.177 -8.950 1.699 1.00 0.00 C ATOM 708 CG GLU A 55 12.434 -8.267 1.186 1.00 0.00 C ATOM 709 CD GLU A 55 12.868 -8.785 -0.171 1.00 0.00 C ATOM 710 OE1 GLU A 55 11.991 -9.217 -0.948 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.084 -8.757 -0.456 1.00 0.00 O ATOM 0 H GLU A 55 9.166 -9.815 2.880 1.00 0.00 H new ATOM 0 HA GLU A 55 11.179 -7.884 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.440 -9.936 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.491 -9.103 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.259 -7.193 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.242 -8.416 1.903 1.00 0.00 H new ATOM 718 N ILE A 56 10.654 -5.834 2.158 1.00 0.00 N ATOM 719 CA ILE A 56 10.197 -4.557 1.623 1.00 0.00 C ATOM 720 C ILE A 56 11.295 -3.878 0.812 1.00 0.00 C ATOM 721 O ILE A 56 12.444 -3.795 1.247 1.00 0.00 O ATOM 722 CB ILE A 56 9.740 -3.608 2.746 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.530 -4.192 3.478 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.410 -2.236 2.177 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.320 -3.609 4.858 1.00 0.00 C ATOM 0 H ILE A 56 11.623 -5.836 2.475 1.00 0.00 H new ATOM 0 HA ILE A 56 9.349 -4.771 0.973 1.00 0.00 H new ATOM 0 HB ILE A 56 10.554 -3.498 3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.635 -4.020 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.653 -5.272 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.088 -1.576 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.295 -1.819 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.610 -2.329 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.445 -4.069 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.198 -3.804 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.165 -2.533 4.779 1.00 0.00 H new ATOM 737 N THR A 57 10.933 -3.388 -0.370 1.00 0.00 N ATOM 738 CA THR A 57 11.885 -2.714 -1.243 1.00 0.00 C ATOM 739 C THR A 57 11.356 -1.356 -1.690 1.00 0.00 C ATOM 740 O THR A 57 10.455 -1.274 -2.525 1.00 0.00 O ATOM 741 CB THR A 57 12.205 -3.563 -2.487 1.00 0.00 C ATOM 742 OG1 THR A 57 12.743 -4.830 -2.092 1.00 0.00 O ATOM 743 CG2 THR A 57 13.198 -2.847 -3.391 1.00 0.00 C ATOM 0 H THR A 57 9.986 -3.446 -0.744 1.00 0.00 H new ATOM 0 HA THR A 57 12.798 -2.572 -0.665 1.00 0.00 H new ATOM 0 HB THR A 57 11.279 -3.718 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.942 -5.364 -2.889 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.408 -3.466 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.775 -1.896 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.123 -2.665 -2.844 1.00 0.00 H new ATOM 884 N VAL A 68 7.559 0.385 -5.304 1.00 0.00 N ATOM 885 CA VAL A 68 7.677 -0.335 -4.042 1.00 0.00 C ATOM 886 C VAL A 68 7.266 -1.795 -4.203 1.00 0.00 C ATOM 887 O VAL A 68 6.345 -2.111 -4.955 1.00 0.00 O ATOM 888 CB VAL A 68 6.814 0.311 -2.943 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.006 -0.411 -1.618 1.00 0.00 C ATOM 890 CG2 VAL A 68 7.147 1.790 -2.806 1.00 0.00 C ATOM 0 HA VAL A 68 8.725 -0.285 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 68 5.766 0.222 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.388 0.060 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.714 -1.456 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.054 -0.356 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.528 2.231 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.199 1.903 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.953 2.296 -3.752 1.00 0.00 H new ATOM 900 N SER A 69 7.955 -2.681 -3.489 1.00 0.00 N ATOM 901 CA SER A 69 7.664 -4.107 -3.555 1.00 0.00 C ATOM 902 C SER A 69 7.780 -4.749 -2.175 1.00 0.00 C ATOM 903 O SER A 69 8.459 -4.228 -1.290 1.00 0.00 O ATOM 904 CB SER A 69 8.614 -4.799 -4.534 1.00 0.00 C ATOM 905 OG SER A 69 8.799 -4.020 -5.702 1.00 0.00 O ATOM 0 H SER A 69 8.718 -2.435 -2.859 1.00 0.00 H new ATOM 0 HA SER A 69 6.640 -4.228 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.576 -4.971 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.214 -5.776 -4.804 1.00 0.00 H new ATOM 0 HG SER A 69 9.411 -4.484 -6.311 1.00 0.00 H new ATOM 911 N TYR A 70 7.112 -5.884 -2.000 1.00 0.00 N ATOM 912 CA TYR A 70 7.136 -6.597 -0.728 1.00 0.00 C ATOM 913 C TYR A 70 6.851 -8.083 -0.931 1.00 0.00 C ATOM 914 O TYR A 70 5.976 -8.456 -1.712 1.00 0.00 O ATOM 915 CB TYR A 70 6.114 -5.997 0.237 1.00 0.00 C ATOM 916 CG TYR A 70 4.681 -6.309 -0.128 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.066 -7.471 0.323 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.941 -5.444 -0.925 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.756 -7.761 -0.009 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.631 -5.725 -1.260 1.00 0.00 C ATOM 921 CZ TYR A 70 2.043 -6.884 -0.800 1.00 0.00 C ATOM 922 OH TYR A 70 0.738 -7.169 -1.133 1.00 0.00 O ATOM 0 H TYR A 70 6.547 -6.330 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 70 8.133 -6.492 -0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.313 -6.369 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.245 -4.915 0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.621 -8.159 0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.398 -4.536 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.293 -8.669 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.070 -5.040 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 70 0.379 -6.450 -1.694 1.00 0.00 H new ATOM 932 N ILE A 71 7.596 -8.923 -0.221 1.00 0.00 N ATOM 933 CA ILE A 71 7.422 -10.367 -0.321 1.00 0.00 C ATOM 934 C ILE A 71 7.098 -10.977 1.039 1.00 0.00 C ATOM 935 O ILE A 71 7.732 -10.652 2.043 1.00 0.00 O ATOM 936 CB ILE A 71 8.682 -11.048 -0.889 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.801 -10.777 -2.391 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.644 -12.544 -0.617 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.077 -11.312 -3.002 1.00 0.00 C ATOM 0 H ILE A 71 8.325 -8.629 0.429 1.00 0.00 H new ATOM 0 HA ILE A 71 6.588 -10.538 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 71 9.558 -10.631 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.948 -11.224 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.748 -9.702 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.541 -13.011 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.601 -12.717 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.763 -12.977 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.094 -11.084 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.935 -10.846 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.123 -12.392 -2.861 1.00 0.00 H new ATOM 951 N ALA A 72 6.109 -11.863 1.063 1.00 0.00 N ATOM 952 CA ALA A 72 5.703 -12.521 2.298 1.00 0.00 C ATOM 953 C ALA A 72 6.019 -14.013 2.255 1.00 0.00 C ATOM 954 O ALA A 72 5.391 -14.768 1.514 1.00 0.00 O ATOM 955 CB ALA A 72 4.219 -12.302 2.551 1.00 0.00 C ATOM 0 H ALA A 72 5.574 -12.142 0.241 1.00 0.00 H new ATOM 0 HA ALA A 72 6.269 -12.079 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.930 -12.799 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.018 -11.234 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.644 -12.715 1.723 1.00 0.00 H new ATOM 961 N GLN A 73 6.997 -14.429 3.053 1.00 0.00 N ATOM 962 CA GLN A 73 7.397 -15.830 3.104 1.00 0.00 C ATOM 963 C GLN A 73 6.206 -16.725 3.427 1.00 0.00 C ATOM 964 O GLN A 73 5.919 -17.678 2.703 1.00 0.00 O ATOM 965 CB GLN A 73 8.499 -16.031 4.146 1.00 0.00 C ATOM 966 CG GLN A 73 9.698 -15.119 3.947 1.00 0.00 C ATOM 967 CD GLN A 73 10.431 -15.394 2.649 1.00 0.00 C ATOM 968 OE1 GLN A 73 9.896 -14.885 1.546 1.00 0.00 O flip ATOM 969 NE2 GLN A 73 11.469 -16.058 2.638 1.00 0.00 N flip ATOM 0 H GLN A 73 7.527 -13.816 3.673 1.00 0.00 H new ATOM 0 HA GLN A 73 7.781 -16.107 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.084 -15.860 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.833 -17.068 4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.366 -14.081 3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.387 -15.243 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.845 -16.430 3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.952 -16.235 1.757 1.00 0.00 H new ATOM 978 N GLU A 74 5.515 -16.411 4.519 1.00 0.00 N ATOM 979 CA GLU A 74 4.355 -17.189 4.938 1.00 0.00 C ATOM 980 C GLU A 74 3.058 -16.467 4.581 1.00 0.00 C ATOM 981 O GLU A 74 2.967 -15.241 4.627 1.00 0.00 O ATOM 982 CB GLU A 74 4.406 -17.452 6.444 1.00 0.00 C ATOM 983 CG GLU A 74 5.569 -18.333 6.869 1.00 0.00 C ATOM 984 CD GLU A 74 5.391 -19.778 6.444 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.251 -20.282 6.521 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.391 -20.404 6.035 1.00 0.00 O ATOM 0 H GLU A 74 5.738 -15.624 5.129 1.00 0.00 H new ATOM 0 HA GLU A 74 4.379 -18.142 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.472 -16.499 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.473 -17.922 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.492 -17.943 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.678 -18.287 7.953 1.00 0.00 H new ATOM 993 N PRO A 75 2.030 -17.246 4.214 1.00 0.00 N ATOM 994 CA PRO A 75 0.720 -16.704 3.840 1.00 0.00 C ATOM 995 C PRO A 75 -0.025 -16.115 5.033 1.00 0.00 C ATOM 996 O PRO A 75 0.175 -16.537 6.172 1.00 0.00 O ATOM 997 CB PRO A 75 -0.025 -17.924 3.293 1.00 0.00 C ATOM 998 CG PRO A 75 0.622 -19.092 3.954 1.00 0.00 C ATOM 999 CD PRO A 75 2.067 -18.716 4.135 1.00 0.00 C ATOM 0 HA PRO A 75 0.806 -15.885 3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.088 -17.876 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.060 -17.986 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.152 -19.308 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.526 -19.989 3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.487 -19.157 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.679 -19.058 3.300 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.885 -15.138 4.765 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.647 -14.508 5.827 1.00 0.00 C ATOM 1009 C GLY A 76 -2.029 -13.078 5.497 1.00 0.00 C ATOM 1010 O GLY A 76 -1.701 -12.574 4.424 1.00 0.00 O ATOM 0 H GLY A 76 -1.068 -14.771 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.551 -15.088 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.062 -14.522 6.747 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.724 -12.424 6.422 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.152 -11.044 6.223 1.00 0.00 C ATOM 1016 C ASN A 77 -2.076 -10.069 6.689 1.00 0.00 C ATOM 1017 O ASN A 77 -1.827 -9.928 7.887 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.458 -10.780 6.976 1.00 0.00 C ATOM 1019 CG ASN A 77 -5.524 -11.811 6.662 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -5.274 -13.015 6.712 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -6.723 -11.341 6.336 1.00 0.00 N ATOM 0 H ASN A 77 -3.003 -12.827 7.316 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.318 -10.891 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.262 -10.779 8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.829 -9.788 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.481 -11.987 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.886 -10.334 6.307 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.442 -9.395 5.735 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.392 -8.434 6.048 1.00 0.00 C ATOM 1030 C TYR A 78 -0.910 -7.003 5.928 1.00 0.00 C ATOM 1031 O TYR A 78 -1.255 -6.546 4.840 1.00 0.00 O ATOM 1032 CB TYR A 78 0.805 -8.633 5.116 1.00 0.00 C ATOM 1033 CG TYR A 78 1.628 -9.859 5.443 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.170 -11.132 5.126 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.863 -9.744 6.067 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.918 -12.254 5.422 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.620 -10.862 6.366 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.142 -12.114 6.042 1.00 0.00 C ATOM 1039 OH TYR A 78 3.891 -13.230 6.338 1.00 0.00 O ATOM 0 H TYR A 78 -1.637 -9.497 4.739 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.076 -8.603 7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.447 -8.709 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.445 -7.752 5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.212 -11.246 4.640 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.239 -8.765 6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.547 -13.236 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.579 -10.755 6.850 1.00 0.00 H new ATOM 0 HH TYR A 78 3.609 -13.974 5.766 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.960 -6.303 7.057 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.436 -4.925 7.080 1.00 0.00 C ATOM 1051 C GLU A 79 -0.309 -3.954 6.739 1.00 0.00 C ATOM 1052 O GLU A 79 0.673 -3.843 7.473 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.017 -4.586 8.454 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.123 -3.545 8.407 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.232 -2.750 9.694 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.443 -1.799 9.873 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.107 -3.080 10.523 1.00 0.00 O ATOM 0 H GLU A 79 -0.677 -6.667 7.967 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.218 -4.825 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.406 -5.497 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.216 -4.224 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.939 -2.862 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.074 -4.039 8.208 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.458 -3.255 5.619 1.00 0.00 N ATOM 1065 CA VAL A 80 0.546 -2.293 5.179 1.00 0.00 C ATOM 1066 C VAL A 80 0.205 -0.885 5.654 1.00 0.00 C ATOM 1067 O VAL A 80 -0.852 -0.347 5.324 1.00 0.00 O ATOM 1068 CB VAL A 80 0.682 -2.286 3.644 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.783 -1.331 3.211 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.950 -3.692 3.128 1.00 0.00 C ATOM 0 H VAL A 80 -1.264 -3.336 4.999 1.00 0.00 H new ATOM 0 HA VAL A 80 1.494 -2.602 5.620 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.257 -1.938 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.865 -1.339 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.544 -0.323 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.730 -1.646 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.043 -3.669 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.875 -4.069 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.124 -4.346 3.408 1.00 0.00 H new ATOM 1080 N SER A 81 1.106 -0.294 6.431 1.00 0.00 N ATOM 1081 CA SER A 81 0.898 1.051 6.956 1.00 0.00 C ATOM 1082 C SER A 81 1.470 2.099 6.005 1.00 0.00 C ATOM 1083 O SER A 81 2.678 2.146 5.770 1.00 0.00 O ATOM 1084 CB SER A 81 1.546 1.190 8.334 1.00 0.00 C ATOM 1085 OG SER A 81 2.950 1.007 8.258 1.00 0.00 O ATOM 0 H SER A 81 1.987 -0.725 6.711 1.00 0.00 H new ATOM 0 HA SER A 81 -0.175 1.216 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.326 2.175 8.745 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.117 0.457 9.017 1.00 0.00 H new ATOM 0 HG SER A 81 3.281 1.365 7.408 1.00 0.00 H new ATOM 1091 N ILE A 82 0.593 2.937 5.462 1.00 0.00 N ATOM 1092 CA ILE A 82 1.010 3.984 4.538 1.00 0.00 C ATOM 1093 C ILE A 82 0.691 5.368 5.095 1.00 0.00 C ATOM 1094 O ILE A 82 -0.470 5.701 5.332 1.00 0.00 O ATOM 1095 CB ILE A 82 0.329 3.827 3.166 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.725 2.494 2.526 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.701 4.988 2.254 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.021 2.195 1.244 1.00 0.00 C ATOM 0 H ILE A 82 -0.410 2.911 5.646 1.00 0.00 H new ATOM 0 HA ILE A 82 2.088 3.884 4.414 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.751 3.834 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.795 2.502 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.543 1.690 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.212 4.863 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.376 5.925 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.782 5.009 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.310 1.236 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.091 2.154 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.180 2.979 0.514 1.00 0.00 H new ATOM 1110 N LYS A 83 1.729 6.170 5.301 1.00 0.00 N ATOM 1111 CA LYS A 83 1.562 7.519 5.828 1.00 0.00 C ATOM 1112 C LYS A 83 2.136 8.554 4.865 1.00 0.00 C ATOM 1113 O LYS A 83 3.294 8.461 4.457 1.00 0.00 O ATOM 1114 CB LYS A 83 2.241 7.644 7.193 1.00 0.00 C ATOM 1115 CG LYS A 83 1.351 7.238 8.355 1.00 0.00 C ATOM 1116 CD LYS A 83 1.696 8.009 9.618 1.00 0.00 C ATOM 1117 CE LYS A 83 2.758 7.290 10.436 1.00 0.00 C ATOM 1118 NZ LYS A 83 4.132 7.594 9.952 1.00 0.00 N ATOM 0 H LYS A 83 2.697 5.909 5.111 1.00 0.00 H new ATOM 0 HA LYS A 83 0.495 7.708 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.139 7.026 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.563 8.675 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.307 7.414 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.457 6.169 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.052 9.005 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.798 8.142 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.669 7.581 11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.586 6.215 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.828 7.241 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.287 7.131 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.242 8.622 9.844 1.00 0.00 H new ATOM 1132 N PHE A 84 1.321 9.540 4.508 1.00 0.00 N ATOM 1133 CA PHE A 84 1.748 10.594 3.595 1.00 0.00 C ATOM 1134 C PHE A 84 1.993 11.899 4.345 1.00 0.00 C ATOM 1135 O PHE A 84 1.056 12.534 4.829 1.00 0.00 O ATOM 1136 CB PHE A 84 0.698 10.808 2.503 1.00 0.00 C ATOM 1137 CG PHE A 84 1.012 11.956 1.587 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.766 11.760 0.442 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.552 13.233 1.871 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.057 12.814 -0.403 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.839 14.291 1.030 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.592 14.083 -0.109 1.00 0.00 C ATOM 0 H PHE A 84 0.360 9.632 4.837 1.00 0.00 H new ATOM 0 HA PHE A 84 2.684 10.282 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.608 9.896 1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.271 10.981 2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.131 10.771 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.037 13.403 2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.647 12.647 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.475 15.281 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.817 14.909 -0.768 1.00 0.00 H new ATOM 1152 N ASN A 85 3.259 12.293 4.438 1.00 0.00 N ATOM 1153 CA ASN A 85 3.627 13.522 5.130 1.00 0.00 C ATOM 1154 C ASN A 85 3.249 13.449 6.607 1.00 0.00 C ATOM 1155 O ASN A 85 2.759 14.421 7.182 1.00 0.00 O ATOM 1156 CB ASN A 85 2.944 14.725 4.477 1.00 0.00 C ATOM 1157 CG ASN A 85 3.739 15.277 3.309 1.00 0.00 C ATOM 1158 OD1 ASN A 85 4.965 15.165 3.270 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.044 15.878 2.351 1.00 0.00 N ATOM 0 H ASN A 85 4.047 11.779 4.043 1.00 0.00 H new ATOM 0 HA ASN A 85 4.708 13.641 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.952 14.433 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.805 15.509 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.525 16.270 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.029 15.948 2.425 1.00 0.00 H new ATOM 1166 N ASP A 86 3.482 12.291 7.215 1.00 0.00 N ATOM 1167 CA ASP A 86 3.167 12.090 8.625 1.00 0.00 C ATOM 1168 C ASP A 86 1.661 12.144 8.859 1.00 0.00 C ATOM 1169 O ASP A 86 1.198 12.686 9.861 1.00 0.00 O ATOM 1170 CB ASP A 86 3.867 13.148 9.480 1.00 0.00 C ATOM 1171 CG ASP A 86 5.264 13.462 8.985 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.051 12.514 8.786 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.571 14.658 8.793 1.00 0.00 O ATOM 0 H ASP A 86 3.888 11.477 6.754 1.00 0.00 H new ATOM 0 HA ASP A 86 3.526 11.102 8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.272 14.061 9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.920 12.800 10.512 1.00 0.00 H new ATOM 1178 N GLU A 87 0.902 11.577 7.925 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.552 11.562 8.030 1.00 0.00 C ATOM 1180 C GLU A 87 -1.123 10.251 7.497 1.00 0.00 C ATOM 1181 O GLU A 87 -0.673 9.737 6.472 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.154 12.742 7.263 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.284 14.007 8.096 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.042 15.104 7.375 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.288 15.032 7.329 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.391 16.034 6.856 1.00 0.00 O ATOM 0 H GLU A 87 1.270 11.123 7.089 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.815 11.651 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.534 12.953 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.139 12.459 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.794 13.772 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.290 14.369 8.358 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.116 9.716 8.200 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.748 8.464 7.798 1.00 0.00 C ATOM 1195 C HIS A 88 -3.880 8.722 6.808 1.00 0.00 C ATOM 1196 O HIS A 88 -4.912 9.291 7.163 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.285 7.723 9.023 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.304 6.763 9.620 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.328 6.951 10.540 1.00 0.00 N flip ATOM 1200 CD2 HIS A 88 -2.256 5.428 9.280 1.00 0.00 C flip ATOM 1201 CE1 HIS A 88 -0.715 5.739 10.737 1.00 0.00 C flip ATOM 1202 NE2 HIS A 88 -1.293 4.836 9.966 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.500 10.129 9.050 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.995 7.845 7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.574 8.452 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.187 7.180 8.742 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.903 4.942 8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.107 5.554 11.413 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.040 3.850 9.909 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.678 8.299 5.564 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.682 8.483 4.523 1.00 0.00 C ATOM 1212 C ILE A 89 -5.934 7.662 4.815 1.00 0.00 C ATOM 1213 O ILE A 89 -5.906 6.689 5.568 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.135 8.090 3.138 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.151 6.925 3.265 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.466 9.284 2.474 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.083 6.054 2.030 1.00 0.00 C ATOM 0 H ILE A 89 -2.829 7.827 5.253 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.939 9.542 4.516 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.969 7.771 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.157 7.321 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.437 6.310 4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.085 8.990 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.192 10.088 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.641 9.631 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.366 5.249 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.067 5.629 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.767 6.655 1.178 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.059 8.061 4.203 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.343 7.375 4.379 1.00 0.00 C ATOM 1231 C PRO A 90 -8.358 5.998 3.724 1.00 0.00 C ATOM 1232 O PRO A 90 -9.377 5.308 3.734 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.341 8.307 3.688 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.531 9.052 2.685 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.165 9.212 3.291 1.00 0.00 C ATOM 0 HA PRO A 90 -8.567 7.193 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.143 7.744 3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.809 8.985 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.478 8.506 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.977 10.022 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.384 9.196 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.071 10.158 3.825 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.222 5.604 3.156 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.107 4.309 2.497 1.00 0.00 C ATOM 1245 C GLU A 91 -6.084 3.426 3.206 1.00 0.00 C ATOM 1246 O GLU A 91 -5.825 2.297 2.787 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.709 4.492 1.030 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.791 5.141 0.183 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.955 4.209 -0.090 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -8.875 3.429 -1.062 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -9.947 4.259 0.667 1.00 0.00 O ATOM 0 H GLU A 91 -6.369 6.163 3.139 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.079 3.819 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.806 5.101 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.461 3.519 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.157 6.034 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.360 5.465 -0.764 1.00 0.00 H new ATOM 1258 N SER A 92 -5.505 3.948 4.282 1.00 0.00 N ATOM 1259 CA SER A 92 -4.507 3.211 5.047 1.00 0.00 C ATOM 1260 C SER A 92 -4.887 3.155 6.524 1.00 0.00 C ATOM 1261 O SER A 92 -5.600 4.015 7.041 1.00 0.00 O ATOM 1262 CB SER A 92 -3.130 3.857 4.888 1.00 0.00 C ATOM 1263 OG SER A 92 -2.904 4.829 5.893 1.00 0.00 O ATOM 0 H SER A 92 -5.710 4.879 4.644 1.00 0.00 H new ATOM 0 HA SER A 92 -4.469 2.193 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.357 3.090 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.054 4.321 3.905 1.00 0.00 H new ATOM 0 HG SER A 92 -1.980 5.151 5.835 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.401 2.116 7.220 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.552 1.086 6.615 1.00 0.00 C ATOM 1271 C PRO A 93 -4.321 0.199 5.643 1.00 0.00 C ATOM 1272 O PRO A 93 -5.552 0.221 5.608 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.073 0.269 7.819 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.122 0.473 8.856 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.642 1.869 8.651 1.00 0.00 C ATOM 0 HA PRO A 93 -2.743 1.519 6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.967 -0.786 7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.099 0.612 8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.922 -0.260 8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.709 0.354 9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.701 1.944 8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.116 2.590 9.277 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.590 -0.582 4.856 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.204 -1.476 3.881 1.00 0.00 C ATOM 1285 C TYR A 94 -4.142 -2.924 4.354 1.00 0.00 C ATOM 1286 O TYR A 94 -3.226 -3.314 5.080 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.509 -1.340 2.525 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.707 0.010 1.875 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.093 1.147 2.386 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.509 0.149 0.747 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.272 2.383 1.796 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.692 1.381 0.150 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.073 2.494 0.677 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.253 3.724 0.085 1.00 0.00 O ATOM 0 H TYR A 94 -2.571 -0.614 4.874 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.251 -1.193 3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.441 -1.518 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.883 -2.114 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.464 1.063 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.996 -0.720 0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.789 3.257 2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.317 1.472 -0.726 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.634 3.604 -0.810 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.123 -3.719 3.940 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.181 -5.125 4.319 1.00 0.00 C ATOM 1306 C LEU A 95 -5.064 -6.026 3.094 1.00 0.00 C ATOM 1307 O LEU A 95 -5.987 -6.115 2.285 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.487 -5.420 5.060 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.619 -6.822 5.656 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.321 -7.241 6.329 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.775 -6.875 6.644 1.00 0.00 C ATOM 0 H LEU A 95 -5.890 -3.412 3.341 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.340 -5.332 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.597 -4.693 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.316 -5.260 4.371 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.827 -7.522 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.434 -8.241 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.515 -7.244 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.082 -6.539 7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.854 -7.880 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.597 -6.163 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.703 -6.620 6.132 1.00 0.00 H new ATOM 1323 N VAL A 96 -3.921 -6.693 2.965 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.684 -7.590 1.840 1.00 0.00 C ATOM 1325 C VAL A 96 -3.648 -9.045 2.295 1.00 0.00 C ATOM 1326 O VAL A 96 -2.660 -9.522 2.854 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.362 -7.255 1.125 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.338 -7.866 -0.269 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.159 -5.749 1.058 1.00 0.00 C ATOM 0 H VAL A 96 -3.146 -6.629 3.625 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.511 -7.450 1.144 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.541 -7.685 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.396 -7.618 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.434 -8.949 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.167 -7.469 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.220 -5.531 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.983 -5.295 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.128 -5.341 2.068 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.751 -9.768 2.051 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.870 -11.180 2.426 1.00 0.00 C ATOM 1341 C PRO A 97 -3.973 -12.082 1.585 1.00 0.00 C ATOM 1342 O PRO A 97 -4.386 -12.584 0.539 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.345 -11.494 2.161 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.760 -10.512 1.120 1.00 0.00 C ATOM 1345 CD PRO A 97 -5.965 -9.264 1.389 1.00 0.00 C ATOM 0 HA PRO A 97 -4.561 -11.355 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.475 -12.519 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.942 -11.387 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.559 -10.895 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.830 -10.313 1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.729 -8.732 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.511 -8.569 2.027 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.744 -12.284 2.047 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.790 -13.127 1.338 1.00 0.00 C ATOM 1355 C VAL A 98 -2.074 -14.605 1.582 1.00 0.00 C ATOM 1356 O VAL A 98 -2.424 -15.005 2.693 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.343 -12.817 1.764 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.645 -13.605 0.915 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.067 -11.324 1.668 1.00 0.00 C ATOM 0 H VAL A 98 -2.385 -11.875 2.910 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.904 -12.909 0.276 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.216 -13.121 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.662 -13.373 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.461 -14.672 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.520 -13.335 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.960 -11.124 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.212 -10.993 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.752 -10.785 2.323 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.920 -15.412 0.537 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.158 -16.847 0.640 1.00 0.00 C ATOM 1371 C ILE A 99 -1.123 -17.634 -0.157 1.00 0.00 C ATOM 1372 O ILE A 99 -0.468 -17.094 -1.048 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.566 -17.220 0.139 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.712 -16.874 -1.345 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.628 -16.506 0.962 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.724 -17.734 -2.069 1.00 0.00 C ATOM 0 H ILE A 99 -1.632 -15.097 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.075 -17.107 1.695 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.704 -18.295 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.003 -15.828 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.742 -16.980 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.617 -16.780 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.535 -16.798 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.494 -15.428 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.775 -17.433 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.424 -18.780 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.704 -17.610 -1.608 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.981 -18.914 0.173 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.027 -19.777 -0.515 1.00 0.00 C ATOM 1390 C ALA A 100 -0.581 -20.249 -1.855 1.00 0.00 C ATOM 1391 O ALA A 100 -1.582 -20.963 -1.924 1.00 0.00 O ATOM 1392 CB ALA A 100 0.330 -20.969 0.361 1.00 0.00 C ATOM 0 H ALA A 100 -1.513 -19.376 0.911 1.00 0.00 H new ATOM 0 HA ALA A 100 0.876 -19.199 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.043 -21.606 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.775 -20.616 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.571 -21.540 0.583 1.00 0.00 H new ATOM 1398 N PRO A 101 0.083 -19.842 -2.946 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.324 -20.213 -4.305 1.00 0.00 C ATOM 1400 C PRO A 101 -0.095 -21.692 -4.596 1.00 0.00 C ATOM 1401 O PRO A 101 1.029 -22.184 -4.509 1.00 0.00 O ATOM 1402 CB PRO A 101 0.573 -19.346 -5.193 1.00 0.00 C ATOM 1403 CG PRO A 101 1.775 -19.066 -4.359 1.00 0.00 C ATOM 1404 CD PRO A 101 1.285 -18.990 -2.939 1.00 0.00 C ATOM 0 HA PRO A 101 -1.390 -20.054 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.842 -19.866 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.070 -18.424 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.521 -19.853 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.249 -18.131 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.033 -19.356 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.050 -17.966 -2.649 1.00 0.00 H new