USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=12 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 : no HD1:sc= -1.56! K(o=-0.32!,f=0.55) USER MOD Set 1.2: A 92 SER OG : rot 157:sc= 1.23 USER MOD Single : A 12 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.5) 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 -170:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0782 (180deg=-0.448) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.314 USER MOD Single : A 70 TYR OH : rot 130:sc= -0.459 USER MOD Single : A 73 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.2) USER MOD Single : A 77 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.5!) USER MOD Single : A 78 TYR OH : rot 28:sc= 0.662 USER MOD Single : A 81 SER OG : rot 180:sc= -0.147 USER MOD Single : A 83 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0809) USER MOD Single : A 85 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.4!) USER MOD Single : A 94 TYR OH : rot 31:sc= -3.5 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.269 17.607 1.215 1.00 0.00 N ATOM 89 CA GLY A 10 -2.502 16.871 2.202 1.00 0.00 C ATOM 90 C GLY A 10 -2.450 15.385 1.905 1.00 0.00 C ATOM 91 O GLY A 10 -2.003 14.975 0.834 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.487 17.267 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.940 17.026 3.188 1.00 0.00 H new ATOM 95 N ALA A 11 -2.906 14.576 2.856 1.00 0.00 N ATOM 96 CA ALA A 11 -2.910 13.129 2.691 1.00 0.00 C ATOM 97 C ALA A 11 -4.201 12.654 2.034 1.00 0.00 C ATOM 98 O ALA A 11 -4.175 11.945 1.028 1.00 0.00 O ATOM 99 CB ALA A 11 -2.716 12.443 4.035 1.00 0.00 C ATOM 0 H ALA A 11 -3.278 14.899 3.749 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.081 12.862 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.721 11.362 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.762 12.749 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.525 12.726 4.708 1.00 0.00 H new ATOM 105 N HIS A 12 -5.332 13.050 2.610 1.00 0.00 N ATOM 106 CA HIS A 12 -6.635 12.664 2.080 1.00 0.00 C ATOM 107 C HIS A 12 -6.600 12.582 0.556 1.00 0.00 C ATOM 108 O HIS A 12 -7.217 11.702 -0.043 1.00 0.00 O ATOM 109 CB HIS A 12 -7.705 13.661 2.524 1.00 0.00 C ATOM 110 CG HIS A 12 -7.422 15.071 2.103 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.395 15.822 2.633 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.037 15.864 1.196 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.391 17.018 2.071 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.379 17.070 1.195 1.00 0.00 N ATOM 0 H HIS A 12 -5.372 13.637 3.443 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.882 11.678 2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.668 13.355 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.795 13.626 3.610 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.888 15.598 0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.698 17.817 2.290 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.615 17.874 0.613 1.00 0.00 H new ATOM 122 N LYS A 13 -5.874 13.506 -0.063 1.00 0.00 N ATOM 123 CA LYS A 13 -5.757 13.539 -1.516 1.00 0.00 C ATOM 124 C LYS A 13 -5.035 12.299 -2.033 1.00 0.00 C ATOM 125 O LYS A 13 -5.568 11.557 -2.858 1.00 0.00 O ATOM 126 CB LYS A 13 -5.009 14.799 -1.960 1.00 0.00 C ATOM 127 CG LYS A 13 -5.779 16.083 -1.709 1.00 0.00 C ATOM 128 CD LYS A 13 -6.669 16.441 -2.887 1.00 0.00 C ATOM 129 CE LYS A 13 -8.043 15.802 -2.760 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.094 16.611 -3.441 1.00 0.00 N ATOM 0 H LYS A 13 -5.358 14.242 0.419 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.763 13.554 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.055 14.849 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.784 14.722 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.389 15.973 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.079 16.897 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.774 17.524 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.198 16.113 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.019 14.801 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.296 15.690 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.017 16.143 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.134 17.558 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.866 16.696 -4.452 1.00 0.00 H new ATOM 144 N VAL A 14 -3.821 12.078 -1.540 1.00 0.00 N ATOM 145 CA VAL A 14 -3.028 10.925 -1.949 1.00 0.00 C ATOM 146 C VAL A 14 -3.883 9.665 -2.020 1.00 0.00 C ATOM 147 O VAL A 14 -4.475 9.248 -1.024 1.00 0.00 O ATOM 148 CB VAL A 14 -1.853 10.681 -0.983 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.068 9.445 -1.399 1.00 0.00 C ATOM 150 CG2 VAL A 14 -0.949 11.902 -0.925 1.00 0.00 C ATOM 0 H VAL A 14 -3.365 12.682 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.634 11.149 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.255 10.508 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.242 9.288 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.724 8.575 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.675 9.586 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.124 11.712 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.553 12.109 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.521 12.762 -0.576 1.00 0.00 H new ATOM 160 N ARG A 15 -3.945 9.064 -3.203 1.00 0.00 N ATOM 161 CA ARG A 15 -4.729 7.852 -3.404 1.00 0.00 C ATOM 162 C ARG A 15 -3.839 6.695 -3.849 1.00 0.00 C ATOM 163 O ARG A 15 -2.846 6.897 -4.546 1.00 0.00 O ATOM 164 CB ARG A 15 -5.825 8.095 -4.444 1.00 0.00 C ATOM 165 CG ARG A 15 -6.989 7.122 -4.341 1.00 0.00 C ATOM 166 CD ARG A 15 -8.172 7.578 -5.182 1.00 0.00 C ATOM 167 NE ARG A 15 -7.825 7.693 -6.596 1.00 0.00 N ATOM 168 CZ ARG A 15 -8.533 8.400 -7.471 1.00 0.00 C ATOM 169 NH1 ARG A 15 -9.620 9.049 -7.079 1.00 0.00 N ATOM 170 NH2 ARG A 15 -8.153 8.456 -8.741 1.00 0.00 N ATOM 0 H ARG A 15 -3.462 9.397 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.191 7.587 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.201 9.112 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.390 8.024 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.668 6.133 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.296 7.029 -3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.993 6.871 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.527 8.541 -4.816 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.994 7.204 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.915 9.007 -6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.161 9.591 -7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.318 7.956 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.696 8.999 -9.412 1.00 0.00 H new ATOM 184 N ALA A 16 -4.203 5.484 -3.440 1.00 0.00 N ATOM 185 CA ALA A 16 -3.439 4.296 -3.797 1.00 0.00 C ATOM 186 C ALA A 16 -4.344 3.215 -4.378 1.00 0.00 C ATOM 187 O ALA A 16 -5.560 3.248 -4.199 1.00 0.00 O ATOM 188 CB ALA A 16 -2.692 3.764 -2.583 1.00 0.00 C ATOM 0 H ALA A 16 -5.022 5.300 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.715 4.577 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.126 2.876 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.009 4.528 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.406 3.506 -1.801 1.00 0.00 H new ATOM 222 N GLY A 20 -1.916 -5.591 -6.610 1.00 0.00 N ATOM 223 CA GLY A 20 -1.374 -6.393 -5.529 1.00 0.00 C ATOM 224 C GLY A 20 -2.091 -6.154 -4.214 1.00 0.00 C ATOM 225 O GLY A 20 -2.318 -7.088 -3.443 1.00 0.00 O ATOM 0 HA2 GLY A 20 -1.446 -7.448 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.315 -6.166 -5.408 1.00 0.00 H new ATOM 229 N LEU A 21 -2.448 -4.901 -3.957 1.00 0.00 N ATOM 230 CA LEU A 21 -3.143 -4.541 -2.726 1.00 0.00 C ATOM 231 C LEU A 21 -4.426 -5.351 -2.567 1.00 0.00 C ATOM 232 O LEU A 21 -4.832 -5.675 -1.452 1.00 0.00 O ATOM 233 CB LEU A 21 -3.466 -3.046 -2.718 1.00 0.00 C ATOM 234 CG LEU A 21 -2.266 -2.100 -2.769 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.730 -0.654 -2.867 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.380 -2.295 -1.546 1.00 0.00 C ATOM 0 H LEU A 21 -2.268 -4.117 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.485 -4.769 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.111 -2.829 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.041 -2.824 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.681 -2.334 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.862 0.005 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.322 -0.523 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.338 -0.407 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.531 -1.613 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.955 -2.088 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.019 -3.323 -1.519 1.00 0.00 H new ATOM 248 N GLU A 22 -5.056 -5.677 -3.691 1.00 0.00 N ATOM 249 CA GLU A 22 -6.293 -6.450 -3.676 1.00 0.00 C ATOM 250 C GLU A 22 -6.059 -7.836 -3.081 1.00 0.00 C ATOM 251 O GLU A 22 -6.921 -8.378 -2.389 1.00 0.00 O ATOM 252 CB GLU A 22 -6.857 -6.580 -5.093 1.00 0.00 C ATOM 253 CG GLU A 22 -5.908 -7.258 -6.066 1.00 0.00 C ATOM 254 CD GLU A 22 -6.564 -7.578 -7.395 1.00 0.00 C ATOM 255 OE1 GLU A 22 -7.728 -8.029 -7.388 1.00 0.00 O ATOM 256 OE2 GLU A 22 -5.914 -7.376 -8.442 1.00 0.00 O ATOM 0 H GLU A 22 -4.731 -5.418 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.015 -5.922 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.788 -7.145 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.102 -5.587 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.047 -6.612 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.533 -8.179 -5.619 1.00 0.00 H new ATOM 263 N ARG A 23 -4.890 -8.403 -3.356 1.00 0.00 N ATOM 264 CA ARG A 23 -4.544 -9.726 -2.850 1.00 0.00 C ATOM 265 C ARG A 23 -3.067 -10.030 -3.089 1.00 0.00 C ATOM 266 O ARG A 23 -2.473 -9.554 -4.056 1.00 0.00 O ATOM 267 CB ARG A 23 -5.410 -10.794 -3.519 1.00 0.00 C ATOM 268 CG ARG A 23 -5.659 -12.012 -2.645 1.00 0.00 C ATOM 269 CD ARG A 23 -6.022 -13.230 -3.478 1.00 0.00 C ATOM 270 NE ARG A 23 -6.425 -14.362 -2.646 1.00 0.00 N ATOM 271 CZ ARG A 23 -7.164 -15.373 -3.089 1.00 0.00 C ATOM 272 NH1 ARG A 23 -7.577 -15.394 -4.348 1.00 0.00 N ATOM 273 NH2 ARG A 23 -7.489 -16.366 -2.271 1.00 0.00 N ATOM 0 H ARG A 23 -4.166 -7.967 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.731 -9.737 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.368 -10.353 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.929 -11.113 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.768 -12.226 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.464 -11.798 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.833 -12.974 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.168 -13.517 -4.092 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.122 -14.376 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.328 -14.633 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.144 -16.171 -4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.171 -16.353 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.056 -17.142 -2.611 1.00 0.00 H new ATOM 287 N GLY A 24 -2.480 -10.825 -2.199 1.00 0.00 N ATOM 288 CA GLY A 24 -1.078 -11.178 -2.331 1.00 0.00 C ATOM 289 C GLY A 24 -0.850 -12.675 -2.262 1.00 0.00 C ATOM 290 O GLY A 24 -1.783 -13.442 -2.034 1.00 0.00 O ATOM 0 H GLY A 24 -2.950 -11.231 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.698 -10.799 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.507 -10.690 -1.541 1.00 0.00 H new ATOM 294 N GLU A 25 0.398 -13.090 -2.462 1.00 0.00 N ATOM 295 CA GLU A 25 0.745 -14.506 -2.423 1.00 0.00 C ATOM 296 C GLU A 25 1.951 -14.746 -1.520 1.00 0.00 C ATOM 297 O GLU A 25 2.720 -13.827 -1.235 1.00 0.00 O ATOM 298 CB GLU A 25 1.040 -15.019 -3.835 1.00 0.00 C ATOM 299 CG GLU A 25 -0.203 -15.427 -4.606 1.00 0.00 C ATOM 300 CD GLU A 25 -0.853 -14.260 -5.324 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.702 -13.114 -4.851 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.512 -14.493 -6.359 1.00 0.00 O ATOM 0 H GLU A 25 1.183 -12.467 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.106 -15.052 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.564 -14.243 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.713 -15.874 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.061 -16.195 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.922 -15.872 -3.919 1.00 0.00 H new ATOM 309 N ALA A 26 2.111 -15.987 -1.073 1.00 0.00 N ATOM 310 CA ALA A 26 3.224 -16.348 -0.204 1.00 0.00 C ATOM 311 C ALA A 26 4.493 -16.597 -1.011 1.00 0.00 C ATOM 312 O ALA A 26 4.521 -17.453 -1.895 1.00 0.00 O ATOM 313 CB ALA A 26 2.871 -17.578 0.620 1.00 0.00 C ATOM 0 H ALA A 26 1.484 -16.759 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 26 3.412 -15.513 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.711 -17.837 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.995 -17.366 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.654 -18.413 -0.047 1.00 0.00 H new ATOM 319 N GLY A 27 5.543 -15.842 -0.702 1.00 0.00 N ATOM 320 CA GLY A 27 6.801 -15.996 -1.409 1.00 0.00 C ATOM 321 C GLY A 27 6.741 -15.451 -2.823 1.00 0.00 C ATOM 322 O GLY A 27 7.425 -15.950 -3.717 1.00 0.00 O ATOM 0 H GLY A 27 5.545 -15.127 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.589 -15.483 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.070 -17.052 -1.441 1.00 0.00 H new ATOM 326 N VAL A 28 5.921 -14.426 -3.026 1.00 0.00 N ATOM 327 CA VAL A 28 5.774 -13.813 -4.341 1.00 0.00 C ATOM 328 C VAL A 28 5.927 -12.298 -4.262 1.00 0.00 C ATOM 329 O VAL A 28 5.268 -11.623 -3.472 1.00 0.00 O ATOM 330 CB VAL A 28 4.407 -14.148 -4.967 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.288 -13.531 -6.352 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.203 -15.654 -5.025 1.00 0.00 C ATOM 0 H VAL A 28 5.348 -14.002 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 28 6.564 -14.222 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 28 3.625 -13.723 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.316 -13.778 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.387 -12.448 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.076 -13.924 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.232 -15.873 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.990 -16.105 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.241 -16.065 -4.016 1.00 0.00 H new ATOM 342 N PRO A 29 6.816 -11.749 -5.102 1.00 0.00 N ATOM 343 CA PRO A 29 7.077 -10.307 -5.147 1.00 0.00 C ATOM 344 C PRO A 29 5.903 -9.525 -5.724 1.00 0.00 C ATOM 345 O PRO A 29 5.699 -9.497 -6.937 1.00 0.00 O ATOM 346 CB PRO A 29 8.296 -10.195 -6.065 1.00 0.00 C ATOM 347 CG PRO A 29 8.235 -11.409 -6.926 1.00 0.00 C ATOM 348 CD PRO A 29 7.637 -12.493 -6.072 1.00 0.00 C ATOM 0 HA PRO A 29 7.236 -9.890 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.259 -9.284 -6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.222 -10.163 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.626 -11.229 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.229 -11.690 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.035 -13.183 -6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.407 -13.085 -5.577 1.00 0.00 H new ATOM 356 N ALA A 30 5.134 -8.887 -4.847 1.00 0.00 N ATOM 357 CA ALA A 30 3.981 -8.102 -5.270 1.00 0.00 C ATOM 358 C ALA A 30 4.207 -6.615 -5.018 1.00 0.00 C ATOM 359 O ALA A 30 4.179 -6.160 -3.874 1.00 0.00 O ATOM 360 CB ALA A 30 2.726 -8.577 -4.552 1.00 0.00 C ATOM 0 H ALA A 30 5.289 -8.899 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 30 3.848 -8.246 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.873 -7.982 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.547 -9.626 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.858 -8.464 -3.476 1.00 0.00 H new ATOM 366 N GLU A 31 4.432 -5.864 -6.090 1.00 0.00 N ATOM 367 CA GLU A 31 4.664 -4.429 -5.983 1.00 0.00 C ATOM 368 C GLU A 31 3.503 -3.643 -6.586 1.00 0.00 C ATOM 369 O GLU A 31 2.849 -4.101 -7.523 1.00 0.00 O ATOM 370 CB GLU A 31 5.971 -4.047 -6.682 1.00 0.00 C ATOM 371 CG GLU A 31 6.066 -4.554 -8.111 1.00 0.00 C ATOM 372 CD GLU A 31 6.621 -5.962 -8.196 1.00 0.00 C ATOM 373 OE1 GLU A 31 5.821 -6.919 -8.132 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.855 -6.108 -8.325 1.00 0.00 O ATOM 0 H GLU A 31 4.459 -6.225 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 31 4.739 -4.178 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.069 -2.961 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.809 -4.442 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.076 -4.530 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.700 -3.882 -8.689 1.00 0.00 H new ATOM 381 N PHE A 32 3.254 -2.456 -6.042 1.00 0.00 N ATOM 382 CA PHE A 32 2.171 -1.607 -6.524 1.00 0.00 C ATOM 383 C PHE A 32 2.662 -0.180 -6.755 1.00 0.00 C ATOM 384 O PHE A 32 3.556 0.301 -6.058 1.00 0.00 O ATOM 385 CB PHE A 32 1.013 -1.605 -5.526 1.00 0.00 C ATOM 386 CG PHE A 32 1.429 -1.261 -4.124 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.451 0.057 -3.697 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.801 -2.256 -3.234 1.00 0.00 C ATOM 389 CE1 PHE A 32 1.834 0.377 -2.408 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.184 -1.942 -1.944 1.00 0.00 C ATOM 391 CZ PHE A 32 2.202 -0.624 -1.530 1.00 0.00 C ATOM 0 H PHE A 32 3.787 -2.061 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 32 1.821 -2.011 -7.474 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.259 -0.891 -5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.543 -2.588 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.165 0.844 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.791 -3.288 -3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.846 1.408 -2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.469 -2.727 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.503 -0.377 -0.523 1.00 0.00 H new ATOM 401 N SER A 33 2.070 0.491 -7.738 1.00 0.00 N ATOM 402 CA SER A 33 2.449 1.861 -8.065 1.00 0.00 C ATOM 403 C SER A 33 1.477 2.857 -7.439 1.00 0.00 C ATOM 404 O SER A 33 0.260 2.703 -7.545 1.00 0.00 O ATOM 405 CB SER A 33 2.489 2.054 -9.582 1.00 0.00 C ATOM 406 OG SER A 33 3.437 1.188 -10.181 1.00 0.00 O ATOM 0 H SER A 33 1.326 0.108 -8.322 1.00 0.00 H new ATOM 0 HA SER A 33 3.443 2.044 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.501 1.864 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.740 3.089 -9.814 1.00 0.00 H new ATOM 0 HG SER A 33 3.442 1.329 -11.151 1.00 0.00 H new ATOM 412 N ILE A 34 2.024 3.878 -6.788 1.00 0.00 N ATOM 413 CA ILE A 34 1.206 4.900 -6.146 1.00 0.00 C ATOM 414 C ILE A 34 1.273 6.217 -6.910 1.00 0.00 C ATOM 415 O ILE A 34 2.357 6.734 -7.182 1.00 0.00 O ATOM 416 CB ILE A 34 1.647 5.141 -4.691 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.658 3.823 -3.913 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.728 6.151 -4.019 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.222 3.951 -2.515 1.00 0.00 C ATOM 0 H ILE A 34 3.029 4.020 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 34 0.180 4.532 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 34 2.659 5.547 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.640 3.438 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.243 3.089 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.053 6.311 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.766 7.095 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.294 5.771 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.199 2.979 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.251 4.306 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.623 4.661 -1.945 1.00 0.00 H new ATOM 549 N LEU A 44 6.924 9.888 2.000 1.00 0.00 N ATOM 550 CA LEU A 44 6.008 8.758 2.107 1.00 0.00 C ATOM 551 C LEU A 44 6.599 7.659 2.985 1.00 0.00 C ATOM 552 O LEU A 44 7.796 7.374 2.920 1.00 0.00 O ATOM 553 CB LEU A 44 5.688 8.201 0.719 1.00 0.00 C ATOM 554 CG LEU A 44 4.510 8.850 -0.010 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.510 8.458 -1.479 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.195 8.458 0.649 1.00 0.00 C ATOM 0 HA LEU A 44 5.087 9.112 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.576 8.303 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.487 7.134 0.815 1.00 0.00 H new ATOM 0 HG LEU A 44 4.618 9.933 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.665 8.929 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.439 8.789 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.426 7.375 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.367 8.928 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.079 7.375 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.195 8.790 1.687 1.00 0.00 H new ATOM 568 N SER A 45 5.752 7.041 3.803 1.00 0.00 N ATOM 569 CA SER A 45 6.191 5.974 4.695 1.00 0.00 C ATOM 570 C SER A 45 5.291 4.751 4.561 1.00 0.00 C ATOM 571 O SER A 45 4.068 4.872 4.484 1.00 0.00 O ATOM 572 CB SER A 45 6.196 6.463 6.145 1.00 0.00 C ATOM 573 OG SER A 45 7.349 7.241 6.416 1.00 0.00 O ATOM 0 H SER A 45 4.758 7.261 3.866 1.00 0.00 H new ATOM 0 HA SER A 45 7.205 5.690 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.301 7.055 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.163 5.608 6.821 1.00 0.00 H new ATOM 0 HG SER A 45 7.328 7.543 7.348 1.00 0.00 H new ATOM 579 N ILE A 46 5.904 3.572 4.536 1.00 0.00 N ATOM 580 CA ILE A 46 5.159 2.326 4.413 1.00 0.00 C ATOM 581 C ILE A 46 5.699 1.266 5.367 1.00 0.00 C ATOM 582 O ILE A 46 6.911 1.106 5.512 1.00 0.00 O ATOM 583 CB ILE A 46 5.209 1.779 2.974 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.716 2.837 1.985 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.377 0.510 2.860 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.148 2.579 0.559 1.00 0.00 C ATOM 0 H ILE A 46 6.915 3.454 4.599 1.00 0.00 H new ATOM 0 HA ILE A 46 4.124 2.551 4.671 1.00 0.00 H new ATOM 0 HB ILE A 46 6.243 1.535 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.628 2.880 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.085 3.814 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.422 0.136 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.770 -0.245 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.342 0.729 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.763 3.368 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.237 2.565 0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.756 1.617 0.229 1.00 0.00 H new ATOM 598 N ALA A 47 4.791 0.543 6.014 1.00 0.00 N ATOM 599 CA ALA A 47 5.176 -0.505 6.952 1.00 0.00 C ATOM 600 C ALA A 47 4.292 -1.736 6.793 1.00 0.00 C ATOM 601 O ALA A 47 3.077 -1.670 6.988 1.00 0.00 O ATOM 602 CB ALA A 47 5.109 0.014 8.381 1.00 0.00 C ATOM 0 H ALA A 47 3.784 0.664 5.906 1.00 0.00 H new ATOM 0 HA ALA A 47 6.203 -0.796 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.399 -0.779 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.788 0.859 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.091 0.335 8.604 1.00 0.00 H new ATOM 608 N VAL A 48 4.907 -2.860 6.438 1.00 0.00 N ATOM 609 CA VAL A 48 4.174 -4.106 6.252 1.00 0.00 C ATOM 610 C VAL A 48 4.279 -4.995 7.488 1.00 0.00 C ATOM 611 O VAL A 48 5.326 -5.585 7.751 1.00 0.00 O ATOM 612 CB VAL A 48 4.692 -4.885 5.028 1.00 0.00 C ATOM 613 CG1 VAL A 48 4.013 -6.244 4.933 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.475 -4.082 3.755 1.00 0.00 C ATOM 0 H VAL A 48 5.911 -2.933 6.274 1.00 0.00 H new ATOM 0 HA VAL A 48 3.130 -3.838 6.088 1.00 0.00 H new ATOM 0 HB VAL A 48 5.763 -5.048 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.391 -6.780 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.224 -6.820 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.936 -6.107 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.847 -4.647 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.411 -3.886 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.012 -3.136 3.826 1.00 0.00 H new ATOM 624 N GLU A 49 3.188 -5.084 8.239 1.00 0.00 N ATOM 625 CA GLU A 49 3.158 -5.900 9.448 1.00 0.00 C ATOM 626 C GLU A 49 2.157 -7.043 9.308 1.00 0.00 C ATOM 627 O GLU A 49 1.165 -6.929 8.590 1.00 0.00 O ATOM 628 CB GLU A 49 2.801 -5.040 10.662 1.00 0.00 C ATOM 629 CG GLU A 49 3.811 -3.942 10.949 1.00 0.00 C ATOM 630 CD GLU A 49 3.982 -2.987 9.784 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.987 -2.338 9.397 1.00 0.00 O ATOM 632 OE2 GLU A 49 5.110 -2.889 9.259 1.00 0.00 O ATOM 0 H GLU A 49 2.313 -4.602 8.033 1.00 0.00 H new ATOM 0 HA GLU A 49 4.151 -6.325 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.822 -4.588 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.716 -5.682 11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.493 -3.382 11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.774 -4.393 11.188 1.00 0.00 H new ATOM 639 N GLY A 50 2.426 -8.146 10.001 1.00 0.00 N ATOM 640 CA GLY A 50 1.541 -9.294 9.940 1.00 0.00 C ATOM 641 C GLY A 50 1.994 -10.423 10.844 1.00 0.00 C ATOM 642 O GLY A 50 2.738 -10.219 11.804 1.00 0.00 O ATOM 0 H GLY A 50 3.241 -8.264 10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.534 -8.988 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.488 -9.654 8.913 1.00 0.00 H new ATOM 646 N PRO A 51 1.538 -11.648 10.541 1.00 0.00 N ATOM 647 CA PRO A 51 1.888 -12.838 11.323 1.00 0.00 C ATOM 648 C PRO A 51 3.350 -13.234 11.153 1.00 0.00 C ATOM 649 O PRO A 51 3.892 -14.000 11.951 1.00 0.00 O ATOM 650 CB PRO A 51 0.970 -13.921 10.749 1.00 0.00 C ATOM 651 CG PRO A 51 0.672 -13.468 9.361 1.00 0.00 C ATOM 652 CD PRO A 51 0.647 -11.965 9.413 1.00 0.00 C ATOM 0 HA PRO A 51 1.761 -12.675 12.393 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.458 -14.896 10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.058 -14.020 11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.431 -13.822 8.663 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.285 -13.863 9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.005 -11.525 8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.361 -11.585 9.578 1.00 0.00 H new ATOM 660 N SER A 52 3.985 -12.707 10.112 1.00 0.00 N ATOM 661 CA SER A 52 5.385 -13.008 9.837 1.00 0.00 C ATOM 662 C SER A 52 6.083 -11.812 9.198 1.00 0.00 C ATOM 663 O SER A 52 5.433 -10.873 8.735 1.00 0.00 O ATOM 664 CB SER A 52 5.495 -14.227 8.920 1.00 0.00 C ATOM 665 OG SER A 52 4.967 -15.385 9.543 1.00 0.00 O ATOM 0 H SER A 52 3.552 -12.069 9.444 1.00 0.00 H new ATOM 0 HA SER A 52 5.876 -13.229 10.784 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.960 -14.035 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.540 -14.396 8.658 1.00 0.00 H new ATOM 0 HG SER A 52 5.190 -16.175 9.007 1.00 0.00 H new ATOM 671 N LYS A 53 7.410 -11.851 9.175 1.00 0.00 N ATOM 672 CA LYS A 53 8.199 -10.772 8.592 1.00 0.00 C ATOM 673 C LYS A 53 8.073 -10.767 7.071 1.00 0.00 C ATOM 674 O LYS A 53 7.939 -11.818 6.447 1.00 0.00 O ATOM 675 CB LYS A 53 9.669 -10.914 8.993 1.00 0.00 C ATOM 676 CG LYS A 53 10.002 -10.266 10.324 1.00 0.00 C ATOM 677 CD LYS A 53 11.367 -10.699 10.830 1.00 0.00 C ATOM 678 CE LYS A 53 11.557 -10.346 12.298 1.00 0.00 C ATOM 679 NZ LYS A 53 10.619 -11.101 13.175 1.00 0.00 N ATOM 0 H LYS A 53 7.963 -12.620 9.554 1.00 0.00 H new ATOM 0 HA LYS A 53 7.815 -9.826 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.923 -11.973 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.293 -10.471 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.980 -9.181 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.241 -10.529 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.481 -11.775 10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.145 -10.219 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.584 -10.561 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.403 -9.276 12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.999 -11.135 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.694 -10.627 13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.508 -12.070 12.813 1.00 0.00 H new ATOM 693 N ALA A 54 8.118 -9.575 6.483 1.00 0.00 N ATOM 694 CA ALA A 54 8.014 -9.434 5.036 1.00 0.00 C ATOM 695 C ALA A 54 9.085 -8.494 4.497 1.00 0.00 C ATOM 696 O ALA A 54 9.393 -7.473 5.111 1.00 0.00 O ATOM 697 CB ALA A 54 6.628 -8.933 4.654 1.00 0.00 C ATOM 0 H ALA A 54 8.226 -8.694 6.986 1.00 0.00 H new ATOM 0 HA ALA A 54 8.171 -10.415 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.563 -8.832 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.877 -9.644 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.450 -7.964 5.120 1.00 0.00 H new ATOM 703 N GLU A 55 9.651 -8.846 3.347 1.00 0.00 N ATOM 704 CA GLU A 55 10.691 -8.032 2.727 1.00 0.00 C ATOM 705 C GLU A 55 10.090 -6.801 2.055 1.00 0.00 C ATOM 706 O GLU A 55 8.927 -6.807 1.651 1.00 0.00 O ATOM 707 CB GLU A 55 11.471 -8.857 1.702 1.00 0.00 C ATOM 708 CG GLU A 55 12.876 -8.338 1.445 1.00 0.00 C ATOM 709 CD GLU A 55 13.444 -8.821 0.125 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.284 -10.020 -0.188 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.047 -8.000 -0.597 1.00 0.00 O ATOM 0 H GLU A 55 9.408 -9.688 2.826 1.00 0.00 H new ATOM 0 HA GLU A 55 11.373 -7.700 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.532 -9.889 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.919 -8.869 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.864 -7.248 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.531 -8.656 2.256 1.00 0.00 H new ATOM 718 N ILE A 56 10.891 -5.746 1.942 1.00 0.00 N ATOM 719 CA ILE A 56 10.438 -4.509 1.319 1.00 0.00 C ATOM 720 C ILE A 56 11.559 -3.855 0.517 1.00 0.00 C ATOM 721 O ILE A 56 12.686 -3.723 0.997 1.00 0.00 O ATOM 722 CB ILE A 56 9.923 -3.506 2.369 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.708 -4.082 3.101 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.570 -2.183 1.708 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.427 -3.408 4.426 1.00 0.00 C ATOM 0 H ILE A 56 11.855 -5.724 2.273 1.00 0.00 H new ATOM 0 HA ILE A 56 9.620 -4.774 0.649 1.00 0.00 H new ATOM 0 HB ILE A 56 10.713 -3.326 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.830 -3.989 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.867 -5.147 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.208 -1.485 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.456 -1.769 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.793 -2.345 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.553 -3.866 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.289 -3.524 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.236 -2.348 4.262 1.00 0.00 H new ATOM 737 N THR A 57 11.242 -3.446 -0.707 1.00 0.00 N ATOM 738 CA THR A 57 12.222 -2.806 -1.576 1.00 0.00 C ATOM 739 C THR A 57 11.720 -1.452 -2.066 1.00 0.00 C ATOM 740 O THR A 57 10.708 -1.369 -2.762 1.00 0.00 O ATOM 741 CB THR A 57 12.554 -3.688 -2.794 1.00 0.00 C ATOM 742 OG1 THR A 57 12.992 -4.980 -2.358 1.00 0.00 O ATOM 743 CG2 THR A 57 13.634 -3.045 -3.651 1.00 0.00 C ATOM 0 H THR A 57 10.314 -3.546 -1.119 1.00 0.00 H new ATOM 0 HA THR A 57 13.125 -2.664 -0.983 1.00 0.00 H new ATOM 0 HB THR A 57 11.651 -3.793 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.200 -5.536 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.851 -3.687 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.287 -2.074 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.539 -2.913 -3.057 1.00 0.00 H new ATOM 884 N VAL A 68 7.240 0.208 -5.082 1.00 0.00 N ATOM 885 CA VAL A 68 7.478 -0.488 -3.822 1.00 0.00 C ATOM 886 C VAL A 68 7.069 -1.954 -3.918 1.00 0.00 C ATOM 887 O VAL A 68 5.914 -2.268 -4.206 1.00 0.00 O ATOM 888 CB VAL A 68 6.712 0.173 -2.662 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.011 -0.537 -1.350 1.00 0.00 C ATOM 890 CG2 VAL A 68 7.058 1.652 -2.568 1.00 0.00 C ATOM 0 HA VAL A 68 8.548 -0.425 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 68 5.644 0.085 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.460 -0.055 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.707 -1.581 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.080 -0.484 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.507 2.103 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.128 1.765 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.787 2.149 -3.499 1.00 0.00 H new ATOM 900 N SER A 69 8.022 -2.846 -3.674 1.00 0.00 N ATOM 901 CA SER A 69 7.762 -4.279 -3.737 1.00 0.00 C ATOM 902 C SER A 69 7.878 -4.913 -2.354 1.00 0.00 C ATOM 903 O SER A 69 8.673 -4.474 -1.522 1.00 0.00 O ATOM 904 CB SER A 69 8.736 -4.955 -4.703 1.00 0.00 C ATOM 905 OG SER A 69 9.939 -5.317 -4.045 1.00 0.00 O ATOM 0 H SER A 69 8.982 -2.602 -3.431 1.00 0.00 H new ATOM 0 HA SER A 69 6.744 -4.422 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.271 -5.843 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.959 -4.281 -5.530 1.00 0.00 H new ATOM 0 HG SER A 69 10.544 -5.749 -4.684 1.00 0.00 H new ATOM 911 N TYR A 70 7.079 -5.948 -2.115 1.00 0.00 N ATOM 912 CA TYR A 70 7.089 -6.641 -0.833 1.00 0.00 C ATOM 913 C TYR A 70 6.837 -8.134 -1.020 1.00 0.00 C ATOM 914 O TYR A 70 5.983 -8.537 -1.811 1.00 0.00 O ATOM 915 CB TYR A 70 6.033 -6.047 0.099 1.00 0.00 C ATOM 916 CG TYR A 70 4.614 -6.379 -0.302 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.003 -5.731 -1.369 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.884 -7.342 0.384 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.707 -6.030 -1.740 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.587 -7.649 0.020 1.00 0.00 C ATOM 921 CZ TYR A 70 2.002 -6.990 -1.043 1.00 0.00 C ATOM 922 OH TYR A 70 0.711 -7.293 -1.409 1.00 0.00 O ATOM 0 H TYR A 70 6.417 -6.325 -2.793 1.00 0.00 H new ATOM 0 HA TYR A 70 8.074 -6.510 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.209 -6.410 1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.150 -4.964 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.552 -4.980 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.338 -7.859 1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.248 -5.515 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.034 -8.400 0.564 1.00 0.00 H new ATOM 0 HH TYR A 70 0.617 -8.264 -1.501 1.00 0.00 H new ATOM 932 N ILE A 71 7.586 -8.950 -0.285 1.00 0.00 N ATOM 933 CA ILE A 71 7.443 -10.398 -0.367 1.00 0.00 C ATOM 934 C ILE A 71 7.128 -10.998 1.000 1.00 0.00 C ATOM 935 O ILE A 71 7.844 -10.763 1.972 1.00 0.00 O ATOM 936 CB ILE A 71 8.718 -11.058 -0.923 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.840 -10.799 -2.426 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.708 -12.553 -0.637 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.216 -11.091 -2.980 1.00 0.00 C ATOM 0 H ILE A 71 8.297 -8.633 0.373 1.00 0.00 H new ATOM 0 HA ILE A 71 6.615 -10.596 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 71 9.583 -10.618 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.108 -11.411 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.589 -9.758 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.616 -13.006 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.664 -12.717 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.838 -13.008 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.229 -10.885 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.951 -10.460 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.462 -12.139 -2.809 1.00 0.00 H new ATOM 951 N ALA A 72 6.052 -11.775 1.064 1.00 0.00 N ATOM 952 CA ALA A 72 5.644 -12.412 2.310 1.00 0.00 C ATOM 953 C ALA A 72 5.957 -13.905 2.292 1.00 0.00 C ATOM 954 O ALA A 72 5.207 -14.699 1.727 1.00 0.00 O ATOM 955 CB ALA A 72 4.160 -12.187 2.557 1.00 0.00 C ATOM 0 H ALA A 72 5.447 -11.978 0.268 1.00 0.00 H new ATOM 0 HA ALA A 72 6.210 -11.957 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.870 -12.668 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.960 -11.117 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.586 -12.614 1.735 1.00 0.00 H new ATOM 961 N GLN A 73 7.072 -14.277 2.914 1.00 0.00 N ATOM 962 CA GLN A 73 7.484 -15.675 2.968 1.00 0.00 C ATOM 963 C GLN A 73 6.308 -16.577 3.326 1.00 0.00 C ATOM 964 O GLN A 73 6.053 -17.576 2.654 1.00 0.00 O ATOM 965 CB GLN A 73 8.611 -15.856 3.987 1.00 0.00 C ATOM 966 CG GLN A 73 9.842 -15.015 3.690 1.00 0.00 C ATOM 967 CD GLN A 73 10.310 -15.151 2.255 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.185 -16.216 1.647 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.851 -14.072 1.703 1.00 0.00 N ATOM 0 H GLN A 73 7.705 -13.631 3.386 1.00 0.00 H new ATOM 0 HA GLN A 73 7.847 -15.959 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.237 -15.600 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.898 -16.907 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.621 -13.968 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.649 -15.310 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.935 -13.211 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.183 -14.104 0.739 1.00 0.00 H new ATOM 978 N GLU A 74 5.596 -16.218 4.390 1.00 0.00 N ATOM 979 CA GLU A 74 4.448 -16.997 4.838 1.00 0.00 C ATOM 980 C GLU A 74 3.142 -16.287 4.493 1.00 0.00 C ATOM 981 O GLU A 74 3.043 -15.060 4.532 1.00 0.00 O ATOM 982 CB GLU A 74 4.526 -17.241 6.346 1.00 0.00 C ATOM 983 CG GLU A 74 5.770 -17.999 6.777 1.00 0.00 C ATOM 984 CD GLU A 74 5.822 -19.405 6.210 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.141 -20.293 6.765 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.542 -19.617 5.212 1.00 0.00 O ATOM 0 H GLU A 74 5.794 -15.394 4.957 1.00 0.00 H new ATOM 0 HA GLU A 74 4.468 -17.956 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.498 -16.282 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.644 -17.798 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.655 -17.449 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.802 -18.049 7.865 1.00 0.00 H new ATOM 993 N PRO A 75 2.112 -17.076 4.148 1.00 0.00 N ATOM 994 CA PRO A 75 0.794 -16.545 3.789 1.00 0.00 C ATOM 995 C PRO A 75 0.063 -15.952 4.988 1.00 0.00 C ATOM 996 O PRO A 75 0.281 -16.363 6.127 1.00 0.00 O ATOM 997 CB PRO A 75 0.048 -17.774 3.264 1.00 0.00 C ATOM 998 CG PRO A 75 0.713 -18.932 3.924 1.00 0.00 C ATOM 999 CD PRO A 75 2.159 -18.546 4.081 1.00 0.00 C ATOM 0 HA PRO A 75 0.865 -15.731 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.012 -17.731 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.116 -17.845 2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.258 -19.143 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.613 -19.835 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.594 -18.976 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.761 -18.891 3.241 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.807 -14.981 4.724 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.557 -14.346 5.792 1.00 0.00 C ATOM 1009 C GLY A 76 -1.996 -12.940 5.437 1.00 0.00 C ATOM 1010 O GLY A 76 -1.668 -12.433 4.365 1.00 0.00 O ATOM 0 H GLY A 76 -1.005 -14.623 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.435 -14.949 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.944 -14.315 6.693 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.741 -12.308 6.338 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.228 -10.951 6.112 1.00 0.00 C ATOM 1016 C ASN A 77 -2.208 -9.922 6.586 1.00 0.00 C ATOM 1017 O ASN A 77 -2.151 -9.587 7.771 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.559 -10.738 6.836 1.00 0.00 C ATOM 1019 CG ASN A 77 -5.639 -11.686 6.352 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -5.353 -12.686 5.692 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -6.888 -11.376 6.678 1.00 0.00 N ATOM 0 H ASN A 77 -3.021 -12.713 7.231 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.380 -10.819 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.413 -10.875 7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.889 -9.710 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.657 -11.976 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.079 -10.537 7.226 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.402 -9.422 5.655 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.383 -8.432 5.978 1.00 0.00 C ATOM 1030 C TYR A 78 -0.950 -7.018 5.892 1.00 0.00 C ATOM 1031 O TYR A 78 -1.350 -6.561 4.821 1.00 0.00 O ATOM 1032 CB TYR A 78 0.812 -8.571 5.032 1.00 0.00 C ATOM 1033 CG TYR A 78 1.669 -9.784 5.315 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.232 -11.061 4.987 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.918 -9.653 5.911 1.00 0.00 C ATOM 1036 CE1 TYR A 78 2.012 -12.172 5.245 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.705 -10.757 6.171 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.247 -12.015 5.837 1.00 0.00 C ATOM 1039 OH TYR A 78 4.029 -13.119 6.094 1.00 0.00 O ATOM 0 H TYR A 78 -1.435 -9.687 4.671 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.052 -8.611 7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.448 -8.625 4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.429 -7.675 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.265 -11.188 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.279 -8.670 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.656 -13.158 4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.674 -10.637 6.633 1.00 0.00 H new ATOM 0 HH TYR A 78 3.815 -13.828 5.452 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.981 -6.329 7.029 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.498 -4.968 7.084 1.00 0.00 C ATOM 1051 C GLU A 79 -0.401 -3.955 6.773 1.00 0.00 C ATOM 1052 O GLU A 79 0.565 -3.818 7.525 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.096 -4.681 8.463 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.223 -3.663 8.437 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.435 -2.992 9.781 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.645 -2.087 10.122 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.388 -3.372 10.491 1.00 0.00 O ATOM 0 H GLU A 79 -0.654 -6.692 7.924 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.279 -4.874 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.469 -5.612 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.308 -4.321 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.004 -2.903 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.146 -4.156 8.132 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.554 -3.248 5.657 1.00 0.00 N ATOM 1065 CA VAL A 80 0.423 -2.247 5.246 1.00 0.00 C ATOM 1066 C VAL A 80 -0.013 -0.848 5.665 1.00 0.00 C ATOM 1067 O VAL A 80 -0.942 -0.278 5.094 1.00 0.00 O ATOM 1068 CB VAL A 80 0.640 -2.269 3.721 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.767 -1.326 3.329 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.928 -3.685 3.245 1.00 0.00 C ATOM 0 H VAL A 80 -1.345 -3.350 5.022 1.00 0.00 H new ATOM 0 HA VAL A 80 1.360 -2.496 5.744 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.274 -1.926 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.906 -1.355 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.515 -0.311 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.689 -1.636 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.079 -3.682 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.827 -4.058 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.085 -4.330 3.492 1.00 0.00 H new ATOM 1080 N SER A 81 0.664 -0.300 6.669 1.00 0.00 N ATOM 1081 CA SER A 81 0.345 1.033 7.169 1.00 0.00 C ATOM 1082 C SER A 81 1.087 2.103 6.374 1.00 0.00 C ATOM 1083 O SER A 81 2.316 2.179 6.410 1.00 0.00 O ATOM 1084 CB SER A 81 0.703 1.143 8.652 1.00 0.00 C ATOM 1085 OG SER A 81 -0.216 0.421 9.453 1.00 0.00 O ATOM 0 H SER A 81 1.437 -0.758 7.152 1.00 0.00 H new ATOM 0 HA SER A 81 -0.726 1.193 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.711 0.761 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.707 2.191 8.952 1.00 0.00 H new ATOM 0 HG SER A 81 0.036 0.506 10.396 1.00 0.00 H new ATOM 1091 N ILE A 82 0.331 2.929 5.656 1.00 0.00 N ATOM 1092 CA ILE A 82 0.916 3.995 4.854 1.00 0.00 C ATOM 1093 C ILE A 82 0.637 5.362 5.469 1.00 0.00 C ATOM 1094 O ILE A 82 -0.488 5.654 5.878 1.00 0.00 O ATOM 1095 CB ILE A 82 0.377 3.975 3.412 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.694 2.634 2.745 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.967 5.124 2.609 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.053 2.469 1.385 1.00 0.00 C ATOM 0 H ILE A 82 -0.687 2.879 5.614 1.00 0.00 H new ATOM 0 HA ILE A 82 1.992 3.820 4.834 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.706 4.098 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.775 2.535 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.360 1.826 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.576 5.096 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.696 6.071 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.053 5.030 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.321 1.496 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.031 2.536 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.406 3.256 0.718 1.00 0.00 H new ATOM 1110 N LYS A 83 1.667 6.199 5.531 1.00 0.00 N ATOM 1111 CA LYS A 83 1.535 7.538 6.093 1.00 0.00 C ATOM 1112 C LYS A 83 2.143 8.581 5.163 1.00 0.00 C ATOM 1113 O LYS A 83 3.307 8.477 4.774 1.00 0.00 O ATOM 1114 CB LYS A 83 2.209 7.606 7.465 1.00 0.00 C ATOM 1115 CG LYS A 83 1.293 7.216 8.613 1.00 0.00 C ATOM 1116 CD LYS A 83 1.675 7.931 9.898 1.00 0.00 C ATOM 1117 CE LYS A 83 2.782 7.196 10.638 1.00 0.00 C ATOM 1118 NZ LYS A 83 4.133 7.613 10.169 1.00 0.00 N ATOM 0 H LYS A 83 2.604 5.973 5.198 1.00 0.00 H new ATOM 0 HA LYS A 83 0.473 7.754 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.079 6.949 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.575 8.619 7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.262 7.456 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.340 6.138 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.001 8.945 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.800 8.016 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.693 7.387 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.663 6.122 10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.689 6.771 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.037 8.226 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.618 8.134 10.927 1.00 0.00 H new ATOM 1132 N PHE A 84 1.351 9.589 4.811 1.00 0.00 N ATOM 1133 CA PHE A 84 1.813 10.652 3.927 1.00 0.00 C ATOM 1134 C PHE A 84 2.084 11.932 4.711 1.00 0.00 C ATOM 1135 O PHE A 84 1.158 12.607 5.159 1.00 0.00 O ATOM 1136 CB PHE A 84 0.778 10.921 2.833 1.00 0.00 C ATOM 1137 CG PHE A 84 0.966 12.240 2.139 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.839 12.357 1.070 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.269 13.362 2.557 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.015 13.570 0.432 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.441 14.578 1.922 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.314 14.681 0.857 1.00 0.00 C ATOM 0 H PHE A 84 0.386 9.691 5.125 1.00 0.00 H new ATOM 0 HA PHE A 84 2.744 10.326 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.826 10.121 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.219 10.890 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.388 11.491 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.416 13.286 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.701 13.649 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.107 15.446 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.448 15.629 0.357 1.00 0.00 H new ATOM 1152 N ASN A 85 3.361 12.261 4.874 1.00 0.00 N ATOM 1153 CA ASN A 85 3.756 13.459 5.605 1.00 0.00 C ATOM 1154 C ASN A 85 3.324 13.372 7.066 1.00 0.00 C ATOM 1155 O ASN A 85 2.885 14.360 7.655 1.00 0.00 O ATOM 1156 CB ASN A 85 3.146 14.703 4.954 1.00 0.00 C ATOM 1157 CG ASN A 85 3.601 14.887 3.520 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.777 13.916 2.783 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.794 16.137 3.116 1.00 0.00 N ATOM 0 H ASN A 85 4.141 11.714 4.509 1.00 0.00 H new ATOM 0 HA ASN A 85 4.843 13.534 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.059 14.628 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.419 15.584 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.100 16.323 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.636 16.911 3.761 1.00 0.00 H new ATOM 1166 N ASP A 86 3.452 12.183 7.645 1.00 0.00 N ATOM 1167 CA ASP A 86 3.078 11.967 9.037 1.00 0.00 C ATOM 1168 C ASP A 86 1.564 12.042 9.211 1.00 0.00 C ATOM 1169 O ASP A 86 1.071 12.503 10.239 1.00 0.00 O ATOM 1170 CB ASP A 86 3.759 12.998 9.938 1.00 0.00 C ATOM 1171 CG ASP A 86 3.753 12.587 11.397 1.00 0.00 C ATOM 1172 OD1 ASP A 86 4.138 11.435 11.690 1.00 0.00 O ATOM 1173 OD2 ASP A 86 3.363 13.416 12.246 1.00 0.00 O ATOM 0 H ASP A 86 3.812 11.354 7.172 1.00 0.00 H new ATOM 0 HA ASP A 86 3.410 10.970 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.788 13.141 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.254 13.958 9.832 1.00 0.00 H new ATOM 1178 N GLU A 87 0.834 11.589 8.197 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.623 11.607 8.237 1.00 0.00 C ATOM 1180 C GLU A 87 -1.201 10.314 7.670 1.00 0.00 C ATOM 1181 O GLU A 87 -0.753 9.823 6.634 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.163 12.805 7.453 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.300 14.067 8.288 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.076 15.158 7.574 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -1.630 15.594 6.493 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -3.130 15.573 8.099 1.00 0.00 O ATOM 0 H GLU A 87 1.228 11.205 7.338 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.929 11.695 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.500 13.006 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.137 12.547 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.800 13.825 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.308 14.439 8.543 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.197 9.765 8.358 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.836 8.528 7.924 1.00 0.00 C ATOM 1195 C HIS A 88 -3.963 8.816 6.936 1.00 0.00 C ATOM 1196 O HIS A 88 -4.979 9.412 7.296 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.382 7.761 9.128 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.408 6.781 9.707 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.384 5.448 9.356 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.419 6.947 10.615 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.424 4.835 10.024 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.822 5.723 10.795 1.00 0.00 N ATOM 0 H HIS A 88 -2.579 10.157 9.218 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.085 7.917 7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.671 8.473 9.901 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.286 7.229 8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.149 7.870 11.107 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.174 3.787 9.952 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.041 5.531 11.422 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.775 8.390 5.691 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.776 8.603 4.654 1.00 0.00 C ATOM 1212 C ILE A 89 -6.026 7.770 4.916 1.00 0.00 C ATOM 1213 O ILE A 89 -6.001 6.782 5.652 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.223 8.252 3.260 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.209 7.111 3.361 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.589 9.477 2.617 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.984 6.385 2.053 1.00 0.00 C ATOM 0 H ILE A 89 -2.940 7.896 5.377 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.036 9.661 4.679 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.050 7.923 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.258 7.511 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.552 6.397 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.203 9.212 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.338 10.263 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.772 9.835 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.254 5.589 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.925 5.955 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.611 7.087 1.307 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.147 8.175 4.300 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.428 7.478 4.450 1.00 0.00 C ATOM 1231 C PRO A 90 -8.430 6.114 3.770 1.00 0.00 C ATOM 1232 O PRO A 90 -9.440 5.412 3.770 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.425 8.418 3.767 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.608 9.187 2.786 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.249 9.343 3.409 1.00 0.00 C ATOM 0 HA PRO A 90 -8.661 7.274 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.219 7.860 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.904 9.080 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.543 8.659 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.057 10.159 2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.460 9.345 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.165 10.279 3.962 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.291 5.746 3.189 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.164 4.465 2.505 1.00 0.00 C ATOM 1245 C GLU A 91 -6.204 3.542 3.250 1.00 0.00 C ATOM 1246 O GLU A 91 -6.104 2.354 2.945 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.675 4.675 1.070 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.650 5.453 0.202 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.823 4.609 -0.258 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -9.213 3.681 0.479 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -9.351 4.879 -1.357 1.00 0.00 O ATOM 0 H GLU A 91 -6.445 6.316 3.179 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.148 3.996 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.722 5.203 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.490 3.703 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.022 6.312 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.124 5.843 -0.669 1.00 0.00 H new ATOM 1258 N SER A 92 -5.499 4.099 4.231 1.00 0.00 N ATOM 1259 CA SER A 92 -4.544 3.329 5.018 1.00 0.00 C ATOM 1260 C SER A 92 -4.979 3.252 6.478 1.00 0.00 C ATOM 1261 O SER A 92 -5.699 4.114 6.983 1.00 0.00 O ATOM 1262 CB SER A 92 -3.150 3.953 4.922 1.00 0.00 C ATOM 1263 OG SER A 92 -2.943 4.898 5.957 1.00 0.00 O ATOM 0 H SER A 92 -5.572 5.081 4.499 1.00 0.00 H new ATOM 0 HA SER A 92 -4.510 2.318 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.393 3.171 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.031 4.438 3.953 1.00 0.00 H new ATOM 0 HG SER A 92 -1.982 5.006 6.114 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.534 2.196 7.173 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.677 1.163 6.582 1.00 0.00 C ATOM 1271 C PRO A 93 -4.422 0.305 5.565 1.00 0.00 C ATOM 1272 O PRO A 93 -5.630 0.449 5.383 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.254 0.319 7.788 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.339 0.520 8.789 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.832 1.926 8.590 1.00 0.00 C ATOM 0 HA PRO A 93 -2.840 1.593 6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.153 -0.733 7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.289 0.643 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.144 -0.200 8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.965 0.377 9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.898 2.011 8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.321 2.628 9.249 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.693 -0.589 4.907 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.284 -1.471 3.907 1.00 0.00 C ATOM 1285 C TYR A 94 -4.228 -2.926 4.362 1.00 0.00 C ATOM 1286 O TYR A 94 -3.325 -3.324 5.100 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.562 -1.315 2.568 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.743 0.047 1.938 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.146 1.174 2.488 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.511 0.207 0.791 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.310 2.420 1.915 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.679 1.450 0.210 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.076 2.553 0.777 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.241 3.793 0.202 1.00 0.00 O ATOM 0 H TYR A 94 -2.692 -0.722 5.048 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.329 -1.188 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.498 -1.500 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.925 -2.076 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.543 1.074 3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.985 -0.655 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.840 3.286 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.278 1.557 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.442 4.337 0.362 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.197 -3.717 3.916 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.260 -5.129 4.275 1.00 0.00 C ATOM 1306 C LEU A 95 -5.132 -6.012 3.037 1.00 0.00 C ATOM 1307 O LEU A 95 -6.003 -6.010 2.168 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.571 -5.435 4.999 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.715 -6.849 5.562 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.439 -7.272 6.273 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.906 -6.930 6.504 1.00 0.00 C ATOM 0 H LEU A 95 -5.951 -3.404 3.304 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.425 -5.345 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.683 -4.726 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.394 -5.256 4.308 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.888 -7.534 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.560 -8.281 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.607 -7.255 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.234 -6.584 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.993 -7.944 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.764 -6.233 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.816 -6.671 5.963 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.040 -6.767 2.965 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.799 -7.657 1.836 1.00 0.00 C ATOM 1325 C VAL A 96 -3.740 -9.112 2.287 1.00 0.00 C ATOM 1326 O VAL A 96 -2.742 -9.577 2.838 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.487 -7.302 1.111 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.432 -7.974 -0.253 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.345 -5.793 0.977 1.00 0.00 C ATOM 0 H VAL A 96 -3.308 -6.780 3.676 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.633 -7.527 1.146 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.652 -7.672 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.498 -7.712 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.485 -9.056 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.273 -7.637 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.413 -5.560 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.184 -5.398 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.336 -5.339 1.968 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.834 -9.851 2.047 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.930 -11.265 2.419 1.00 0.00 C ATOM 1341 C PRO A 97 -4.025 -12.152 1.570 1.00 0.00 C ATOM 1342 O PRO A 97 -4.436 -12.654 0.523 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.401 -11.600 2.160 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.836 -10.621 1.126 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.059 -9.362 1.393 1.00 0.00 C ATOM 0 HA PRO A 97 -4.613 -11.438 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.518 -12.625 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.995 -11.505 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.635 -10.998 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.909 -10.438 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.836 -8.824 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.612 -8.677 2.036 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.792 -12.342 2.027 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.829 -13.169 1.310 1.00 0.00 C ATOM 1355 C VAL A 98 -2.116 -14.651 1.518 1.00 0.00 C ATOM 1356 O VAL A 98 -2.334 -15.100 2.644 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.387 -12.869 1.758 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.608 -13.651 0.915 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.106 -11.376 1.683 1.00 0.00 C ATOM 0 H VAL A 98 -2.436 -11.934 2.891 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.930 -12.927 0.252 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.274 -13.185 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.622 -13.426 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.419 -14.719 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.498 -13.370 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.918 -11.182 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.237 -11.032 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.797 -10.842 2.335 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.115 -15.407 0.425 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.374 -16.840 0.489 1.00 0.00 C ATOM 1371 C ILE A 99 -1.285 -17.629 -0.231 1.00 0.00 C ATOM 1372 O ILE A 99 -0.581 -17.094 -1.088 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.740 -17.193 -0.129 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.760 -16.837 -1.616 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.857 -16.471 0.609 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.672 -17.720 -2.438 1.00 0.00 C ATOM 0 H ILE A 99 -1.938 -15.051 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.379 -17.112 1.544 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.900 -18.267 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.075 -15.799 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.747 -16.907 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.816 -16.730 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.853 -16.770 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.703 -15.394 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.635 -17.409 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.345 -18.757 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.694 -17.631 -2.069 1.00 0.00 H new ATOM 1388 N ALA A 100 -1.153 -18.903 0.122 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.152 -19.766 -0.493 1.00 0.00 C ATOM 1390 C ALA A 100 -0.646 -20.318 -1.826 1.00 0.00 C ATOM 1391 O ALA A 100 -1.620 -21.070 -1.891 1.00 0.00 O ATOM 1392 CB ALA A 100 0.214 -20.903 0.448 1.00 0.00 C ATOM 0 H ALA A 100 -1.727 -19.361 0.831 1.00 0.00 H new ATOM 0 HA ALA A 100 0.738 -19.167 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.962 -21.539 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.618 -20.493 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.676 -21.492 0.670 1.00 0.00 H new ATOM 1398 N PRO A 101 0.037 -19.936 -2.916 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.317 -20.382 -4.267 1.00 0.00 C ATOM 1400 C PRO A 101 -0.027 -21.863 -4.484 1.00 0.00 C ATOM 1401 O PRO A 101 1.071 -22.338 -4.194 1.00 0.00 O ATOM 1402 CB PRO A 101 0.577 -19.524 -5.167 1.00 0.00 C ATOM 1403 CG PRO A 101 1.741 -19.163 -4.312 1.00 0.00 C ATOM 1404 CD PRO A 101 1.206 -19.041 -2.912 1.00 0.00 C ATOM 0 HA PRO A 101 -1.382 -20.270 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.892 -20.075 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.051 -18.635 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.517 -19.926 -4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.191 -18.226 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.945 -19.347 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.926 -18.014 -2.677 1.00 0.00 H new