USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=10 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= -1.25 X(o=-0.69,f=-0.45) USER MOD Set 1.2: A 92 SER OG : rot 161:sc= 0.558 USER MOD Single : A 12 HIS : no HD1:sc= -0.889 K(o=-0.89,f=-1.6) 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 114:sc= 0.773 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 170:sc= -0.813 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0394 USER MOD Single : A 73 GLN : amide:sc= -0.0915 X(o=-0.092,f=-0.092) USER MOD Single : A 77 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.3!) USER MOD Single : A 78 TYR OH : rot 51:sc= 1.25 USER MOD Single : A 81 SER OG : rot 25:sc= -1.26 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.48! C(o=-1.5!,f=-5.4!) USER MOD Single : A 94 TYR OH : rot 4:sc= -3.04 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.531 17.263 0.790 1.00 0.00 N ATOM 89 CA GLY A 10 -2.840 16.584 1.870 1.00 0.00 C ATOM 90 C GLY A 10 -2.902 15.075 1.740 1.00 0.00 C ATOM 91 O GLY A 10 -2.630 14.526 0.672 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.797 16.902 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.279 16.882 2.822 1.00 0.00 H new ATOM 95 N ALA A 11 -3.259 14.403 2.829 1.00 0.00 N ATOM 96 CA ALA A 11 -3.356 12.950 2.833 1.00 0.00 C ATOM 97 C ALA A 11 -4.622 12.482 2.123 1.00 0.00 C ATOM 98 O ALA A 11 -4.558 11.775 1.116 1.00 0.00 O ATOM 99 CB ALA A 11 -3.324 12.421 4.259 1.00 0.00 C ATOM 0 H ALA A 11 -3.486 14.843 3.721 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.498 12.553 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.397 11.334 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.389 12.716 4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.163 12.834 4.819 1.00 0.00 H new ATOM 105 N HIS A 12 -5.775 12.880 2.653 1.00 0.00 N ATOM 106 CA HIS A 12 -7.057 12.502 2.070 1.00 0.00 C ATOM 107 C HIS A 12 -6.999 12.561 0.546 1.00 0.00 C ATOM 108 O HIS A 12 -7.740 11.858 -0.141 1.00 0.00 O ATOM 109 CB HIS A 12 -8.167 13.419 2.586 1.00 0.00 C ATOM 110 CG HIS A 12 -7.938 14.866 2.280 1.00 0.00 C ATOM 111 ND1 HIS A 12 -7.002 15.637 2.940 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.527 15.685 1.378 1.00 0.00 C ATOM 113 CE1 HIS A 12 -7.029 16.867 2.457 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.945 16.922 1.509 1.00 0.00 N ATOM 0 H HIS A 12 -5.847 13.465 3.486 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.276 11.477 2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.116 13.109 2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.258 13.294 3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.309 15.416 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.407 17.688 2.783 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.182 17.749 0.962 1.00 0.00 H new ATOM 122 N LYS A 13 -6.115 13.405 0.025 1.00 0.00 N ATOM 123 CA LYS A 13 -5.959 13.557 -1.417 1.00 0.00 C ATOM 124 C LYS A 13 -5.136 12.413 -1.998 1.00 0.00 C ATOM 125 O LYS A 13 -5.484 11.848 -3.035 1.00 0.00 O ATOM 126 CB LYS A 13 -5.292 14.896 -1.740 1.00 0.00 C ATOM 127 CG LYS A 13 -6.148 16.101 -1.394 1.00 0.00 C ATOM 128 CD LYS A 13 -7.082 16.469 -2.536 1.00 0.00 C ATOM 129 CE LYS A 13 -8.376 15.673 -2.476 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.484 16.360 -3.193 1.00 0.00 N ATOM 0 H LYS A 13 -5.495 13.995 0.580 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.950 13.534 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.349 14.963 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.051 14.925 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.733 15.888 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.505 16.950 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.307 17.535 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.584 16.285 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.217 14.687 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.659 15.518 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.348 15.785 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.654 17.290 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.225 16.486 -4.192 1.00 0.00 H new ATOM 144 N VAL A 14 -4.041 12.075 -1.323 1.00 0.00 N ATOM 145 CA VAL A 14 -3.168 10.996 -1.772 1.00 0.00 C ATOM 146 C VAL A 14 -3.956 9.711 -2.000 1.00 0.00 C ATOM 147 O VAL A 14 -4.971 9.469 -1.346 1.00 0.00 O ATOM 148 CB VAL A 14 -2.045 10.723 -0.755 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.339 9.415 -1.077 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.056 11.879 -0.730 1.00 0.00 C ATOM 0 H VAL A 14 -3.738 12.533 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.724 11.319 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.490 10.634 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.548 9.239 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.057 8.595 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.905 9.472 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.269 11.669 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.615 12.002 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.574 12.795 -0.447 1.00 0.00 H new ATOM 160 N ARG A 15 -3.483 8.890 -2.930 1.00 0.00 N ATOM 161 CA ARG A 15 -4.143 7.628 -3.246 1.00 0.00 C ATOM 162 C ARG A 15 -3.119 6.519 -3.469 1.00 0.00 C ATOM 163 O ARG A 15 -1.920 6.778 -3.561 1.00 0.00 O ATOM 164 CB ARG A 15 -5.020 7.785 -4.489 1.00 0.00 C ATOM 165 CG ARG A 15 -6.441 8.230 -4.180 1.00 0.00 C ATOM 166 CD ARG A 15 -7.183 8.641 -5.442 1.00 0.00 C ATOM 167 NE ARG A 15 -8.632 8.552 -5.279 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.352 9.442 -4.604 1.00 0.00 C ATOM 169 NH1 ARG A 15 -8.760 10.482 -4.034 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.666 9.291 -4.501 1.00 0.00 N ATOM 0 H ARG A 15 -2.644 9.075 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.771 7.353 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.559 8.510 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.054 6.835 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.979 7.419 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.418 9.067 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.910 9.663 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.872 8.004 -6.269 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.118 7.764 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.750 10.600 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.314 11.164 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.123 8.492 -4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.219 9.974 -3.983 1.00 0.00 H new ATOM 184 N ALA A 16 -3.602 5.284 -3.553 1.00 0.00 N ATOM 185 CA ALA A 16 -2.730 4.136 -3.766 1.00 0.00 C ATOM 186 C ALA A 16 -3.021 3.466 -5.105 1.00 0.00 C ATOM 187 O ALA A 16 -4.081 3.672 -5.695 1.00 0.00 O ATOM 188 CB ALA A 16 -2.885 3.137 -2.629 1.00 0.00 C ATOM 0 H ALA A 16 -4.593 5.053 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.700 4.492 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.228 2.285 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.620 3.615 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.919 2.795 -2.584 1.00 0.00 H new ATOM 222 N GLY A 20 -2.693 -5.472 -6.577 1.00 0.00 N ATOM 223 CA GLY A 20 -1.587 -5.726 -5.672 1.00 0.00 C ATOM 224 C GLY A 20 -1.931 -5.407 -4.231 1.00 0.00 C ATOM 225 O GLY A 20 -1.261 -5.870 -3.308 1.00 0.00 O ATOM 0 HA2 GLY A 20 -1.292 -6.773 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.727 -5.129 -5.978 1.00 0.00 H new ATOM 229 N LEU A 21 -2.977 -4.611 -4.036 1.00 0.00 N ATOM 230 CA LEU A 21 -3.409 -4.229 -2.697 1.00 0.00 C ATOM 231 C LEU A 21 -4.691 -4.960 -2.308 1.00 0.00 C ATOM 232 O LEU A 21 -5.108 -4.926 -1.151 1.00 0.00 O ATOM 233 CB LEU A 21 -3.627 -2.717 -2.621 1.00 0.00 C ATOM 234 CG LEU A 21 -2.367 -1.854 -2.689 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.713 -0.439 -3.129 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.657 -1.838 -1.344 1.00 0.00 C ATOM 0 H LEU A 21 -3.541 -4.218 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.624 -4.512 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.289 -2.424 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.148 -2.491 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.692 -2.288 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.804 0.161 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.176 -0.468 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.407 0.004 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.763 -1.219 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.324 -1.430 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.375 -2.854 -1.070 1.00 0.00 H new ATOM 248 N GLU A 22 -5.309 -5.619 -3.283 1.00 0.00 N ATOM 249 CA GLU A 22 -6.543 -6.358 -3.042 1.00 0.00 C ATOM 250 C GLU A 22 -6.245 -7.751 -2.499 1.00 0.00 C ATOM 251 O GLU A 22 -6.875 -8.205 -1.544 1.00 0.00 O ATOM 252 CB GLU A 22 -7.360 -6.464 -4.332 1.00 0.00 C ATOM 253 CG GLU A 22 -6.644 -7.209 -5.445 1.00 0.00 C ATOM 254 CD GLU A 22 -7.261 -6.955 -6.807 1.00 0.00 C ATOM 255 OE1 GLU A 22 -7.206 -5.799 -7.276 1.00 0.00 O ATOM 256 OE2 GLU A 22 -7.798 -7.911 -7.403 1.00 0.00 O ATOM 0 H GLU A 22 -4.976 -5.656 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.123 -5.814 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.302 -6.969 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.608 -5.461 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.596 -6.909 -5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.665 -8.278 -5.234 1.00 0.00 H new ATOM 263 N ARG A 23 -5.280 -8.426 -3.115 1.00 0.00 N ATOM 264 CA ARG A 23 -4.898 -9.769 -2.696 1.00 0.00 C ATOM 265 C ARG A 23 -3.394 -9.975 -2.833 1.00 0.00 C ATOM 266 O ARG A 23 -2.742 -9.337 -3.659 1.00 0.00 O ATOM 267 CB ARG A 23 -5.645 -10.817 -3.524 1.00 0.00 C ATOM 268 CG ARG A 23 -5.899 -12.117 -2.779 1.00 0.00 C ATOM 269 CD ARG A 23 -6.430 -13.198 -3.707 1.00 0.00 C ATOM 270 NE ARG A 23 -7.871 -13.079 -3.917 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.416 -12.296 -4.841 1.00 0.00 C ATOM 272 NH1 ARG A 23 -7.645 -11.567 -5.636 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.735 -12.241 -4.972 1.00 0.00 N ATOM 0 H ARG A 23 -4.748 -8.064 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.168 -9.885 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.600 -10.400 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.071 -11.031 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.974 -12.458 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.614 -11.943 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.917 -13.136 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.204 -14.179 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.492 -13.627 -3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.630 -11.607 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.066 -10.967 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.332 -12.800 -4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.152 -11.639 -5.682 1.00 0.00 H new ATOM 287 N GLY A 24 -2.846 -10.872 -2.017 1.00 0.00 N ATOM 288 CA GLY A 24 -1.422 -11.145 -2.062 1.00 0.00 C ATOM 289 C GLY A 24 -1.115 -12.629 -2.016 1.00 0.00 C ATOM 290 O GLY A 24 -2.018 -13.451 -1.878 1.00 0.00 O ATOM 0 H GLY A 24 -3.364 -11.414 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.002 -10.718 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.933 -10.650 -1.223 1.00 0.00 H new ATOM 294 N GLU A 25 0.165 -12.970 -2.135 1.00 0.00 N ATOM 295 CA GLU A 25 0.588 -14.365 -2.109 1.00 0.00 C ATOM 296 C GLU A 25 1.852 -14.535 -1.271 1.00 0.00 C ATOM 297 O GLU A 25 2.624 -13.593 -1.095 1.00 0.00 O ATOM 298 CB GLU A 25 0.832 -14.874 -3.530 1.00 0.00 C ATOM 299 CG GLU A 25 -0.402 -15.474 -4.182 1.00 0.00 C ATOM 300 CD GLU A 25 -1.291 -14.427 -4.823 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.760 -13.382 -5.256 1.00 0.00 O ATOM 302 OE2 GLU A 25 -2.518 -14.650 -4.892 1.00 0.00 O ATOM 0 H GLU A 25 0.925 -12.300 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.210 -14.951 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.193 -14.050 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.622 -15.625 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.094 -16.196 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.974 -16.022 -3.433 1.00 0.00 H new ATOM 309 N ALA A 26 2.057 -15.743 -0.757 1.00 0.00 N ATOM 310 CA ALA A 26 3.228 -16.038 0.060 1.00 0.00 C ATOM 311 C ALA A 26 4.436 -16.366 -0.810 1.00 0.00 C ATOM 312 O ALA A 26 4.448 -17.372 -1.518 1.00 0.00 O ATOM 313 CB ALA A 26 2.931 -17.187 1.011 1.00 0.00 C ATOM 0 H ALA A 26 1.427 -16.534 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 26 3.466 -15.150 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.814 -17.397 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.101 -16.914 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.665 -18.075 0.437 1.00 0.00 H new ATOM 319 N GLY A 27 5.451 -15.510 -0.753 1.00 0.00 N ATOM 320 CA GLY A 27 6.650 -15.728 -1.540 1.00 0.00 C ATOM 321 C GLY A 27 6.554 -15.113 -2.923 1.00 0.00 C ATOM 322 O GLY A 27 7.388 -15.379 -3.789 1.00 0.00 O ATOM 0 H GLY A 27 5.464 -14.669 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.507 -15.305 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.830 -16.799 -1.633 1.00 0.00 H new ATOM 326 N VAL A 28 5.532 -14.289 -3.133 1.00 0.00 N ATOM 327 CA VAL A 28 5.330 -13.636 -4.420 1.00 0.00 C ATOM 328 C VAL A 28 5.468 -12.123 -4.297 1.00 0.00 C ATOM 329 O VAL A 28 4.774 -11.473 -3.514 1.00 0.00 O ATOM 330 CB VAL A 28 3.944 -13.968 -5.006 1.00 0.00 C ATOM 331 CG1 VAL A 28 3.741 -13.254 -6.334 1.00 0.00 C ATOM 332 CG2 VAL A 28 3.780 -15.471 -5.168 1.00 0.00 C ATOM 0 H VAL A 28 4.832 -14.058 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 28 6.101 -14.014 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 28 3.181 -13.616 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.757 -13.500 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.812 -12.177 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.508 -13.573 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.795 -15.687 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.549 -15.850 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.878 -15.955 -4.196 1.00 0.00 H new ATOM 342 N PRO A 29 6.385 -11.546 -5.087 1.00 0.00 N ATOM 343 CA PRO A 29 6.636 -10.101 -5.086 1.00 0.00 C ATOM 344 C PRO A 29 5.478 -9.311 -5.687 1.00 0.00 C ATOM 345 O PRO A 29 5.137 -9.483 -6.856 1.00 0.00 O ATOM 346 CB PRO A 29 7.888 -9.957 -5.953 1.00 0.00 C ATOM 347 CG PRO A 29 7.868 -11.149 -6.847 1.00 0.00 C ATOM 348 CD PRO A 29 7.247 -12.258 -6.044 1.00 0.00 C ATOM 0 HA PRO A 29 6.754 -9.709 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.868 -9.031 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.791 -9.934 -5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.290 -10.950 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.876 -11.415 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.672 -12.937 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.002 -12.857 -5.536 1.00 0.00 H new ATOM 356 N ALA A 30 4.877 -8.444 -4.878 1.00 0.00 N ATOM 357 CA ALA A 30 3.759 -7.625 -5.331 1.00 0.00 C ATOM 358 C ALA A 30 4.124 -6.145 -5.324 1.00 0.00 C ATOM 359 O ALA A 30 4.294 -5.543 -4.264 1.00 0.00 O ATOM 360 CB ALA A 30 2.536 -7.874 -4.460 1.00 0.00 C ATOM 0 H ALA A 30 5.146 -8.291 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 30 3.525 -7.909 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.709 -7.256 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.254 -8.925 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.768 -7.619 -3.426 1.00 0.00 H new ATOM 366 N GLU A 31 4.244 -5.564 -6.514 1.00 0.00 N ATOM 367 CA GLU A 31 4.591 -4.154 -6.643 1.00 0.00 C ATOM 368 C GLU A 31 3.364 -3.324 -7.008 1.00 0.00 C ATOM 369 O GLU A 31 2.556 -3.723 -7.848 1.00 0.00 O ATOM 370 CB GLU A 31 5.680 -3.969 -7.702 1.00 0.00 C ATOM 371 CG GLU A 31 7.090 -4.128 -7.160 1.00 0.00 C ATOM 372 CD GLU A 31 8.150 -3.962 -8.232 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.017 -3.035 -9.058 1.00 0.00 O ATOM 374 OE2 GLU A 31 9.111 -4.759 -8.245 1.00 0.00 O ATOM 0 H GLU A 31 4.106 -6.048 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 31 4.969 -3.809 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.524 -4.693 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.580 -2.978 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.257 -3.393 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.191 -5.113 -6.704 1.00 0.00 H new ATOM 381 N PHE A 32 3.230 -2.164 -6.371 1.00 0.00 N ATOM 382 CA PHE A 32 2.102 -1.277 -6.627 1.00 0.00 C ATOM 383 C PHE A 32 2.578 0.149 -6.883 1.00 0.00 C ATOM 384 O PHE A 32 3.694 0.519 -6.514 1.00 0.00 O ATOM 385 CB PHE A 32 1.131 -1.297 -5.445 1.00 0.00 C ATOM 386 CG PHE A 32 1.798 -1.074 -4.118 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.419 -2.121 -3.455 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.805 0.182 -3.533 1.00 0.00 C ATOM 389 CE1 PHE A 32 3.033 -1.919 -2.234 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.418 0.390 -2.312 1.00 0.00 C ATOM 391 CZ PHE A 32 3.033 -0.660 -1.662 1.00 0.00 C ATOM 0 H PHE A 32 3.889 -1.817 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 32 1.587 -1.635 -7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.372 -0.529 -5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.614 -2.256 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.423 -3.106 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.326 1.008 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.512 -2.743 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.416 1.374 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.514 -0.499 -0.708 1.00 0.00 H new ATOM 401 N SER A 33 1.726 0.947 -7.518 1.00 0.00 N ATOM 402 CA SER A 33 2.061 2.333 -7.828 1.00 0.00 C ATOM 403 C SER A 33 1.308 3.292 -6.910 1.00 0.00 C ATOM 404 O SER A 33 0.204 2.993 -6.454 1.00 0.00 O ATOM 405 CB SER A 33 1.733 2.644 -9.289 1.00 0.00 C ATOM 406 OG SER A 33 2.516 1.854 -10.167 1.00 0.00 O ATOM 0 H SER A 33 0.798 0.658 -7.828 1.00 0.00 H new ATOM 0 HA SER A 33 3.131 2.468 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.675 2.459 -9.475 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.912 3.701 -9.488 1.00 0.00 H new ATOM 0 HG SER A 33 2.286 2.070 -11.095 1.00 0.00 H new ATOM 412 N ILE A 34 1.913 4.444 -6.644 1.00 0.00 N ATOM 413 CA ILE A 34 1.301 5.448 -5.783 1.00 0.00 C ATOM 414 C ILE A 34 1.190 6.791 -6.497 1.00 0.00 C ATOM 415 O ILE A 34 2.144 7.254 -7.121 1.00 0.00 O ATOM 416 CB ILE A 34 2.102 5.636 -4.481 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.125 4.333 -3.679 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.506 6.764 -3.652 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.125 4.342 -2.543 1.00 0.00 C ATOM 0 H ILE A 34 2.827 4.706 -7.013 1.00 0.00 H new ATOM 0 HA ILE A 34 0.302 5.087 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 34 3.128 5.902 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.130 4.146 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.357 3.506 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.082 6.885 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.536 7.691 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.472 6.525 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.087 3.388 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.127 4.497 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.881 5.147 -1.850 1.00 0.00 H new ATOM 549 N LEU A 44 6.905 9.521 1.637 1.00 0.00 N ATOM 550 CA LEU A 44 5.992 8.392 1.774 1.00 0.00 C ATOM 551 C LEU A 44 6.620 7.282 2.610 1.00 0.00 C ATOM 552 O LEU A 44 7.657 6.729 2.247 1.00 0.00 O ATOM 553 CB LEU A 44 5.606 7.852 0.395 1.00 0.00 C ATOM 554 CG LEU A 44 4.443 8.559 -0.301 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.569 8.434 -1.811 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.113 7.992 0.173 1.00 0.00 C ATOM 0 HA LEU A 44 5.095 8.742 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.480 7.910 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.354 6.796 0.498 1.00 0.00 H new ATOM 0 HG LEU A 44 4.478 9.617 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.732 8.943 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.505 8.888 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.560 7.381 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.297 8.507 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.068 6.928 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.020 8.134 1.250 1.00 0.00 H new ATOM 568 N SER A 45 5.984 6.960 3.732 1.00 0.00 N ATOM 569 CA SER A 45 6.480 5.917 4.620 1.00 0.00 C ATOM 570 C SER A 45 5.564 4.697 4.593 1.00 0.00 C ATOM 571 O SER A 45 4.349 4.816 4.751 1.00 0.00 O ATOM 572 CB SER A 45 6.597 6.448 6.050 1.00 0.00 C ATOM 573 OG SER A 45 7.497 7.541 6.116 1.00 0.00 O ATOM 0 H SER A 45 5.123 7.407 4.047 1.00 0.00 H new ATOM 0 HA SER A 45 7.467 5.616 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.615 6.759 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.939 5.651 6.710 1.00 0.00 H new ATOM 0 HG SER A 45 7.553 7.863 7.040 1.00 0.00 H new ATOM 579 N ILE A 46 6.156 3.524 4.390 1.00 0.00 N ATOM 580 CA ILE A 46 5.394 2.283 4.341 1.00 0.00 C ATOM 581 C ILE A 46 5.989 1.236 5.278 1.00 0.00 C ATOM 582 O ILE A 46 7.207 1.132 5.414 1.00 0.00 O ATOM 583 CB ILE A 46 5.345 1.708 2.914 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.694 2.711 1.959 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.587 0.389 2.900 1.00 0.00 C ATOM 586 CD1 ILE A 46 4.934 2.399 0.499 1.00 0.00 C ATOM 0 H ILE A 46 7.161 3.408 4.257 1.00 0.00 H new ATOM 0 HA ILE A 46 4.380 2.522 4.662 1.00 0.00 H new ATOM 0 HB ILE A 46 6.365 1.523 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.620 2.734 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.076 3.708 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.561 -0.005 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.088 -0.325 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.568 0.551 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.444 3.151 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.005 2.405 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.526 1.415 0.265 1.00 0.00 H new ATOM 598 N ALA A 47 5.120 0.464 5.920 1.00 0.00 N ATOM 599 CA ALA A 47 5.559 -0.577 6.842 1.00 0.00 C ATOM 600 C ALA A 47 4.617 -1.776 6.804 1.00 0.00 C ATOM 601 O ALA A 47 3.468 -1.690 7.238 1.00 0.00 O ATOM 602 CB ALA A 47 5.657 -0.025 8.256 1.00 0.00 C ATOM 0 H ALA A 47 4.108 0.539 5.819 1.00 0.00 H new ATOM 0 HA ALA A 47 6.547 -0.913 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.986 -0.814 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.375 0.794 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.680 0.340 8.572 1.00 0.00 H new ATOM 608 N VAL A 48 5.111 -2.895 6.283 1.00 0.00 N ATOM 609 CA VAL A 48 4.313 -4.112 6.189 1.00 0.00 C ATOM 610 C VAL A 48 4.379 -4.913 7.484 1.00 0.00 C ATOM 611 O VAL A 48 5.459 -5.293 7.935 1.00 0.00 O ATOM 612 CB VAL A 48 4.782 -5.002 5.023 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.889 -6.227 4.894 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.806 -4.210 3.725 1.00 0.00 C ATOM 0 H VAL A 48 6.060 -2.984 5.920 1.00 0.00 H new ATOM 0 HA VAL A 48 3.284 -3.803 6.008 1.00 0.00 H new ATOM 0 HB VAL A 48 5.796 -5.342 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.235 -6.844 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.928 -6.805 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.863 -5.911 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.140 -4.854 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.805 -3.839 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.491 -3.368 3.825 1.00 0.00 H new ATOM 624 N GLU A 49 3.216 -5.166 8.078 1.00 0.00 N ATOM 625 CA GLU A 49 3.144 -5.923 9.322 1.00 0.00 C ATOM 626 C GLU A 49 2.105 -7.037 9.221 1.00 0.00 C ATOM 627 O GLU A 49 0.930 -6.784 8.961 1.00 0.00 O ATOM 628 CB GLU A 49 2.800 -4.996 10.489 1.00 0.00 C ATOM 629 CG GLU A 49 3.848 -3.927 10.747 1.00 0.00 C ATOM 630 CD GLU A 49 3.363 -2.849 11.696 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.534 -3.162 12.576 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.813 -1.693 11.559 1.00 0.00 O ATOM 0 H GLU A 49 2.313 -4.858 7.718 1.00 0.00 H new ATOM 0 HA GLU A 49 4.120 -6.374 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.843 -4.514 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.673 -5.594 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.743 -4.393 11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.135 -3.470 9.800 1.00 0.00 H new ATOM 639 N GLY A 50 2.550 -8.273 9.428 1.00 0.00 N ATOM 640 CA GLY A 50 1.649 -9.408 9.355 1.00 0.00 C ATOM 641 C GLY A 50 2.008 -10.498 10.344 1.00 0.00 C ATOM 642 O GLY A 50 2.690 -10.261 11.342 1.00 0.00 O ATOM 0 H GLY A 50 3.519 -8.508 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.630 -9.071 9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.667 -9.818 8.345 1.00 0.00 H new ATOM 646 N PRO A 51 1.542 -11.726 10.074 1.00 0.00 N ATOM 647 CA PRO A 51 1.805 -12.881 10.937 1.00 0.00 C ATOM 648 C PRO A 51 3.265 -13.319 10.892 1.00 0.00 C ATOM 649 O PRO A 51 3.693 -14.166 11.675 1.00 0.00 O ATOM 650 CB PRO A 51 0.901 -13.972 10.357 1.00 0.00 C ATOM 651 CG PRO A 51 0.711 -13.585 8.930 1.00 0.00 C ATOM 652 CD PRO A 51 0.722 -12.082 8.903 1.00 0.00 C ATOM 0 HA PRO A 51 1.608 -12.658 11.986 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.362 -14.956 10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.051 -14.019 10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.507 -13.992 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.230 -13.975 8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.154 -11.700 7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.285 -11.671 8.978 1.00 0.00 H new ATOM 660 N SER A 52 4.023 -12.736 9.970 1.00 0.00 N ATOM 661 CA SER A 52 5.435 -13.069 9.820 1.00 0.00 C ATOM 662 C SER A 52 6.218 -11.880 9.269 1.00 0.00 C ATOM 663 O SER A 52 5.662 -10.805 9.043 1.00 0.00 O ATOM 664 CB SER A 52 5.601 -14.276 8.896 1.00 0.00 C ATOM 665 OG SER A 52 6.759 -15.021 9.232 1.00 0.00 O ATOM 0 H SER A 52 3.684 -12.031 9.316 1.00 0.00 H new ATOM 0 HA SER A 52 5.831 -13.318 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.721 -14.915 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.669 -13.939 7.862 1.00 0.00 H new ATOM 0 HG SER A 52 6.494 -15.901 9.572 1.00 0.00 H new ATOM 671 N LYS A 53 7.514 -12.082 9.054 1.00 0.00 N ATOM 672 CA LYS A 53 8.375 -11.030 8.528 1.00 0.00 C ATOM 673 C LYS A 53 8.209 -10.895 7.017 1.00 0.00 C ATOM 674 O LYS A 53 8.203 -11.890 6.293 1.00 0.00 O ATOM 675 CB LYS A 53 9.839 -11.324 8.867 1.00 0.00 C ATOM 676 CG LYS A 53 10.787 -10.196 8.498 1.00 0.00 C ATOM 677 CD LYS A 53 10.610 -8.997 9.415 1.00 0.00 C ATOM 678 CE LYS A 53 11.011 -7.703 8.725 1.00 0.00 C ATOM 679 NZ LYS A 53 12.490 -7.577 8.598 1.00 0.00 N ATOM 0 H LYS A 53 7.991 -12.965 9.236 1.00 0.00 H new ATOM 0 HA LYS A 53 8.082 -10.089 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.923 -11.523 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.148 -12.232 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.816 -10.551 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.611 -9.895 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.570 -8.933 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.212 -9.133 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.557 -7.664 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.621 -6.855 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.723 -6.682 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.922 -7.589 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.859 -8.372 8.039 1.00 0.00 H new ATOM 693 N ALA A 54 8.077 -9.658 6.549 1.00 0.00 N ATOM 694 CA ALA A 54 7.916 -9.394 5.124 1.00 0.00 C ATOM 695 C ALA A 54 9.032 -8.496 4.603 1.00 0.00 C ATOM 696 O ALA A 54 9.441 -7.548 5.273 1.00 0.00 O ATOM 697 CB ALA A 54 6.558 -8.763 4.856 1.00 0.00 C ATOM 0 H ALA A 54 8.078 -8.823 7.135 1.00 0.00 H new ATOM 0 HA ALA A 54 7.974 -10.344 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.450 -8.571 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.770 -9.442 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.479 -7.824 5.403 1.00 0.00 H new ATOM 703 N GLU A 55 9.519 -8.800 3.404 1.00 0.00 N ATOM 704 CA GLU A 55 10.589 -8.019 2.795 1.00 0.00 C ATOM 705 C GLU A 55 10.036 -6.755 2.143 1.00 0.00 C ATOM 706 O GLU A 55 8.891 -6.727 1.692 1.00 0.00 O ATOM 707 CB GLU A 55 11.334 -8.858 1.755 1.00 0.00 C ATOM 708 CG GLU A 55 12.633 -8.227 1.281 1.00 0.00 C ATOM 709 CD GLU A 55 13.087 -8.767 -0.062 1.00 0.00 C ATOM 710 OE1 GLU A 55 12.531 -8.335 -1.094 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.998 -9.622 -0.081 1.00 0.00 O ATOM 0 H GLU A 55 9.190 -9.581 2.836 1.00 0.00 H new ATOM 0 HA GLU A 55 11.284 -7.727 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.550 -9.839 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.683 -9.018 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.503 -7.147 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.412 -8.406 2.023 1.00 0.00 H new ATOM 718 N ILE A 56 10.859 -5.712 2.097 1.00 0.00 N ATOM 719 CA ILE A 56 10.453 -4.446 1.501 1.00 0.00 C ATOM 720 C ILE A 56 11.619 -3.780 0.777 1.00 0.00 C ATOM 721 O ILE A 56 12.637 -3.453 1.387 1.00 0.00 O ATOM 722 CB ILE A 56 9.900 -3.475 2.561 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.647 -4.059 3.215 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.595 -2.123 1.934 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.301 -3.418 4.540 1.00 0.00 C ATOM 0 H ILE A 56 11.810 -5.719 2.465 1.00 0.00 H new ATOM 0 HA ILE A 56 9.665 -4.674 0.783 1.00 0.00 H new ATOM 0 HB ILE A 56 10.657 -3.333 3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.804 -3.943 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.791 -5.129 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.205 -1.448 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.508 -1.704 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.853 -2.247 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.402 -3.882 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.127 -3.557 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.125 -2.352 4.394 1.00 0.00 H new ATOM 737 N THR A 57 11.463 -3.581 -0.528 1.00 0.00 N ATOM 738 CA THR A 57 12.501 -2.955 -1.335 1.00 0.00 C ATOM 739 C THR A 57 12.043 -1.601 -1.866 1.00 0.00 C ATOM 740 O THR A 57 11.308 -1.526 -2.851 1.00 0.00 O ATOM 741 CB THR A 57 12.906 -3.848 -2.522 1.00 0.00 C ATOM 742 OG1 THR A 57 13.228 -5.164 -2.058 1.00 0.00 O ATOM 743 CG2 THR A 57 14.099 -3.259 -3.261 1.00 0.00 C ATOM 0 H THR A 57 10.626 -3.845 -1.048 1.00 0.00 H new ATOM 0 HA THR A 57 13.364 -2.815 -0.685 1.00 0.00 H new ATOM 0 HB THR A 57 12.063 -3.902 -3.211 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.483 -5.726 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.367 -3.907 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.841 -2.270 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.945 -3.177 -2.579 1.00 0.00 H new ATOM 884 N VAL A 68 6.763 0.271 -5.053 1.00 0.00 N ATOM 885 CA VAL A 68 7.060 -0.401 -3.793 1.00 0.00 C ATOM 886 C VAL A 68 6.777 -1.896 -3.889 1.00 0.00 C ATOM 887 O VAL A 68 5.665 -2.308 -4.218 1.00 0.00 O ATOM 888 CB VAL A 68 6.239 0.193 -2.634 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.584 -0.500 -1.325 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.471 1.693 -2.530 1.00 0.00 C ATOM 0 HA VAL A 68 8.120 -0.247 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 68 5.181 0.026 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.994 -0.067 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.361 -1.564 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.645 -0.367 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.883 2.096 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.528 1.886 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.168 2.173 -3.460 1.00 0.00 H new ATOM 900 N SER A 69 7.791 -2.704 -3.596 1.00 0.00 N ATOM 901 CA SER A 69 7.653 -4.154 -3.651 1.00 0.00 C ATOM 902 C SER A 69 7.684 -4.757 -2.250 1.00 0.00 C ATOM 903 O SER A 69 8.304 -4.207 -1.339 1.00 0.00 O ATOM 904 CB SER A 69 8.768 -4.761 -4.504 1.00 0.00 C ATOM 905 OG SER A 69 10.023 -4.661 -3.853 1.00 0.00 O ATOM 0 H SER A 69 8.717 -2.379 -3.318 1.00 0.00 H new ATOM 0 HA SER A 69 6.690 -4.385 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.544 -5.808 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.813 -4.250 -5.466 1.00 0.00 H new ATOM 0 HG SER A 69 10.687 -5.194 -4.339 1.00 0.00 H new ATOM 911 N TYR A 70 7.011 -5.890 -2.085 1.00 0.00 N ATOM 912 CA TYR A 70 6.959 -6.567 -0.795 1.00 0.00 C ATOM 913 C TYR A 70 6.688 -8.058 -0.972 1.00 0.00 C ATOM 914 O TYR A 70 5.799 -8.453 -1.727 1.00 0.00 O ATOM 915 CB TYR A 70 5.877 -5.943 0.088 1.00 0.00 C ATOM 916 CG TYR A 70 4.483 -6.440 -0.219 1.00 0.00 C ATOM 917 CD1 TYR A 70 3.998 -7.608 0.356 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.651 -5.741 -1.085 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.725 -8.066 0.077 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.375 -6.191 -1.367 1.00 0.00 C ATOM 921 CZ TYR A 70 1.917 -7.354 -0.785 1.00 0.00 C ATOM 922 OH TYR A 70 0.648 -7.806 -1.066 1.00 0.00 O ATOM 0 H TYR A 70 6.494 -6.359 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 70 7.928 -6.447 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.107 -6.153 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.902 -4.860 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.627 -8.167 1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.007 -4.831 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.364 -8.977 0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.740 -5.634 -2.040 1.00 0.00 H new ATOM 0 HH TYR A 70 0.211 -7.189 -1.689 1.00 0.00 H new ATOM 932 N ILE A 71 7.461 -8.880 -0.272 1.00 0.00 N ATOM 933 CA ILE A 71 7.305 -10.328 -0.350 1.00 0.00 C ATOM 934 C ILE A 71 7.007 -10.924 1.022 1.00 0.00 C ATOM 935 O ILE A 71 7.755 -10.714 1.976 1.00 0.00 O ATOM 936 CB ILE A 71 8.565 -11.000 -0.927 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.666 -10.737 -2.431 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.543 -12.494 -0.645 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.001 -11.129 -3.024 1.00 0.00 C ATOM 0 H ILE A 71 8.202 -8.569 0.356 1.00 0.00 H new ATOM 0 HA ILE A 71 6.464 -10.519 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 71 9.443 -10.571 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.875 -11.286 -2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.491 -9.678 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.440 -12.956 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.513 -12.661 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.661 -12.938 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.001 -10.915 -4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.795 -10.561 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.170 -12.194 -2.867 1.00 0.00 H new ATOM 951 N ALA A 72 5.911 -11.669 1.112 1.00 0.00 N ATOM 952 CA ALA A 72 5.516 -12.298 2.366 1.00 0.00 C ATOM 953 C ALA A 72 5.951 -13.760 2.407 1.00 0.00 C ATOM 954 O ALA A 72 5.287 -14.629 1.844 1.00 0.00 O ATOM 955 CB ALA A 72 4.011 -12.188 2.561 1.00 0.00 C ATOM 0 H ALA A 72 5.281 -11.852 0.331 1.00 0.00 H new ATOM 0 HA ALA A 72 6.016 -11.774 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.730 -12.662 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.723 -11.137 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.500 -12.686 1.737 1.00 0.00 H new ATOM 961 N GLN A 73 7.070 -14.020 3.076 1.00 0.00 N ATOM 962 CA GLN A 73 7.594 -15.376 3.188 1.00 0.00 C ATOM 963 C GLN A 73 6.492 -16.354 3.587 1.00 0.00 C ATOM 964 O GLN A 73 6.399 -17.453 3.043 1.00 0.00 O ATOM 965 CB GLN A 73 8.729 -15.424 4.211 1.00 0.00 C ATOM 966 CG GLN A 73 10.065 -14.951 3.660 1.00 0.00 C ATOM 967 CD GLN A 73 10.669 -15.932 2.675 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.936 -17.086 3.013 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.889 -15.478 1.447 1.00 0.00 N ATOM 0 H GLN A 73 7.630 -13.310 3.548 1.00 0.00 H new ATOM 0 HA GLN A 73 7.981 -15.671 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.460 -14.807 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.837 -16.446 4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.931 -13.986 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.760 -14.796 4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.653 -14.515 1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.294 -16.093 0.741 1.00 0.00 H new ATOM 978 N GLU A 74 5.661 -15.945 4.541 1.00 0.00 N ATOM 979 CA GLU A 74 4.568 -16.785 5.013 1.00 0.00 C ATOM 980 C GLU A 74 3.217 -16.178 4.646 1.00 0.00 C ATOM 981 O GLU A 74 3.035 -14.960 4.645 1.00 0.00 O ATOM 982 CB GLU A 74 4.659 -16.977 6.528 1.00 0.00 C ATOM 983 CG GLU A 74 6.080 -17.160 7.033 1.00 0.00 C ATOM 984 CD GLU A 74 6.143 -17.968 8.316 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.525 -19.051 8.367 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.812 -17.514 9.269 1.00 0.00 O ATOM 0 H GLU A 74 5.725 -15.037 5.002 1.00 0.00 H new ATOM 0 HA GLU A 74 4.655 -17.756 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.215 -16.113 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.066 -17.847 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.673 -17.657 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.531 -16.182 7.201 1.00 0.00 H new ATOM 993 N PRO A 75 2.245 -17.046 4.327 1.00 0.00 N ATOM 994 CA PRO A 75 0.894 -16.618 3.953 1.00 0.00 C ATOM 995 C PRO A 75 0.122 -16.036 5.133 1.00 0.00 C ATOM 996 O PRO A 75 0.384 -16.375 6.286 1.00 0.00 O ATOM 997 CB PRO A 75 0.235 -17.911 3.467 1.00 0.00 C ATOM 998 CG PRO A 75 0.976 -18.999 4.165 1.00 0.00 C ATOM 999 CD PRO A 75 2.391 -18.511 4.307 1.00 0.00 C ATOM 0 HA PRO A 75 0.910 -15.824 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.826 -17.932 3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.311 -18.012 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.536 -19.208 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.938 -19.926 3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.854 -18.881 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.015 -18.842 3.477 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.832 -15.160 4.835 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.628 -14.546 5.882 1.00 0.00 C ATOM 1009 C GLY A 76 -2.070 -13.140 5.525 1.00 0.00 C ATOM 1010 O GLY A 76 -1.797 -12.656 4.427 1.00 0.00 O ATOM 0 H GLY A 76 -1.068 -14.864 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.506 -15.162 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.049 -14.518 6.805 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.757 -12.484 6.455 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.242 -11.126 6.231 1.00 0.00 C ATOM 1016 C ASN A 77 -2.196 -10.100 6.654 1.00 0.00 C ATOM 1017 O ASN A 77 -2.012 -9.839 7.843 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.542 -10.893 7.002 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.325 -10.854 8.503 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.485 -11.576 9.039 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.084 -10.007 9.188 1.00 0.00 N ATOM 0 H ASN A 77 -2.990 -12.870 7.370 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.434 -11.006 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.990 -9.954 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.251 -11.685 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.983 -9.936 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.768 -9.427 8.702 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.513 -9.521 5.672 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.484 -8.523 5.942 1.00 0.00 C ATOM 1030 C TYR A 78 -1.050 -7.111 5.827 1.00 0.00 C ATOM 1031 O TYR A 78 -1.506 -6.700 4.761 1.00 0.00 O ATOM 1032 CB TYR A 78 0.689 -8.696 4.975 1.00 0.00 C ATOM 1033 CG TYR A 78 1.552 -9.899 5.279 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.090 -11.188 5.038 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.829 -9.749 5.804 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.875 -12.291 5.315 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.622 -10.846 6.082 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.140 -12.115 5.837 1.00 0.00 C ATOM 1039 OH TYR A 78 3.925 -13.210 6.112 1.00 0.00 O ATOM 0 H TYR A 78 -1.653 -9.725 4.683 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.130 -8.670 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.302 -8.784 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.308 -7.799 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.101 -11.330 4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.209 -8.757 5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.500 -13.286 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.613 -10.711 6.489 1.00 0.00 H new ATOM 0 HH TYR A 78 3.954 -13.797 5.328 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.016 -6.375 6.932 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.525 -5.008 6.955 1.00 0.00 C ATOM 1051 C GLU A 79 -0.421 -4.010 6.618 1.00 0.00 C ATOM 1052 O GLU A 79 0.512 -3.814 7.397 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.119 -4.685 8.329 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.232 -3.651 8.282 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.473 -2.993 9.626 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.487 -2.756 10.355 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.647 -2.717 9.949 1.00 0.00 O ATOM 0 H GLU A 79 -0.642 -6.701 7.823 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.307 -4.926 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.505 -5.602 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.325 -4.323 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.982 -2.886 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.152 -4.128 7.945 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.535 -3.382 5.453 1.00 0.00 N ATOM 1065 CA VAL A 80 0.452 -2.404 5.013 1.00 0.00 C ATOM 1066 C VAL A 80 0.089 -1.002 5.492 1.00 0.00 C ATOM 1067 O VAL A 80 -0.929 -0.441 5.088 1.00 0.00 O ATOM 1068 CB VAL A 80 0.583 -2.391 3.478 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.670 -1.420 3.043 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.867 -3.791 2.956 1.00 0.00 C ATOM 0 H VAL A 80 -1.301 -3.533 4.797 1.00 0.00 H new ATOM 0 HA VAL A 80 1.406 -2.699 5.450 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.363 -2.054 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.748 -1.424 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.419 -0.416 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.623 -1.723 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.956 -3.763 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.798 -4.158 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.050 -4.456 3.236 1.00 0.00 H new ATOM 1080 N SER A 81 0.930 -0.442 6.356 1.00 0.00 N ATOM 1081 CA SER A 81 0.696 0.892 6.894 1.00 0.00 C ATOM 1082 C SER A 81 1.295 1.958 5.982 1.00 0.00 C ATOM 1083 O SER A 81 2.478 1.908 5.643 1.00 0.00 O ATOM 1084 CB SER A 81 1.295 1.011 8.297 1.00 0.00 C ATOM 1085 OG SER A 81 2.438 0.186 8.436 1.00 0.00 O ATOM 0 H SER A 81 1.779 -0.892 6.698 1.00 0.00 H new ATOM 0 HA SER A 81 -0.381 1.050 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.566 2.048 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.548 0.731 9.040 1.00 0.00 H new ATOM 0 HG SER A 81 2.835 0.025 7.554 1.00 0.00 H new ATOM 1091 N ILE A 82 0.471 2.922 5.587 1.00 0.00 N ATOM 1092 CA ILE A 82 0.918 4.001 4.715 1.00 0.00 C ATOM 1093 C ILE A 82 0.645 5.363 5.341 1.00 0.00 C ATOM 1094 O ILE A 82 -0.432 5.604 5.887 1.00 0.00 O ATOM 1095 CB ILE A 82 0.231 3.933 3.338 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.487 2.575 2.682 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.725 5.061 2.444 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.081 2.522 1.225 1.00 0.00 C ATOM 0 H ILE A 82 -0.511 2.978 5.857 1.00 0.00 H new ATOM 0 HA ILE A 82 1.992 3.875 4.582 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.844 4.050 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.547 2.335 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.058 1.807 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.231 5.000 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.496 6.020 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.803 4.972 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.291 1.530 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.985 2.731 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.644 3.267 0.663 1.00 0.00 H new ATOM 1110 N LYS A 83 1.627 6.255 5.257 1.00 0.00 N ATOM 1111 CA LYS A 83 1.492 7.596 5.813 1.00 0.00 C ATOM 1112 C LYS A 83 2.108 8.635 4.881 1.00 0.00 C ATOM 1113 O LYS A 83 3.250 8.491 4.443 1.00 0.00 O ATOM 1114 CB LYS A 83 2.159 7.670 7.188 1.00 0.00 C ATOM 1115 CG LYS A 83 1.275 7.174 8.320 1.00 0.00 C ATOM 1116 CD LYS A 83 1.629 7.843 9.638 1.00 0.00 C ATOM 1117 CE LYS A 83 2.995 7.397 10.140 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.923 6.095 10.860 1.00 0.00 N ATOM 0 H LYS A 83 2.525 6.073 4.809 1.00 0.00 H new ATOM 0 HA LYS A 83 0.429 7.813 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.076 7.081 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.446 8.702 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.230 7.371 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.381 6.094 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.622 8.926 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.870 7.605 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.681 7.309 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.404 8.158 10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.873 5.826 11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.289 6.186 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.557 5.363 10.218 1.00 0.00 H new ATOM 1132 N PHE A 84 1.346 9.682 4.584 1.00 0.00 N ATOM 1133 CA PHE A 84 1.818 10.745 3.704 1.00 0.00 C ATOM 1134 C PHE A 84 2.173 11.995 4.504 1.00 0.00 C ATOM 1135 O PHE A 84 1.321 12.847 4.755 1.00 0.00 O ATOM 1136 CB PHE A 84 0.752 11.082 2.658 1.00 0.00 C ATOM 1137 CG PHE A 84 1.115 12.250 1.787 1.00 0.00 C ATOM 1138 CD1 PHE A 84 2.211 12.187 0.940 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.360 13.412 1.815 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.547 13.262 0.139 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.691 14.490 1.015 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.786 14.414 0.175 1.00 0.00 C ATOM 0 H PHE A 84 0.400 9.817 4.939 1.00 0.00 H new ATOM 0 HA PHE A 84 2.716 10.391 3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.583 10.208 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.189 11.296 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.809 11.288 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.497 13.476 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.404 13.201 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.095 15.390 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.046 15.254 -0.452 1.00 0.00 H new ATOM 1152 N ASN A 85 3.437 12.097 4.902 1.00 0.00 N ATOM 1153 CA ASN A 85 3.905 13.241 5.675 1.00 0.00 C ATOM 1154 C ASN A 85 3.364 13.193 7.101 1.00 0.00 C ATOM 1155 O ASN A 85 2.810 14.173 7.598 1.00 0.00 O ATOM 1156 CB ASN A 85 3.480 14.548 5.000 1.00 0.00 C ATOM 1157 CG ASN A 85 3.675 14.512 3.496 1.00 0.00 C ATOM 1158 OD1 ASN A 85 4.147 13.517 2.944 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.314 15.600 2.827 1.00 0.00 N ATOM 0 H ASN A 85 4.155 11.401 4.702 1.00 0.00 H new ATOM 0 HA ASN A 85 4.993 13.198 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.431 14.745 5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.055 15.374 5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.423 15.635 1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.927 16.401 3.326 1.00 0.00 H new ATOM 1166 N ASP A 86 3.530 12.048 7.752 1.00 0.00 N ATOM 1167 CA ASP A 86 3.061 11.872 9.121 1.00 0.00 C ATOM 1168 C ASP A 86 1.540 11.970 9.190 1.00 0.00 C ATOM 1169 O ASP A 86 0.983 12.426 10.189 1.00 0.00 O ATOM 1170 CB ASP A 86 3.694 12.919 10.039 1.00 0.00 C ATOM 1171 CG ASP A 86 3.866 12.416 11.459 1.00 0.00 C ATOM 1172 OD1 ASP A 86 4.590 11.417 11.649 1.00 0.00 O ATOM 1173 OD2 ASP A 86 3.276 13.021 12.378 1.00 0.00 O ATOM 0 H ASP A 86 3.986 11.227 7.354 1.00 0.00 H new ATOM 0 HA ASP A 86 3.360 10.879 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.666 13.209 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.073 13.815 10.047 1.00 0.00 H new ATOM 1178 N GLU A 87 0.874 11.540 8.123 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.581 11.581 8.063 1.00 0.00 C ATOM 1180 C GLU A 87 -1.140 10.278 7.498 1.00 0.00 C ATOM 1181 O GLU A 87 -0.583 9.706 6.561 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.045 12.762 7.209 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.182 14.060 7.986 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.784 15.177 7.156 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -1.200 15.517 6.106 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -2.840 15.711 7.555 1.00 0.00 O ATOM 0 H GLU A 87 1.320 11.159 7.288 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.958 11.707 9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.337 12.910 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.006 12.517 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.805 13.889 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.201 14.369 8.346 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.245 9.815 8.074 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.880 8.580 7.628 1.00 0.00 C ATOM 1195 C HIS A 88 -3.984 8.871 6.616 1.00 0.00 C ATOM 1196 O HIS A 88 -4.846 9.720 6.851 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.455 7.817 8.822 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.501 6.824 9.413 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.450 5.503 9.019 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.557 6.966 10.372 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.517 4.875 9.713 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.960 5.740 10.541 1.00 0.00 N ATOM 0 H HIS A 88 -2.719 10.276 8.850 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.121 7.965 7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.747 8.531 9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.360 7.297 8.509 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.317 7.874 10.905 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.255 3.832 9.619 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.209 5.532 11.199 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.951 8.165 5.492 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.950 8.348 4.446 1.00 0.00 C ATOM 1212 C ILE A 89 -6.180 7.484 4.703 1.00 0.00 C ATOM 1213 O ILE A 89 -6.135 6.498 5.438 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.378 8.007 3.056 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.348 6.881 3.167 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.755 9.241 2.423 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.158 6.108 1.880 1.00 0.00 C ATOM 0 H ILE A 89 -3.244 7.461 5.282 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.237 9.399 4.464 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.193 7.667 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.391 7.304 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.658 6.192 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.355 8.984 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.513 10.016 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.949 9.608 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.414 5.326 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.105 5.656 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.818 6.785 1.096 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.308 7.862 4.082 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.572 7.135 4.227 1.00 0.00 C ATOM 1231 C PRO A 90 -8.538 5.771 3.545 1.00 0.00 C ATOM 1232 O PRO A 90 -9.511 5.019 3.593 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.589 8.050 3.540 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.788 8.840 2.563 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.435 9.028 3.192 1.00 0.00 C ATOM 0 HA PRO A 90 -8.804 6.925 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.366 7.473 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.087 8.699 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.706 8.316 1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.260 9.801 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.643 9.050 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.376 9.965 3.746 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.411 5.460 2.912 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.251 4.186 2.220 1.00 0.00 C ATOM 1245 C GLU A 91 -6.204 3.319 2.911 1.00 0.00 C ATOM 1246 O GLU A 91 -5.920 2.203 2.475 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.854 4.420 0.761 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.867 5.236 -0.024 1.00 0.00 C ATOM 1249 CD GLU A 91 -9.025 4.400 -0.530 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -8.769 3.347 -1.151 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -10.188 4.797 -0.305 1.00 0.00 O ATOM 0 H GLU A 91 -6.596 6.072 2.864 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.207 3.663 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.891 4.929 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.719 3.456 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.251 6.036 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.369 5.709 -0.870 1.00 0.00 H new ATOM 1258 N SER A 92 -5.633 3.840 3.992 1.00 0.00 N ATOM 1259 CA SER A 92 -4.614 3.116 4.743 1.00 0.00 C ATOM 1260 C SER A 92 -4.963 3.069 6.227 1.00 0.00 C ATOM 1261 O SER A 92 -5.676 3.925 6.751 1.00 0.00 O ATOM 1262 CB SER A 92 -3.246 3.773 4.549 1.00 0.00 C ATOM 1263 OG SER A 92 -3.000 4.745 5.550 1.00 0.00 O ATOM 0 H SER A 92 -5.859 4.761 4.368 1.00 0.00 H new ATOM 0 HA SER A 92 -4.576 2.094 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.466 3.012 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.200 4.240 3.565 1.00 0.00 H new ATOM 0 HG SER A 92 -2.038 4.927 5.599 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.448 2.045 6.923 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.597 1.020 6.311 1.00 0.00 C ATOM 1271 C PRO A 93 -4.374 0.113 5.362 1.00 0.00 C ATOM 1272 O PRO A 93 -5.604 0.161 5.311 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.082 0.223 7.511 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.113 0.421 8.568 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.656 1.808 8.362 1.00 0.00 C ATOM 0 HA PRO A 93 -2.806 1.457 5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.965 -0.832 7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.107 0.584 7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.904 -0.324 8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.678 0.316 9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.710 1.871 8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.127 2.541 8.971 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.650 -0.712 4.615 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.272 -1.629 3.666 1.00 0.00 C ATOM 1285 C TYR A 94 -4.196 -3.068 4.170 1.00 0.00 C ATOM 1286 O TYR A 94 -3.214 -3.468 4.796 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.595 -1.519 2.299 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.841 -0.197 1.607 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.175 0.955 2.008 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.739 -0.100 0.551 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.397 2.163 1.378 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.967 1.105 -0.085 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.293 2.234 0.332 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.517 3.437 -0.298 1.00 0.00 O ATOM 0 H TYR A 94 -2.632 -0.765 4.648 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.322 -1.352 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.521 -1.661 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.952 -2.326 1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.472 0.904 2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.268 -0.982 0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.871 3.049 1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.669 1.163 -0.904 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.919 4.118 0.075 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.240 -3.841 3.890 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.292 -5.236 4.313 1.00 0.00 C ATOM 1306 C LEU A 95 -5.264 -6.171 3.109 1.00 0.00 C ATOM 1307 O LEU A 95 -6.270 -6.350 2.424 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.554 -5.491 5.141 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.578 -6.792 5.944 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.437 -6.820 6.948 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.915 -6.958 6.649 1.00 0.00 C ATOM 0 H LEU A 95 -6.061 -3.526 3.373 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.414 -5.437 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.685 -4.658 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.412 -5.486 4.469 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.448 -7.625 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.470 -7.753 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.486 -6.748 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.536 -5.979 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.914 -7.889 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.075 -6.120 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.715 -6.984 5.910 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.102 -6.767 2.856 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.942 -7.687 1.736 1.00 0.00 C ATOM 1325 C VAL A 96 -3.852 -9.131 2.221 1.00 0.00 C ATOM 1326 O VAL A 96 -2.854 -9.554 2.803 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.685 -7.354 0.912 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.751 -8.019 -0.454 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.522 -5.848 0.774 1.00 0.00 C ATOM 0 H VAL A 96 -3.258 -6.629 3.412 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.822 -7.573 1.103 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.813 -7.744 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.854 -7.772 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.816 -9.100 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.630 -7.662 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.628 -5.631 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.395 -5.432 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.425 -5.400 1.763 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.919 -9.905 1.972 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.984 -11.314 2.372 1.00 0.00 C ATOM 1341 C PRO A 97 -4.035 -12.192 1.562 1.00 0.00 C ATOM 1342 O PRO A 97 -4.402 -12.713 0.510 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.439 -11.696 2.089 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.877 -10.752 1.023 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.142 -9.466 1.281 1.00 0.00 C ATOM 0 HA PRO A 97 -4.685 -11.457 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.519 -12.732 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.055 -11.598 2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.642 -11.144 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.956 -10.599 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.913 -8.941 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.729 -8.784 1.897 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.813 -12.350 2.061 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.812 -13.166 1.384 1.00 0.00 C ATOM 1355 C VAL A 98 -2.054 -14.651 1.632 1.00 0.00 C ATOM 1356 O VAL A 98 -2.407 -15.056 2.740 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.388 -12.805 1.847 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.649 -13.491 0.971 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.191 -11.297 1.838 1.00 0.00 C ATOM 0 H VAL A 98 -2.493 -11.924 2.931 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.903 -12.959 0.318 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.257 -13.160 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.649 -13.224 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.521 -14.572 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.522 -13.170 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.821 -11.060 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.342 -10.916 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.911 -10.832 2.512 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.861 -15.457 0.594 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.057 -16.898 0.700 1.00 0.00 C ATOM 1371 C ILE A 99 -0.963 -17.658 -0.043 1.00 0.00 C ATOM 1372 O ILE A 99 -0.322 -17.118 -0.944 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.429 -17.322 0.143 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.554 -16.919 -1.328 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.549 -16.701 0.965 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.485 -17.808 -2.121 1.00 0.00 C ATOM 0 H ILE A 99 -1.569 -15.137 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.012 -17.145 1.761 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.513 -18.407 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.910 -15.890 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.566 -16.940 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.512 -17.010 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.468 -17.033 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.470 -15.615 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.525 -17.463 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.118 -18.834 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.484 -17.768 -1.687 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.757 -18.913 0.341 1.00 0.00 N ATOM 1389 CA ALA A 100 0.256 -19.749 -0.290 1.00 0.00 C ATOM 1390 C ALA A 100 -0.244 -20.309 -1.617 1.00 0.00 C ATOM 1391 O ALA A 100 -1.202 -21.080 -1.671 1.00 0.00 O ATOM 1392 CB ALA A 100 0.665 -20.879 0.643 1.00 0.00 C ATOM 0 H ALA A 100 -1.279 -19.373 1.087 1.00 0.00 H new ATOM 0 HA ALA A 100 1.129 -19.129 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.422 -21.495 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.072 -20.461 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.206 -21.491 0.876 1.00 0.00 H new ATOM 1398 N PRO A 101 0.419 -19.915 -2.715 1.00 0.00 N ATOM 1399 CA PRO A 101 0.059 -20.367 -4.062 1.00 0.00 C ATOM 1400 C PRO A 101 0.374 -21.842 -4.282 1.00 0.00 C ATOM 1401 O PRO A 101 1.512 -22.277 -4.102 1.00 0.00 O ATOM 1402 CB PRO A 101 0.925 -19.493 -4.972 1.00 0.00 C ATOM 1403 CG PRO A 101 2.093 -19.110 -4.131 1.00 0.00 C ATOM 1404 CD PRO A 101 1.571 -18.998 -2.725 1.00 0.00 C ATOM 0 HA PRO A 101 -1.010 -20.274 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.240 -20.038 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.378 -18.614 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.883 -19.858 -4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.521 -18.165 -4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.323 -19.290 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.274 -17.977 -2.487 1.00 0.00 H new