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 :FLIP no HD1:sc= -0.422 F(o=-0.15,f=0.68) USER MOD Set 1.2: A 92 SER OG : rot 174:sc= 1.1 USER MOD Single : A 12 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-3.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.235 (180deg=-0.823) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.556 USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.03 X(o=-1,f=-0.59) USER MOD Single : A 77 ASN : amide:sc= -0.522 K(o=-0.52,f=-6!) USER MOD Single : A 78 TYR OH : rot 47:sc= 0.332 USER MOD Single : A 81 SER OG : rot 39:sc= -2.99! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD Single : A 94 TYR OH : rot -159:sc= -1.68 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.845 17.330 0.821 1.00 0.00 N ATOM 89 CA GLY A 10 -2.965 16.647 1.752 1.00 0.00 C ATOM 90 C GLY A 10 -3.101 15.139 1.680 1.00 0.00 C ATOM 91 O GLY A 10 -3.130 14.564 0.593 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.932 16.926 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.185 16.980 2.766 1.00 0.00 H new ATOM 95 N ALA A 11 -3.184 14.498 2.841 1.00 0.00 N ATOM 96 CA ALA A 11 -3.318 13.049 2.906 1.00 0.00 C ATOM 97 C ALA A 11 -4.634 12.591 2.286 1.00 0.00 C ATOM 98 O ALA A 11 -4.646 11.941 1.240 1.00 0.00 O ATOM 99 CB ALA A 11 -3.218 12.573 4.349 1.00 0.00 C ATOM 0 H ALA A 11 -3.161 14.960 3.750 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.503 12.608 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.320 11.488 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.250 12.859 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.012 13.030 4.939 1.00 0.00 H new ATOM 105 N HIS A 12 -5.741 12.934 2.936 1.00 0.00 N ATOM 106 CA HIS A 12 -7.062 12.559 2.448 1.00 0.00 C ATOM 107 C HIS A 12 -7.110 12.600 0.924 1.00 0.00 C ATOM 108 O HIS A 12 -7.825 11.820 0.293 1.00 0.00 O ATOM 109 CB HIS A 12 -8.127 13.489 3.028 1.00 0.00 C ATOM 110 CG HIS A 12 -7.946 14.924 2.640 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.731 15.574 2.706 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.832 15.836 2.175 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.879 16.823 2.302 1.00 0.00 C ATOM 114 NE2 HIS A 12 -8.144 17.006 1.974 1.00 0.00 N ATOM 0 H HIS A 12 -5.749 13.472 3.803 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.266 11.539 2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.110 13.153 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.113 13.411 4.115 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.884 15.673 1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.098 17.567 2.249 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.546 17.877 1.627 1.00 0.00 H new ATOM 122 N LYS A 13 -6.345 13.512 0.337 1.00 0.00 N ATOM 123 CA LYS A 13 -6.298 13.655 -1.114 1.00 0.00 C ATOM 124 C LYS A 13 -5.265 12.711 -1.721 1.00 0.00 C ATOM 125 O LYS A 13 -4.584 13.058 -2.685 1.00 0.00 O ATOM 126 CB LYS A 13 -5.968 15.101 -1.494 1.00 0.00 C ATOM 127 CG LYS A 13 -7.017 16.102 -1.042 1.00 0.00 C ATOM 128 CD LYS A 13 -8.112 16.270 -2.083 1.00 0.00 C ATOM 129 CE LYS A 13 -9.223 15.249 -1.892 1.00 0.00 C ATOM 130 NZ LYS A 13 -10.542 15.774 -2.343 1.00 0.00 N ATOM 0 H LYS A 13 -5.747 14.165 0.844 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.279 13.396 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.007 15.372 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.857 15.167 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.456 15.771 -0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.544 17.065 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.526 17.276 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.686 16.164 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.983 14.343 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.283 14.970 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.273 15.049 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.783 16.624 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.492 16.016 -3.353 1.00 0.00 H new ATOM 144 N VAL A 14 -5.157 11.515 -1.151 1.00 0.00 N ATOM 145 CA VAL A 14 -4.210 10.520 -1.637 1.00 0.00 C ATOM 146 C VAL A 14 -4.813 9.120 -1.594 1.00 0.00 C ATOM 147 O VAL A 14 -5.128 8.601 -0.522 1.00 0.00 O ATOM 148 CB VAL A 14 -2.909 10.532 -0.813 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.983 9.411 -1.260 1.00 0.00 C ATOM 150 CG2 VAL A 14 -2.219 11.883 -0.927 1.00 0.00 C ATOM 0 H VAL A 14 -5.714 11.212 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.979 10.782 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.161 10.366 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.069 9.436 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.480 8.451 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.735 9.542 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.302 11.874 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.978 12.082 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.882 12.663 -0.553 1.00 0.00 H new ATOM 160 N ARG A 15 -4.970 8.513 -2.765 1.00 0.00 N ATOM 161 CA ARG A 15 -5.536 7.172 -2.862 1.00 0.00 C ATOM 162 C ARG A 15 -4.483 6.169 -3.326 1.00 0.00 C ATOM 163 O ARG A 15 -3.423 6.553 -3.820 1.00 0.00 O ATOM 164 CB ARG A 15 -6.723 7.165 -3.826 1.00 0.00 C ATOM 165 CG ARG A 15 -7.525 5.874 -3.795 1.00 0.00 C ATOM 166 CD ARG A 15 -8.984 6.116 -4.153 1.00 0.00 C ATOM 167 NE ARG A 15 -9.676 6.894 -3.129 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.952 7.254 -3.216 1.00 0.00 C ATOM 169 NH1 ARG A 15 -11.670 6.908 -4.276 1.00 0.00 N ATOM 170 NH2 ARG A 15 -11.511 7.962 -2.244 1.00 0.00 N ATOM 0 H ARG A 15 -4.713 8.928 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.880 6.878 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.382 7.998 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.358 7.332 -4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.092 5.158 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.462 5.429 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.041 6.640 -5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.489 5.159 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.151 7.177 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.243 6.365 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.649 7.185 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.961 8.231 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.491 8.238 -2.312 1.00 0.00 H new ATOM 184 N ALA A 16 -4.785 4.886 -3.163 1.00 0.00 N ATOM 185 CA ALA A 16 -3.866 3.828 -3.567 1.00 0.00 C ATOM 186 C ALA A 16 -4.624 2.581 -4.009 1.00 0.00 C ATOM 187 O ALA A 16 -5.471 2.067 -3.280 1.00 0.00 O ATOM 188 CB ALA A 16 -2.914 3.494 -2.428 1.00 0.00 C ATOM 0 H ALA A 16 -5.658 4.553 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.287 4.188 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.233 2.703 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.340 4.382 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.486 3.158 -1.563 1.00 0.00 H new ATOM 222 N GLY A 20 -1.368 -5.197 -6.924 1.00 0.00 N ATOM 223 CA GLY A 20 -0.656 -5.840 -5.835 1.00 0.00 C ATOM 224 C GLY A 20 -1.129 -5.368 -4.474 1.00 0.00 C ATOM 225 O GLY A 20 -0.417 -5.506 -3.479 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.786 -6.920 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.411 -5.640 -5.935 1.00 0.00 H new ATOM 229 N LEU A 21 -2.333 -4.809 -4.429 1.00 0.00 N ATOM 230 CA LEU A 21 -2.900 -4.313 -3.181 1.00 0.00 C ATOM 231 C LEU A 21 -4.165 -5.082 -2.814 1.00 0.00 C ATOM 232 O LEU A 21 -4.412 -5.367 -1.642 1.00 0.00 O ATOM 233 CB LEU A 21 -3.214 -2.820 -3.296 1.00 0.00 C ATOM 234 CG LEU A 21 -2.079 -1.865 -2.925 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.445 -0.435 -3.289 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.754 -1.974 -1.443 1.00 0.00 C ATOM 0 H LEU A 21 -2.936 -4.688 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.163 -4.463 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.517 -2.611 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.071 -2.599 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.192 -2.147 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.626 0.231 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.627 -0.368 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.345 -0.141 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.944 -1.287 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.637 -1.719 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.448 -2.994 -1.212 1.00 0.00 H new ATOM 248 N GLU A 22 -4.962 -5.417 -3.824 1.00 0.00 N ATOM 249 CA GLU A 22 -6.200 -6.155 -3.607 1.00 0.00 C ATOM 250 C GLU A 22 -5.931 -7.468 -2.878 1.00 0.00 C ATOM 251 O GLU A 22 -6.698 -7.874 -2.004 1.00 0.00 O ATOM 252 CB GLU A 22 -6.896 -6.434 -4.942 1.00 0.00 C ATOM 253 CG GLU A 22 -5.957 -6.955 -6.019 1.00 0.00 C ATOM 254 CD GLU A 22 -6.699 -7.481 -7.232 1.00 0.00 C ATOM 255 OE1 GLU A 22 -7.689 -8.221 -7.050 1.00 0.00 O ATOM 256 OE2 GLU A 22 -6.288 -7.153 -8.365 1.00 0.00 O ATOM 0 H GLU A 22 -4.772 -5.189 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.853 -5.542 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.692 -7.161 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.368 -5.517 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.284 -6.155 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.338 -7.750 -5.603 1.00 0.00 H new ATOM 263 N ARG A 23 -4.836 -8.127 -3.243 1.00 0.00 N ATOM 264 CA ARG A 23 -4.466 -9.395 -2.625 1.00 0.00 C ATOM 265 C ARG A 23 -2.953 -9.591 -2.653 1.00 0.00 C ATOM 266 O ARG A 23 -2.225 -8.804 -3.257 1.00 0.00 O ATOM 267 CB ARG A 23 -5.154 -10.557 -3.344 1.00 0.00 C ATOM 268 CG ARG A 23 -6.505 -10.924 -2.751 1.00 0.00 C ATOM 269 CD ARG A 23 -7.434 -11.508 -3.804 1.00 0.00 C ATOM 270 NE ARG A 23 -8.212 -10.474 -4.482 1.00 0.00 N ATOM 271 CZ ARG A 23 -9.005 -10.714 -5.521 1.00 0.00 C ATOM 272 NH1 ARG A 23 -9.124 -11.945 -5.999 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.680 -9.720 -6.084 1.00 0.00 N ATOM 0 H ARG A 23 -4.190 -7.804 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.794 -9.374 -1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.286 -10.297 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.503 -11.430 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.367 -11.645 -1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.963 -10.039 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.848 -12.060 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.111 -12.222 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.143 -9.516 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.606 -12.711 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.734 -12.126 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.590 -8.772 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.289 -9.904 -6.882 1.00 0.00 H new ATOM 287 N GLY A 24 -2.485 -10.646 -1.992 1.00 0.00 N ATOM 288 CA GLY A 24 -1.062 -10.926 -1.952 1.00 0.00 C ATOM 289 C GLY A 24 -0.758 -12.403 -2.103 1.00 0.00 C ATOM 290 O GLY A 24 -1.653 -13.241 -1.999 1.00 0.00 O ATOM 0 H GLY A 24 -3.067 -11.312 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.563 -10.372 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.651 -10.568 -1.008 1.00 0.00 H new ATOM 294 N GLU A 25 0.509 -12.724 -2.348 1.00 0.00 N ATOM 295 CA GLU A 25 0.928 -14.110 -2.514 1.00 0.00 C ATOM 296 C GLU A 25 2.182 -14.402 -1.696 1.00 0.00 C ATOM 297 O GLU A 25 3.137 -13.624 -1.704 1.00 0.00 O ATOM 298 CB GLU A 25 1.187 -14.413 -3.992 1.00 0.00 C ATOM 299 CG GLU A 25 -0.074 -14.730 -4.778 1.00 0.00 C ATOM 300 CD GLU A 25 0.046 -14.360 -6.244 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.724 -15.098 -6.989 1.00 0.00 O ATOM 302 OE2 GLU A 25 -0.539 -13.333 -6.647 1.00 0.00 O ATOM 0 H GLU A 25 1.263 -12.042 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 25 0.124 -14.752 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.684 -13.557 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.873 -15.257 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.294 -15.794 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.916 -14.194 -4.339 1.00 0.00 H new ATOM 309 N ALA A 26 2.172 -15.527 -0.989 1.00 0.00 N ATOM 310 CA ALA A 26 3.308 -15.924 -0.167 1.00 0.00 C ATOM 311 C ALA A 26 4.497 -16.330 -1.032 1.00 0.00 C ATOM 312 O ALA A 26 4.358 -17.126 -1.959 1.00 0.00 O ATOM 313 CB ALA A 26 2.916 -17.061 0.763 1.00 0.00 C ATOM 0 H ALA A 26 1.389 -16.180 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 26 3.607 -15.065 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.775 -17.347 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.104 -16.736 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.588 -17.917 0.173 1.00 0.00 H new ATOM 319 N GLY A 27 5.666 -15.778 -0.722 1.00 0.00 N ATOM 320 CA GLY A 27 6.861 -16.094 -1.480 1.00 0.00 C ATOM 321 C GLY A 27 6.882 -15.421 -2.837 1.00 0.00 C ATOM 322 O GLY A 27 7.735 -15.718 -3.674 1.00 0.00 O ATOM 0 H GLY A 27 5.806 -15.117 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.739 -15.787 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.928 -17.174 -1.612 1.00 0.00 H new ATOM 326 N VAL A 28 5.939 -14.510 -3.059 1.00 0.00 N ATOM 327 CA VAL A 28 5.852 -13.792 -4.325 1.00 0.00 C ATOM 328 C VAL A 28 5.948 -12.286 -4.110 1.00 0.00 C ATOM 329 O VAL A 28 5.228 -11.702 -3.299 1.00 0.00 O ATOM 330 CB VAL A 28 4.538 -14.112 -5.062 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.510 -13.431 -6.422 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.360 -15.615 -5.205 1.00 0.00 C ATOM 0 H VAL A 28 5.225 -14.252 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 28 6.692 -14.123 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 28 3.707 -13.726 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.574 -13.668 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.588 -12.352 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.348 -13.784 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.426 -15.823 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.194 -16.028 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.332 -16.074 -4.217 1.00 0.00 H new ATOM 342 N PRO A 29 6.857 -11.639 -4.854 1.00 0.00 N ATOM 343 CA PRO A 29 7.069 -10.191 -4.763 1.00 0.00 C ATOM 344 C PRO A 29 5.897 -9.398 -5.331 1.00 0.00 C ATOM 345 O PRO A 29 5.677 -9.378 -6.541 1.00 0.00 O ATOM 346 CB PRO A 29 8.327 -9.964 -5.605 1.00 0.00 C ATOM 347 CG PRO A 29 8.350 -11.099 -6.568 1.00 0.00 C ATOM 348 CD PRO A 29 7.750 -12.271 -5.840 1.00 0.00 C ATOM 0 HA PRO A 29 7.165 -9.856 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.288 -9.006 -6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.222 -9.954 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.778 -10.862 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.368 -11.318 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.202 -12.927 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.515 -12.879 -5.358 1.00 0.00 H new ATOM 356 N ALA A 30 5.148 -8.744 -4.449 1.00 0.00 N ATOM 357 CA ALA A 30 4.001 -7.947 -4.862 1.00 0.00 C ATOM 358 C ALA A 30 4.345 -6.461 -4.891 1.00 0.00 C ATOM 359 O ALA A 30 4.771 -5.895 -3.884 1.00 0.00 O ATOM 360 CB ALA A 30 2.821 -8.200 -3.936 1.00 0.00 C ATOM 0 H ALA A 30 5.316 -8.751 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 30 3.726 -8.249 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.971 -7.598 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.551 -9.256 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.094 -7.928 -2.916 1.00 0.00 H new ATOM 366 N GLU A 31 4.157 -5.837 -6.049 1.00 0.00 N ATOM 367 CA GLU A 31 4.450 -4.416 -6.206 1.00 0.00 C ATOM 368 C GLU A 31 3.187 -3.636 -6.559 1.00 0.00 C ATOM 369 O GLU A 31 2.285 -4.158 -7.214 1.00 0.00 O ATOM 370 CB GLU A 31 5.511 -4.208 -7.289 1.00 0.00 C ATOM 371 CG GLU A 31 6.854 -4.834 -6.954 1.00 0.00 C ATOM 372 CD GLU A 31 7.631 -5.244 -8.189 1.00 0.00 C ATOM 373 OE1 GLU A 31 7.223 -6.220 -8.852 1.00 0.00 O ATOM 374 OE2 GLU A 31 8.650 -4.588 -8.493 1.00 0.00 O ATOM 0 H GLU A 31 3.804 -6.291 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 31 4.833 -4.043 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.148 -4.628 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.648 -3.139 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.447 -4.125 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.696 -5.708 -6.322 1.00 0.00 H new ATOM 381 N PHE A 32 3.131 -2.383 -6.119 1.00 0.00 N ATOM 382 CA PHE A 32 1.978 -1.531 -6.387 1.00 0.00 C ATOM 383 C PHE A 32 2.402 -0.072 -6.525 1.00 0.00 C ATOM 384 O PHE A 32 3.325 0.384 -5.850 1.00 0.00 O ATOM 385 CB PHE A 32 0.944 -1.670 -5.269 1.00 0.00 C ATOM 386 CG PHE A 32 1.508 -1.435 -3.897 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.319 -2.385 -3.295 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.230 -0.265 -3.210 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.840 -2.171 -2.033 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.748 -0.045 -1.947 1.00 0.00 C ATOM 391 CZ PHE A 32 2.555 -0.999 -1.358 1.00 0.00 C ATOM 0 H PHE A 32 3.870 -1.936 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 32 1.530 -1.852 -7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.133 -0.963 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.510 -2.669 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.546 -3.302 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.601 0.485 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.470 -2.919 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.522 0.871 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.962 -0.829 -0.372 1.00 0.00 H new ATOM 401 N SER A 33 1.721 0.656 -7.406 1.00 0.00 N ATOM 402 CA SER A 33 2.029 2.062 -7.635 1.00 0.00 C ATOM 403 C SER A 33 1.118 2.961 -6.805 1.00 0.00 C ATOM 404 O SER A 33 0.019 2.563 -6.420 1.00 0.00 O ATOM 405 CB SER A 33 1.882 2.402 -9.121 1.00 0.00 C ATOM 406 OG SER A 33 2.962 1.877 -9.873 1.00 0.00 O ATOM 0 H SER A 33 0.953 0.295 -7.972 1.00 0.00 H new ATOM 0 HA SER A 33 3.060 2.237 -7.328 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.942 1.999 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.839 3.484 -9.247 1.00 0.00 H new ATOM 0 HG SER A 33 2.844 2.106 -10.819 1.00 0.00 H new ATOM 412 N ILE A 34 1.586 4.174 -6.532 1.00 0.00 N ATOM 413 CA ILE A 34 0.814 5.130 -5.747 1.00 0.00 C ATOM 414 C ILE A 34 0.572 6.416 -6.531 1.00 0.00 C ATOM 415 O ILE A 34 1.476 7.233 -6.696 1.00 0.00 O ATOM 416 CB ILE A 34 1.523 5.475 -4.424 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.981 4.197 -3.717 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.600 6.282 -3.523 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.931 4.450 -2.568 1.00 0.00 C ATOM 0 H ILE A 34 2.495 4.518 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.142 4.657 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 34 2.402 6.080 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.106 3.664 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.467 3.544 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.115 6.518 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.318 7.207 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.295 5.700 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.214 3.500 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.823 4.955 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.442 5.077 -1.823 1.00 0.00 H new ATOM 549 N LEU A 44 6.626 9.372 1.370 1.00 0.00 N ATOM 550 CA LEU A 44 5.758 8.200 1.354 1.00 0.00 C ATOM 551 C LEU A 44 6.367 7.060 2.163 1.00 0.00 C ATOM 552 O LEU A 44 7.388 6.489 1.779 1.00 0.00 O ATOM 553 CB LEU A 44 5.512 7.744 -0.086 1.00 0.00 C ATOM 554 CG LEU A 44 4.382 8.454 -0.832 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.301 7.964 -2.270 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.055 8.239 -0.118 1.00 0.00 C ATOM 0 HA LEU A 44 4.807 8.476 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.434 7.879 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.298 6.675 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 44 4.596 9.523 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.491 8.480 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.243 8.169 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.110 6.891 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.262 8.751 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.834 7.172 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.117 8.639 0.894 1.00 0.00 H new ATOM 568 N SER A 45 5.733 6.733 3.285 1.00 0.00 N ATOM 569 CA SER A 45 6.214 5.661 4.150 1.00 0.00 C ATOM 570 C SER A 45 5.345 4.416 4.006 1.00 0.00 C ATOM 571 O SER A 45 4.124 4.509 3.872 1.00 0.00 O ATOM 572 CB SER A 45 6.226 6.123 5.609 1.00 0.00 C ATOM 573 OG SER A 45 6.922 5.201 6.430 1.00 0.00 O ATOM 0 H SER A 45 4.886 7.194 3.616 1.00 0.00 H new ATOM 0 HA SER A 45 7.230 5.410 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.696 7.104 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.202 6.233 5.967 1.00 0.00 H new ATOM 0 HG SER A 45 6.917 5.520 7.357 1.00 0.00 H new ATOM 579 N ILE A 46 5.984 3.252 4.033 1.00 0.00 N ATOM 580 CA ILE A 46 5.270 1.987 3.906 1.00 0.00 C ATOM 581 C ILE A 46 5.874 0.922 4.816 1.00 0.00 C ATOM 582 O ILE A 46 7.064 0.622 4.733 1.00 0.00 O ATOM 583 CB ILE A 46 5.286 1.474 2.454 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.502 2.424 1.546 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.709 0.068 2.382 1.00 0.00 C ATOM 586 CD1 ILE A 46 4.818 2.255 0.077 1.00 0.00 C ATOM 0 H ILE A 46 6.994 3.158 4.142 1.00 0.00 H new ATOM 0 HA ILE A 46 4.239 2.175 4.204 1.00 0.00 H new ATOM 0 HB ILE A 46 6.319 1.440 2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.435 2.263 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.715 3.452 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.727 -0.280 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.305 -0.602 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.681 0.078 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.226 2.960 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.878 2.445 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.578 1.238 -0.232 1.00 0.00 H new ATOM 598 N ALA A 47 5.042 0.351 5.682 1.00 0.00 N ATOM 599 CA ALA A 47 5.493 -0.683 6.605 1.00 0.00 C ATOM 600 C ALA A 47 4.545 -1.878 6.595 1.00 0.00 C ATOM 601 O ALA A 47 3.416 -1.792 7.080 1.00 0.00 O ATOM 602 CB ALA A 47 5.618 -0.119 8.011 1.00 0.00 C ATOM 0 H ALA A 47 4.053 0.587 5.763 1.00 0.00 H new ATOM 0 HA ALA A 47 6.474 -1.026 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.956 -0.903 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.340 0.698 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.648 0.253 8.341 1.00 0.00 H new ATOM 608 N VAL A 48 5.009 -2.992 6.038 1.00 0.00 N ATOM 609 CA VAL A 48 4.202 -4.205 5.966 1.00 0.00 C ATOM 610 C VAL A 48 4.368 -5.051 7.223 1.00 0.00 C ATOM 611 O VAL A 48 5.446 -5.586 7.484 1.00 0.00 O ATOM 612 CB VAL A 48 4.573 -5.054 4.736 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.894 -6.413 4.799 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.202 -4.323 3.454 1.00 0.00 C ATOM 0 H VAL A 48 5.940 -3.080 5.630 1.00 0.00 H new ATOM 0 HA VAL A 48 3.163 -3.889 5.879 1.00 0.00 H new ATOM 0 HB VAL A 48 5.651 -5.214 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.169 -6.998 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.213 -6.938 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.813 -6.279 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.471 -4.937 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.129 -4.132 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.740 -3.376 3.406 1.00 0.00 H new ATOM 624 N GLU A 49 3.294 -5.170 7.997 1.00 0.00 N ATOM 625 CA GLU A 49 3.322 -5.952 9.227 1.00 0.00 C ATOM 626 C GLU A 49 2.219 -7.007 9.227 1.00 0.00 C ATOM 627 O GLU A 49 1.036 -6.683 9.137 1.00 0.00 O ATOM 628 CB GLU A 49 3.167 -5.037 10.443 1.00 0.00 C ATOM 629 CG GLU A 49 4.300 -4.038 10.602 1.00 0.00 C ATOM 630 CD GLU A 49 3.925 -2.864 11.488 1.00 0.00 C ATOM 631 OE1 GLU A 49 3.145 -3.067 12.441 1.00 0.00 O ATOM 632 OE2 GLU A 49 4.413 -1.745 11.226 1.00 0.00 O ATOM 0 H GLU A 49 2.394 -4.735 7.794 1.00 0.00 H new ATOM 0 HA GLU A 49 4.285 -6.459 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.225 -4.495 10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.105 -5.650 11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.168 -4.544 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.593 -3.668 9.620 1.00 0.00 H new ATOM 639 N GLY A 50 2.618 -8.271 9.327 1.00 0.00 N ATOM 640 CA GLY A 50 1.652 -9.354 9.335 1.00 0.00 C ATOM 641 C GLY A 50 2.017 -10.448 10.320 1.00 0.00 C ATOM 642 O GLY A 50 2.766 -10.232 11.272 1.00 0.00 O ATOM 0 H GLY A 50 3.592 -8.564 9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.668 -8.957 9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.579 -9.780 8.334 1.00 0.00 H new ATOM 646 N PRO A 51 1.478 -11.656 10.095 1.00 0.00 N ATOM 647 CA PRO A 51 1.735 -12.811 10.959 1.00 0.00 C ATOM 648 C PRO A 51 3.167 -13.320 10.837 1.00 0.00 C ATOM 649 O PRO A 51 3.596 -14.186 11.598 1.00 0.00 O ATOM 650 CB PRO A 51 0.748 -13.864 10.448 1.00 0.00 C ATOM 651 CG PRO A 51 0.493 -13.487 9.031 1.00 0.00 C ATOM 652 CD PRO A 51 0.575 -11.986 8.979 1.00 0.00 C ATOM 0 HA PRO A 51 1.610 -12.566 12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.167 -14.868 10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.173 -13.859 11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.230 -13.941 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.487 -13.836 8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.971 -11.638 8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.405 -11.525 9.105 1.00 0.00 H new ATOM 660 N SER A 52 3.903 -12.775 9.872 1.00 0.00 N ATOM 661 CA SER A 52 5.286 -13.177 9.647 1.00 0.00 C ATOM 662 C SER A 52 6.112 -12.007 9.121 1.00 0.00 C ATOM 663 O SER A 52 5.571 -10.964 8.754 1.00 0.00 O ATOM 664 CB SER A 52 5.347 -14.343 8.659 1.00 0.00 C ATOM 665 OG SER A 52 6.599 -15.004 8.725 1.00 0.00 O ATOM 0 H SER A 52 3.564 -12.055 9.234 1.00 0.00 H new ATOM 0 HA SER A 52 5.705 -13.497 10.601 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.547 -15.051 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.180 -13.975 7.647 1.00 0.00 H new ATOM 0 HG SER A 52 6.611 -15.746 8.085 1.00 0.00 H new ATOM 671 N LYS A 53 7.429 -12.188 9.088 1.00 0.00 N ATOM 672 CA LYS A 53 8.331 -11.150 8.607 1.00 0.00 C ATOM 673 C LYS A 53 8.200 -10.970 7.097 1.00 0.00 C ATOM 674 O LYS A 53 8.217 -11.943 6.344 1.00 0.00 O ATOM 675 CB LYS A 53 9.778 -11.498 8.965 1.00 0.00 C ATOM 676 CG LYS A 53 10.772 -10.401 8.622 1.00 0.00 C ATOM 677 CD LYS A 53 12.107 -10.622 9.311 1.00 0.00 C ATOM 678 CE LYS A 53 13.250 -9.992 8.529 1.00 0.00 C ATOM 679 NZ LYS A 53 13.390 -10.592 7.173 1.00 0.00 N ATOM 0 H LYS A 53 7.894 -13.044 9.389 1.00 0.00 H new ATOM 0 HA LYS A 53 8.057 -10.213 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.838 -11.710 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.063 -12.411 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.920 -10.368 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.365 -9.434 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.074 -10.198 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.287 -11.691 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.079 -8.920 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.181 -10.119 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.377 -10.506 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.124 -11.597 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.767 -10.093 6.506 1.00 0.00 H new ATOM 693 N ALA A 54 8.070 -9.720 6.665 1.00 0.00 N ATOM 694 CA ALA A 54 7.938 -9.414 5.245 1.00 0.00 C ATOM 695 C ALA A 54 9.099 -8.553 4.760 1.00 0.00 C ATOM 696 O ALA A 54 9.471 -7.574 5.407 1.00 0.00 O ATOM 697 CB ALA A 54 6.613 -8.716 4.977 1.00 0.00 C ATOM 0 H ALA A 54 8.053 -8.904 7.276 1.00 0.00 H new ATOM 0 HA ALA A 54 7.960 -10.353 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.528 -8.493 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.792 -9.366 5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.569 -7.788 5.547 1.00 0.00 H new ATOM 703 N GLU A 55 9.670 -8.925 3.618 1.00 0.00 N ATOM 704 CA GLU A 55 10.790 -8.186 3.048 1.00 0.00 C ATOM 705 C GLU A 55 10.299 -6.973 2.264 1.00 0.00 C ATOM 706 O GLU A 55 9.266 -7.029 1.597 1.00 0.00 O ATOM 707 CB GLU A 55 11.619 -9.095 2.138 1.00 0.00 C ATOM 708 CG GLU A 55 13.054 -8.632 1.959 1.00 0.00 C ATOM 709 CD GLU A 55 13.897 -8.847 3.201 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.840 -7.996 4.113 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.613 -9.869 3.261 1.00 0.00 O ATOM 0 H GLU A 55 9.375 -9.733 3.070 1.00 0.00 H new ATOM 0 HA GLU A 55 11.417 -7.836 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.621 -10.104 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.140 -9.151 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.503 -9.168 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.060 -7.573 1.699 1.00 0.00 H new ATOM 718 N ILE A 56 11.047 -5.879 2.348 1.00 0.00 N ATOM 719 CA ILE A 56 10.690 -4.653 1.646 1.00 0.00 C ATOM 720 C ILE A 56 11.889 -4.073 0.904 1.00 0.00 C ATOM 721 O ILE A 56 12.989 -3.984 1.451 1.00 0.00 O ATOM 722 CB ILE A 56 10.137 -3.589 2.614 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.899 -4.122 3.339 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.809 -2.309 1.864 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.688 -3.508 4.705 1.00 0.00 C ATOM 0 H ILE A 56 11.905 -5.816 2.896 1.00 0.00 H new ATOM 0 HA ILE A 56 9.914 -4.918 0.927 1.00 0.00 H new ATOM 0 HB ILE A 56 10.901 -3.364 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.019 -3.933 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.987 -5.203 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.420 -1.568 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.712 -1.923 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.060 -2.517 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.793 -3.932 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.551 -3.719 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.567 -2.429 4.604 1.00 0.00 H new ATOM 737 N THR A 57 11.670 -3.679 -0.347 1.00 0.00 N ATOM 738 CA THR A 57 12.733 -3.107 -1.165 1.00 0.00 C ATOM 739 C THR A 57 12.297 -1.786 -1.788 1.00 0.00 C ATOM 740 O THR A 57 11.438 -1.757 -2.669 1.00 0.00 O ATOM 741 CB THR A 57 13.160 -4.073 -2.286 1.00 0.00 C ATOM 742 OG1 THR A 57 13.443 -5.366 -1.737 1.00 0.00 O ATOM 743 CG2 THR A 57 14.387 -3.548 -3.015 1.00 0.00 C ATOM 0 H THR A 57 10.766 -3.746 -0.816 1.00 0.00 H new ATOM 0 HA THR A 57 13.581 -2.931 -0.503 1.00 0.00 H new ATOM 0 HB THR A 57 12.339 -4.152 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.712 -5.975 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.670 -4.247 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.161 -2.577 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.212 -3.443 -2.310 1.00 0.00 H new ATOM 884 N VAL A 68 7.539 0.146 -5.489 1.00 0.00 N ATOM 885 CA VAL A 68 7.567 -0.517 -4.192 1.00 0.00 C ATOM 886 C VAL A 68 7.346 -2.019 -4.336 1.00 0.00 C ATOM 887 O VAL A 68 6.497 -2.459 -5.111 1.00 0.00 O ATOM 888 CB VAL A 68 6.500 0.059 -3.243 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.568 -0.623 -1.885 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.671 1.565 -3.100 1.00 0.00 C ATOM 0 HA VAL A 68 8.555 -0.337 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 68 5.517 -0.134 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.806 -0.203 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.393 -1.692 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.553 -0.464 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.909 1.955 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.659 1.782 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.568 2.037 -4.077 1.00 0.00 H new ATOM 900 N SER A 69 8.113 -2.800 -3.583 1.00 0.00 N ATOM 901 CA SER A 69 8.003 -4.253 -3.629 1.00 0.00 C ATOM 902 C SER A 69 8.005 -4.843 -2.223 1.00 0.00 C ATOM 903 O SER A 69 8.645 -4.311 -1.316 1.00 0.00 O ATOM 904 CB SER A 69 9.153 -4.847 -4.446 1.00 0.00 C ATOM 905 OG SER A 69 10.299 -5.050 -3.639 1.00 0.00 O ATOM 0 H SER A 69 8.818 -2.451 -2.933 1.00 0.00 H new ATOM 0 HA SER A 69 7.057 -4.506 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.840 -5.795 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.399 -4.180 -5.272 1.00 0.00 H new ATOM 0 HG SER A 69 11.019 -5.432 -4.183 1.00 0.00 H new ATOM 911 N TYR A 70 7.286 -5.946 -2.050 1.00 0.00 N ATOM 912 CA TYR A 70 7.202 -6.608 -0.753 1.00 0.00 C ATOM 913 C TYR A 70 6.894 -8.094 -0.919 1.00 0.00 C ATOM 914 O TYR A 70 6.099 -8.481 -1.777 1.00 0.00 O ATOM 915 CB TYR A 70 6.129 -5.946 0.112 1.00 0.00 C ATOM 916 CG TYR A 70 4.753 -6.549 -0.063 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.425 -7.763 0.528 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.782 -5.905 -0.820 1.00 0.00 C ATOM 919 CE1 TYR A 70 3.169 -8.317 0.371 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.524 -6.451 -0.982 1.00 0.00 C ATOM 921 CZ TYR A 70 2.222 -7.657 -0.385 1.00 0.00 C ATOM 922 OH TYR A 70 0.970 -8.206 -0.544 1.00 0.00 O ATOM 0 H TYR A 70 6.753 -6.401 -2.791 1.00 0.00 H new ATOM 0 HA TYR A 70 8.169 -6.509 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.420 -6.023 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.084 -4.884 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.164 -8.282 1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.015 -4.961 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.930 -9.261 0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.781 -5.936 -1.573 1.00 0.00 H new ATOM 0 HH TYR A 70 0.743 -8.738 0.247 1.00 0.00 H new ATOM 932 N ILE A 71 7.526 -8.919 -0.093 1.00 0.00 N ATOM 933 CA ILE A 71 7.318 -10.361 -0.146 1.00 0.00 C ATOM 934 C ILE A 71 6.897 -10.906 1.215 1.00 0.00 C ATOM 935 O ILE A 71 7.358 -10.432 2.254 1.00 0.00 O ATOM 936 CB ILE A 71 8.589 -11.096 -0.610 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.795 -10.903 -2.114 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.500 -12.576 -0.268 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.123 -11.426 -2.614 1.00 0.00 C ATOM 0 H ILE A 71 8.187 -8.614 0.622 1.00 0.00 H new ATOM 0 HA ILE A 71 6.521 -10.539 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 71 9.447 -10.673 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.990 -11.406 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.720 -9.841 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.406 -13.082 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.395 -12.695 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.635 -13.013 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.200 -11.256 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.934 -10.905 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.193 -12.494 -2.410 1.00 0.00 H new ATOM 951 N ALA A 72 6.022 -11.905 1.201 1.00 0.00 N ATOM 952 CA ALA A 72 5.542 -12.518 2.434 1.00 0.00 C ATOM 953 C ALA A 72 5.906 -13.998 2.489 1.00 0.00 C ATOM 954 O ALA A 72 5.228 -14.835 1.894 1.00 0.00 O ATOM 955 CB ALA A 72 4.037 -12.337 2.562 1.00 0.00 C ATOM 0 H ALA A 72 5.630 -12.308 0.350 1.00 0.00 H new ATOM 0 HA ALA A 72 6.029 -12.020 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.692 -12.799 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.798 -11.274 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.540 -12.808 1.714 1.00 0.00 H new ATOM 961 N GLN A 73 6.980 -14.313 3.207 1.00 0.00 N ATOM 962 CA GLN A 73 7.433 -15.692 3.336 1.00 0.00 C ATOM 963 C GLN A 73 6.256 -16.632 3.576 1.00 0.00 C ATOM 964 O GLN A 73 6.169 -17.698 2.967 1.00 0.00 O ATOM 965 CB GLN A 73 8.439 -15.814 4.482 1.00 0.00 C ATOM 966 CG GLN A 73 9.810 -15.246 4.152 1.00 0.00 C ATOM 967 CD GLN A 73 10.395 -15.837 2.885 1.00 0.00 C ATOM 968 OE1 GLN A 73 11.127 -16.826 2.927 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.077 -15.230 1.746 1.00 0.00 N ATOM 0 H GLN A 73 7.551 -13.632 3.707 1.00 0.00 H new ATOM 0 HA GLN A 73 7.918 -15.978 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.043 -15.300 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.545 -16.865 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.735 -14.164 4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.488 -15.436 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.467 -14.413 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.443 -15.581 0.861 1.00 0.00 H new ATOM 978 N GLU A 74 5.354 -16.229 4.465 1.00 0.00 N ATOM 979 CA GLU A 74 4.183 -17.037 4.784 1.00 0.00 C ATOM 980 C GLU A 74 2.897 -16.290 4.442 1.00 0.00 C ATOM 981 O GLU A 74 2.797 -15.073 4.597 1.00 0.00 O ATOM 982 CB GLU A 74 4.187 -17.416 6.266 1.00 0.00 C ATOM 983 CG GLU A 74 5.528 -17.933 6.759 1.00 0.00 C ATOM 984 CD GLU A 74 5.729 -19.407 6.464 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.260 -19.870 5.404 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.356 -20.097 7.296 1.00 0.00 O ATOM 0 H GLU A 74 5.412 -15.349 4.977 1.00 0.00 H new ATOM 0 HA GLU A 74 4.225 -17.946 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.904 -16.544 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.427 -18.178 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.328 -17.360 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.604 -17.768 7.834 1.00 0.00 H new ATOM 993 N PRO A 75 1.889 -17.035 3.966 1.00 0.00 N ATOM 994 CA PRO A 75 0.591 -16.465 3.592 1.00 0.00 C ATOM 995 C PRO A 75 -0.204 -15.989 4.802 1.00 0.00 C ATOM 996 O PRO A 75 -0.099 -16.557 5.888 1.00 0.00 O ATOM 997 CB PRO A 75 -0.125 -17.632 2.907 1.00 0.00 C ATOM 998 CG PRO A 75 0.504 -18.853 3.484 1.00 0.00 C ATOM 999 CD PRO A 75 1.938 -18.492 3.756 1.00 0.00 C ATOM 0 HA PRO A 75 0.700 -15.584 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.197 -17.609 3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.002 -17.595 1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.002 -19.157 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.438 -19.691 2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.324 -19.012 4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.585 -18.756 2.919 1.00 0.00 H new ATOM 1007 N GLY A 76 -1.000 -14.942 4.608 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.801 -14.408 5.693 1.00 0.00 C ATOM 1009 C GLY A 76 -2.265 -12.989 5.428 1.00 0.00 C ATOM 1010 O GLY A 76 -2.038 -12.447 4.348 1.00 0.00 O ATOM 0 H GLY A 76 -1.104 -14.454 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.670 -15.048 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.220 -14.431 6.615 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.918 -12.387 6.417 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.417 -11.024 6.284 1.00 0.00 C ATOM 1016 C ASN A 77 -2.373 -10.014 6.753 1.00 0.00 C ATOM 1017 O ASN A 77 -2.230 -9.765 7.950 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.708 -10.850 7.086 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.491 -11.036 8.576 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.630 -11.809 8.998 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.275 -10.328 9.380 1.00 0.00 N ATOM 0 H ASN A 77 -3.114 -12.822 7.319 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.625 -10.842 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.116 -9.856 6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.449 -11.569 6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.177 -10.412 10.392 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.975 -9.700 8.986 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.648 -9.436 5.802 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.616 -8.455 6.117 1.00 0.00 C ATOM 1030 C TYR A 78 -1.178 -7.038 6.069 1.00 0.00 C ATOM 1031 O TYR A 78 -1.765 -6.626 5.069 1.00 0.00 O ATOM 1032 CB TYR A 78 0.556 -8.585 5.143 1.00 0.00 C ATOM 1033 CG TYR A 78 1.418 -9.802 5.390 1.00 0.00 C ATOM 1034 CD1 TYR A 78 0.880 -11.082 5.334 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.771 -9.672 5.681 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.664 -12.197 5.561 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.562 -10.782 5.907 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.004 -12.042 5.847 1.00 0.00 C ATOM 1039 OH TYR A 78 3.788 -13.150 6.072 1.00 0.00 O ATOM 0 H TYR A 78 -1.756 -9.630 4.806 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.261 -8.651 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.168 -8.626 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.176 -7.691 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.169 -11.208 5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.211 -8.687 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.230 -13.185 5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.612 -10.664 6.130 1.00 0.00 H new ATOM 0 HH TYR A 78 3.614 -13.820 5.378 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.993 -6.297 7.157 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.482 -4.926 7.239 1.00 0.00 C ATOM 1051 C GLU A 79 -0.379 -3.933 6.884 1.00 0.00 C ATOM 1052 O GLU A 79 0.581 -3.760 7.636 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.014 -4.633 8.642 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.097 -3.568 8.672 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.116 -2.793 9.977 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.165 -2.022 10.222 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.082 -2.957 10.751 1.00 0.00 O ATOM 0 H GLU A 79 -0.508 -6.623 7.993 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.294 -4.814 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.410 -5.554 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.186 -4.316 9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.944 -2.875 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.068 -4.038 8.518 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.523 -3.283 5.733 1.00 0.00 N ATOM 1065 CA VAL A 80 0.461 -2.307 5.279 1.00 0.00 C ATOM 1066 C VAL A 80 0.123 -0.910 5.786 1.00 0.00 C ATOM 1067 O VAL A 80 -0.980 -0.408 5.568 1.00 0.00 O ATOM 1068 CB VAL A 80 0.550 -2.275 3.741 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.525 -1.200 3.285 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.957 -3.639 3.203 1.00 0.00 C ATOM 0 H VAL A 80 -1.311 -3.415 5.099 1.00 0.00 H new ATOM 0 HA VAL A 80 1.424 -2.615 5.686 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.435 -2.031 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.575 -1.192 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.186 -0.227 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.514 -1.410 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.015 -3.599 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.931 -3.914 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.217 -4.383 3.499 1.00 0.00 H new ATOM 1080 N SER A 81 1.082 -0.285 6.463 1.00 0.00 N ATOM 1081 CA SER A 81 0.885 1.055 7.005 1.00 0.00 C ATOM 1082 C SER A 81 1.454 2.111 6.063 1.00 0.00 C ATOM 1083 O SER A 81 2.670 2.227 5.905 1.00 0.00 O ATOM 1084 CB SER A 81 1.545 1.173 8.380 1.00 0.00 C ATOM 1085 OG SER A 81 2.952 1.033 8.285 1.00 0.00 O ATOM 0 H SER A 81 2.002 -0.685 6.649 1.00 0.00 H new ATOM 0 HA SER A 81 -0.187 1.225 7.108 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.302 2.139 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.145 0.408 9.046 1.00 0.00 H new ATOM 0 HG SER A 81 3.272 1.489 7.479 1.00 0.00 H new ATOM 1091 N ILE A 82 0.566 2.878 5.439 1.00 0.00 N ATOM 1092 CA ILE A 82 0.980 3.926 4.514 1.00 0.00 C ATOM 1093 C ILE A 82 0.652 5.309 5.066 1.00 0.00 C ATOM 1094 O ILE A 82 -0.481 5.577 5.467 1.00 0.00 O ATOM 1095 CB ILE A 82 0.305 3.761 3.139 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.558 2.356 2.588 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.813 4.817 2.169 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.034 2.155 1.183 1.00 0.00 C ATOM 0 H ILE A 82 -0.444 2.793 5.557 1.00 0.00 H new ATOM 0 HA ILE A 82 2.059 3.833 4.394 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.770 3.895 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.630 2.158 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.092 1.626 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.327 4.687 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.585 5.809 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.891 4.713 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.248 1.137 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.043 2.321 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.519 2.861 0.509 1.00 0.00 H new ATOM 1110 N LYS A 83 1.649 6.186 5.083 1.00 0.00 N ATOM 1111 CA LYS A 83 1.467 7.543 5.582 1.00 0.00 C ATOM 1112 C LYS A 83 1.948 8.568 4.559 1.00 0.00 C ATOM 1113 O LYS A 83 3.101 8.536 4.128 1.00 0.00 O ATOM 1114 CB LYS A 83 2.224 7.729 6.900 1.00 0.00 C ATOM 1115 CG LYS A 83 1.404 7.367 8.126 1.00 0.00 C ATOM 1116 CD LYS A 83 1.817 8.190 9.336 1.00 0.00 C ATOM 1117 CE LYS A 83 3.003 7.566 10.055 1.00 0.00 C ATOM 1118 NZ LYS A 83 3.190 8.140 11.417 1.00 0.00 N ATOM 0 H LYS A 83 2.593 5.981 4.756 1.00 0.00 H new ATOM 0 HA LYS A 83 0.402 7.700 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.125 7.116 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.546 8.767 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.346 7.529 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.527 6.307 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.073 9.201 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.976 8.274 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.855 6.489 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.908 7.723 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.008 7.689 11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.356 9.164 11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.337 7.968 11.986 1.00 0.00 H new ATOM 1132 N PHE A 84 1.057 9.477 4.177 1.00 0.00 N ATOM 1133 CA PHE A 84 1.392 10.513 3.206 1.00 0.00 C ATOM 1134 C PHE A 84 1.744 11.823 3.905 1.00 0.00 C ATOM 1135 O PHE A 84 0.895 12.448 4.539 1.00 0.00 O ATOM 1136 CB PHE A 84 0.223 10.734 2.243 1.00 0.00 C ATOM 1137 CG PHE A 84 0.442 11.872 1.287 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.152 11.681 0.112 1.00 0.00 C ATOM 1139 CD2 PHE A 84 -0.064 13.132 1.562 1.00 0.00 C ATOM 1140 CE1 PHE A 84 1.355 12.727 -0.768 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.135 14.182 0.685 1.00 0.00 C ATOM 1142 CZ PHE A 84 0.845 13.978 -0.483 1.00 0.00 C ATOM 0 H PHE A 84 0.099 9.518 4.524 1.00 0.00 H new ATOM 0 HA PHE A 84 2.263 10.179 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.053 9.820 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.682 10.924 2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.551 10.704 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.621 13.296 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.913 12.566 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.264 15.160 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.001 14.795 -1.171 1.00 0.00 H new ATOM 1152 N ASN A 85 3.003 12.230 3.785 1.00 0.00 N ATOM 1153 CA ASN A 85 3.469 13.465 4.407 1.00 0.00 C ATOM 1154 C ASN A 85 3.298 13.408 5.922 1.00 0.00 C ATOM 1155 O ASN A 85 2.987 14.415 6.559 1.00 0.00 O ATOM 1156 CB ASN A 85 2.707 14.664 3.841 1.00 0.00 C ATOM 1157 CG ASN A 85 3.363 15.231 2.597 1.00 0.00 C ATOM 1158 OD1 ASN A 85 4.491 14.874 2.258 1.00 0.00 O ATOM 1159 ND2 ASN A 85 2.656 16.121 1.909 1.00 0.00 N ATOM 0 H ASN A 85 3.719 11.724 3.264 1.00 0.00 H new ATOM 0 HA ASN A 85 4.530 13.579 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.686 14.364 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.643 15.442 4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.045 16.537 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.724 16.388 2.227 1.00 0.00 H new ATOM 1166 N ASP A 86 3.506 12.227 6.492 1.00 0.00 N ATOM 1167 CA ASP A 86 3.377 12.039 7.933 1.00 0.00 C ATOM 1168 C ASP A 86 1.913 12.091 8.359 1.00 0.00 C ATOM 1169 O ASP A 86 1.576 12.683 9.384 1.00 0.00 O ATOM 1170 CB ASP A 86 4.177 13.106 8.680 1.00 0.00 C ATOM 1171 CG ASP A 86 5.560 13.309 8.095 1.00 0.00 C ATOM 1172 OD1 ASP A 86 5.667 13.966 7.039 1.00 0.00 O ATOM 1173 OD2 ASP A 86 6.537 12.810 8.692 1.00 0.00 O ATOM 0 H ASP A 86 3.765 11.385 5.979 1.00 0.00 H new ATOM 0 HA ASP A 86 3.774 11.056 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.632 14.050 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.268 12.820 9.728 1.00 0.00 H new ATOM 1178 N GLU A 87 1.047 11.471 7.564 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.381 11.449 7.857 1.00 0.00 C ATOM 1180 C GLU A 87 -1.004 10.124 7.432 1.00 0.00 C ATOM 1181 O GLU A 87 -0.600 9.526 6.433 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.087 12.608 7.151 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.133 13.885 7.974 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.972 14.968 7.324 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.096 14.659 6.877 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.504 16.124 7.261 1.00 0.00 O ATOM 0 H GLU A 87 1.310 10.977 6.711 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.506 11.559 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.579 12.811 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.105 12.307 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.536 13.662 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.118 14.255 8.120 1.00 0.00 H new ATOM 1193 N HIS A 88 -1.992 9.668 8.196 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.672 8.412 7.897 1.00 0.00 C ATOM 1195 C HIS A 88 -3.886 8.651 7.005 1.00 0.00 C ATOM 1196 O HIS A 88 -4.935 9.094 7.474 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.104 7.722 9.192 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.083 6.769 9.732 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.072 6.959 10.612 1.00 0.00 N flip ATOM 1200 CD2 HIS A 88 -2.028 5.440 9.369 1.00 0.00 C flip ATOM 1201 CE1 HIS A 88 -0.432 5.753 10.764 1.00 0.00 C flip ATOM 1202 NE2 HIS A 88 -1.029 4.853 10.004 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.339 10.149 9.026 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.974 7.766 7.365 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.315 8.481 9.945 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.034 7.182 9.014 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.697 4.955 8.674 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.421 5.571 11.401 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.764 3.872 9.921 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.736 8.355 5.719 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.820 8.537 4.762 1.00 0.00 C ATOM 1212 C ILE A 89 -6.044 7.719 5.156 1.00 0.00 C ATOM 1213 O ILE A 89 -5.959 6.754 5.916 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.387 8.139 3.339 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.367 7.000 3.391 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.810 9.341 2.604 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.410 6.092 2.183 1.00 0.00 C ATOM 0 H ILE A 89 -2.874 7.988 5.315 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.075 9.597 4.772 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.264 7.791 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.367 7.423 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.544 6.406 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.509 9.043 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.565 10.124 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.943 9.717 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.660 5.309 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.398 5.639 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.203 6.672 1.284 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.213 8.110 4.627 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.478 7.424 4.907 1.00 0.00 C ATOM 1231 C PRO A 90 -8.541 6.041 4.271 1.00 0.00 C ATOM 1232 O PRO A 90 -9.561 5.356 4.353 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.527 8.348 4.283 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.798 9.083 3.213 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.389 9.251 3.713 1.00 0.00 C ATOM 0 HA PRO A 90 -8.621 7.252 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.362 7.779 3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.940 9.034 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.816 8.527 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.261 10.050 3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.667 9.227 2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.256 10.203 4.228 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.445 5.635 3.636 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.377 4.332 2.986 1.00 0.00 C ATOM 1245 C GLU A 91 -6.266 3.479 3.589 1.00 0.00 C ATOM 1246 O GLU A 91 -5.895 2.444 3.038 1.00 0.00 O ATOM 1247 CB GLU A 91 -7.149 4.499 1.482 1.00 0.00 C ATOM 1248 CG GLU A 91 -8.191 5.371 0.801 1.00 0.00 C ATOM 1249 CD GLU A 91 -9.403 4.582 0.345 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -9.310 3.902 -0.698 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -10.445 4.646 1.031 1.00 0.00 O ATOM 0 H GLU A 91 -6.593 6.190 3.558 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.328 3.824 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.162 4.932 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.147 3.516 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.510 6.154 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.740 5.866 -0.059 1.00 0.00 H new ATOM 1258 N SER A 92 -5.737 3.925 4.724 1.00 0.00 N ATOM 1259 CA SER A 92 -4.664 3.206 5.401 1.00 0.00 C ATOM 1260 C SER A 92 -4.935 3.108 6.900 1.00 0.00 C ATOM 1261 O SER A 92 -5.637 3.934 7.484 1.00 0.00 O ATOM 1262 CB SER A 92 -3.323 3.901 5.158 1.00 0.00 C ATOM 1263 OG SER A 92 -3.053 4.857 6.169 1.00 0.00 O ATOM 0 H SER A 92 -6.034 4.780 5.194 1.00 0.00 H new ATOM 0 HA SER A 92 -4.622 2.197 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.525 3.159 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.335 4.390 4.184 1.00 0.00 H new ATOM 0 HG SER A 92 -2.147 5.212 6.050 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.366 2.074 7.538 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.530 1.085 6.852 1.00 0.00 C ATOM 1271 C PRO A 93 -4.338 0.191 5.917 1.00 0.00 C ATOM 1272 O PRO A 93 -5.559 0.100 6.033 1.00 0.00 O ATOM 1273 CB PRO A 93 -2.939 0.263 8.001 1.00 0.00 C ATOM 1274 CG PRO A 93 -3.918 0.410 9.114 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.497 1.792 8.977 1.00 0.00 C ATOM 0 HA PRO A 93 -2.780 1.555 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.816 -0.782 7.718 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.955 0.634 8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.698 -0.348 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.431 0.285 10.081 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.537 1.826 9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.952 2.518 9.580 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.647 -0.467 4.993 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.301 -1.354 4.037 1.00 0.00 C ATOM 1285 C TYR A 94 -4.227 -2.805 4.501 1.00 0.00 C ATOM 1286 O TYR A 94 -3.286 -3.203 5.189 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.657 -1.214 2.658 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.843 0.153 2.037 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.247 1.277 2.593 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.615 0.318 0.894 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.415 2.527 2.030 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.789 1.564 0.323 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.187 2.666 0.895 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.356 3.909 0.330 1.00 0.00 O ATOM 0 H TYR A 94 -2.635 -0.403 4.885 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.350 -1.066 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.591 -1.423 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.078 -1.967 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.642 1.172 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.087 -0.543 0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.945 3.391 2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.393 1.675 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.159 3.907 -0.232 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.227 -3.593 4.120 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.277 -5.001 4.494 1.00 0.00 C ATOM 1306 C LEU A 95 -5.199 -5.897 3.261 1.00 0.00 C ATOM 1307 O LEU A 95 -6.190 -6.085 2.556 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.560 -5.297 5.274 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.588 -6.617 6.043 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.324 -6.780 6.874 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.823 -6.691 6.931 1.00 0.00 C ATOM 0 H LEU A 95 -6.014 -3.280 3.552 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.416 -5.213 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.727 -4.484 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.396 -5.289 4.575 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.632 -7.433 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.363 -7.726 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.454 -6.772 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.248 -5.958 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.827 -7.638 7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.809 -5.867 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.719 -6.622 6.314 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.016 -6.446 3.010 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.810 -7.325 1.865 1.00 0.00 C ATOM 1325 C VAL A 96 -3.717 -8.783 2.298 1.00 0.00 C ATOM 1326 O VAL A 96 -2.693 -9.241 2.805 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.532 -6.948 1.091 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.557 -7.544 -0.308 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.370 -5.437 1.032 1.00 0.00 C ATOM 0 H VAL A 96 -3.186 -6.298 3.583 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.673 -7.199 1.211 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.674 -7.362 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.646 -7.266 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.620 -8.630 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.423 -7.163 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.462 -5.190 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.231 -4.998 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.301 -5.039 2.044 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.811 -9.531 2.097 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.879 -10.950 2.460 1.00 0.00 C ATOM 1341 C PRO A 97 -4.001 -11.819 1.568 1.00 0.00 C ATOM 1342 O PRO A 97 -4.451 -12.327 0.541 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.356 -11.298 2.259 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.843 -10.315 1.251 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.068 -9.050 1.498 1.00 0.00 C ATOM 0 HA PRO A 97 -4.519 -11.129 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.477 -12.322 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.913 -11.216 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.679 -10.682 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.914 -10.144 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.888 -8.502 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.601 -8.377 2.169 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.744 -11.987 1.966 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.802 -12.797 1.202 1.00 0.00 C ATOM 1355 C VAL A 98 -2.151 -14.279 1.292 1.00 0.00 C ATOM 1356 O VAL A 98 -2.317 -14.822 2.385 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.356 -12.591 1.693 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.625 -13.320 0.788 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.026 -11.108 1.767 1.00 0.00 C ATOM 0 H VAL A 98 -2.354 -11.573 2.813 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.875 -12.472 0.164 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.267 -13.010 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.641 -13.163 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.400 -14.386 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.539 -12.934 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.999 -10.980 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.131 -10.662 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.709 -10.617 2.461 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.261 -14.926 0.137 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.589 -16.345 0.086 1.00 0.00 C ATOM 1371 C ILE A 99 -1.444 -17.153 -0.514 1.00 0.00 C ATOM 1372 O ILE A 99 -0.623 -16.624 -1.263 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.866 -16.599 -0.736 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.706 -16.043 -2.152 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -5.072 -15.973 -0.049 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.593 -16.723 -3.172 1.00 0.00 C ATOM 0 H ILE A 99 -2.128 -14.490 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.758 -16.666 1.114 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.028 -17.675 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.929 -14.976 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.666 -16.148 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.967 -16.161 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.194 -16.411 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.919 -14.898 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.427 -16.278 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.355 -17.786 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.638 -16.596 -2.888 1.00 0.00 H new ATOM 1388 N ALA A 100 -1.395 -18.439 -0.180 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.353 -19.321 -0.689 1.00 0.00 C ATOM 1390 C ALA A 100 -0.703 -19.841 -2.079 1.00 0.00 C ATOM 1391 O ALA A 100 -1.641 -20.617 -2.261 1.00 0.00 O ATOM 1392 CB ALA A 100 -0.130 -20.482 0.269 1.00 0.00 C ATOM 0 H ALA A 100 -2.065 -18.892 0.441 1.00 0.00 H new ATOM 0 HA ALA A 100 0.569 -18.745 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.651 -21.133 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.174 -20.097 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.055 -21.049 0.375 1.00 0.00 H new ATOM 1398 N PRO A 101 0.067 -19.402 -3.087 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.143 -19.810 -4.479 1.00 0.00 C ATOM 1400 C PRO A 101 0.212 -21.274 -4.714 1.00 0.00 C ATOM 1401 O PRO A 101 1.289 -21.731 -4.330 1.00 0.00 O ATOM 1402 CB PRO A 101 0.803 -18.897 -5.263 1.00 0.00 C ATOM 1403 CG PRO A 101 1.871 -18.533 -4.289 1.00 0.00 C ATOM 1404 CD PRO A 101 1.202 -18.475 -2.944 1.00 0.00 C ATOM 0 HA PRO A 101 -1.188 -19.720 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.217 -19.408 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.284 -18.012 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.673 -19.272 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.320 -17.573 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.876 -18.786 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.868 -17.465 -2.704 1.00 0.00 H new