USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 Single : A 37 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.9!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -29:sc= -0.0637 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 62 THR OG1 : rot 117:sc= 0.183 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 71:sc= 0.697 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -118:sc= -0.308 (180deg=-2.77!) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0952) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -5.439 13.262 10.849 1.00 0.00 N ATOM 30 CA ASP A 31 -4.521 13.145 9.681 1.00 0.00 C ATOM 31 C ASP A 31 -4.597 11.726 9.113 1.00 0.00 C ATOM 32 O ASP A 31 -5.430 10.934 9.504 1.00 0.00 O ATOM 33 CB ASP A 31 -3.088 13.441 10.127 1.00 0.00 C ATOM 34 CG ASP A 31 -2.683 12.459 11.228 1.00 0.00 C ATOM 35 OD1 ASP A 31 -3.484 12.239 12.122 1.00 0.00 O ATOM 36 OD2 ASP A 31 -1.579 11.944 11.159 1.00 0.00 O ATOM 0 HA ASP A 31 -4.817 13.860 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.407 13.355 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.014 14.465 10.493 1.00 0.00 H new ATOM 41 N GLY A 32 -3.732 11.399 8.192 1.00 0.00 N ATOM 42 CA GLY A 32 -3.754 10.032 7.600 1.00 0.00 C ATOM 43 C GLY A 32 -2.678 9.925 6.518 1.00 0.00 C ATOM 44 O GLY A 32 -2.580 10.761 5.642 1.00 0.00 O ATOM 0 H GLY A 32 -3.011 12.020 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.580 9.286 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.735 9.825 7.173 1.00 0.00 H new ATOM 48 N VAL A 33 -1.870 8.902 6.571 1.00 0.00 N ATOM 49 CA VAL A 33 -0.802 8.743 5.545 1.00 0.00 C ATOM 50 C VAL A 33 -0.476 7.258 5.373 1.00 0.00 C ATOM 51 O VAL A 33 0.011 6.610 6.279 1.00 0.00 O ATOM 52 CB VAL A 33 0.454 9.491 5.996 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.107 10.957 6.263 1.00 0.00 C ATOM 54 CG2 VAL A 33 0.992 8.854 7.279 1.00 0.00 C ATOM 0 H VAL A 33 -1.903 8.170 7.280 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.148 9.152 4.595 1.00 0.00 H new ATOM 0 HB VAL A 33 1.212 9.433 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.002 11.490 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.278 11.412 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.650 11.015 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.887 9.386 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.234 8.912 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.239 7.809 7.091 1.00 0.00 H new ATOM 64 N VAL A 34 -0.741 6.713 4.217 1.00 0.00 N ATOM 65 CA VAL A 34 -0.446 5.270 3.989 1.00 0.00 C ATOM 66 C VAL A 34 0.969 5.121 3.427 1.00 0.00 C ATOM 67 O VAL A 34 1.419 5.923 2.632 1.00 0.00 O ATOM 68 CB VAL A 34 -1.453 4.695 2.992 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.401 3.167 3.035 1.00 0.00 C ATOM 70 CG2 VAL A 34 -2.862 5.166 3.363 1.00 0.00 C ATOM 0 H VAL A 34 -1.149 7.204 3.421 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.521 4.731 4.933 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.205 5.038 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.119 2.758 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.398 2.830 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.648 2.823 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.581 4.757 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.108 4.822 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.901 6.255 3.333 1.00 0.00 H new ATOM 80 N ARG A 35 1.675 4.102 3.833 1.00 0.00 N ATOM 81 CA ARG A 35 3.060 3.903 3.322 1.00 0.00 C ATOM 82 C ARG A 35 3.136 2.582 2.554 1.00 0.00 C ATOM 83 O ARG A 35 3.069 1.514 3.130 1.00 0.00 O ATOM 84 CB ARG A 35 4.038 3.867 4.498 1.00 0.00 C ATOM 85 CG ARG A 35 5.462 3.669 3.973 1.00 0.00 C ATOM 86 CD ARG A 35 6.423 3.507 5.152 1.00 0.00 C ATOM 87 NE ARG A 35 7.793 3.221 4.640 1.00 0.00 N ATOM 88 CZ ARG A 35 8.824 3.346 5.430 1.00 0.00 C ATOM 89 NH1 ARG A 35 9.105 4.507 5.957 1.00 0.00 N ATOM 90 NH2 ARG A 35 9.574 2.312 5.693 1.00 0.00 N ATOM 0 H ARG A 35 1.352 3.398 4.497 1.00 0.00 H new ATOM 0 HA ARG A 35 3.323 4.725 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.974 4.795 5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.774 3.058 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.505 2.789 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.758 4.523 3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.431 4.414 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.088 2.696 5.799 1.00 0.00 H new ATOM 0 HE ARG A 35 7.925 2.928 3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.519 5.316 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.911 4.605 6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.355 1.405 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.380 2.410 6.311 1.00 0.00 H new ATOM 104 N ILE A 36 3.276 2.645 1.258 1.00 0.00 N ATOM 105 CA ILE A 36 3.356 1.392 0.456 1.00 0.00 C ATOM 106 C ILE A 36 4.788 1.200 -0.049 1.00 0.00 C ATOM 107 O ILE A 36 5.165 1.712 -1.084 1.00 0.00 O ATOM 108 CB ILE A 36 2.404 1.489 -0.737 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.011 1.891 -0.245 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.322 0.131 -1.437 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.689 3.307 -0.726 1.00 0.00 C ATOM 0 H ILE A 36 3.338 3.510 0.720 1.00 0.00 H new ATOM 0 HA ILE A 36 3.073 0.543 1.079 1.00 0.00 H new ATOM 0 HB ILE A 36 2.775 2.238 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.265 1.190 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.971 1.847 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.643 0.200 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.313 -0.159 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.951 -0.617 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.303 3.593 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.429 4.003 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.711 3.335 -1.815 1.00 0.00 H new ATOM 123 N GLN A 37 5.588 0.466 0.674 1.00 0.00 N ATOM 124 CA GLN A 37 6.995 0.243 0.235 1.00 0.00 C ATOM 125 C GLN A 37 7.038 -0.911 -0.769 1.00 0.00 C ATOM 126 O GLN A 37 6.027 -1.497 -1.100 1.00 0.00 O ATOM 127 CB GLN A 37 7.859 -0.106 1.449 1.00 0.00 C ATOM 128 CG GLN A 37 9.220 0.580 1.320 1.00 0.00 C ATOM 129 CD GLN A 37 10.330 -0.471 1.377 1.00 0.00 C ATOM 130 OE1 GLN A 37 10.133 -1.601 0.974 1.00 0.00 O ATOM 131 NE2 GLN A 37 11.496 -0.146 1.864 1.00 0.00 N ATOM 0 H GLN A 37 5.329 0.011 1.549 1.00 0.00 H new ATOM 0 HA GLN A 37 7.377 1.149 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.364 0.214 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.989 -1.186 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.274 1.130 0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.351 1.306 2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.661 0.802 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.242 -0.840 1.907 1.00 0.00 H new ATOM 140 N ARG A 38 8.202 -1.240 -1.258 1.00 0.00 N ATOM 141 CA ARG A 38 8.309 -2.356 -2.241 1.00 0.00 C ATOM 142 C ARG A 38 9.608 -3.127 -1.997 1.00 0.00 C ATOM 143 O ARG A 38 10.679 -2.690 -2.369 1.00 0.00 O ATOM 144 CB ARG A 38 8.313 -1.786 -3.661 1.00 0.00 C ATOM 145 CG ARG A 38 9.359 -0.674 -3.762 1.00 0.00 C ATOM 146 CD ARG A 38 10.253 -0.924 -4.978 1.00 0.00 C ATOM 147 NE ARG A 38 9.436 -0.842 -6.221 1.00 0.00 N ATOM 148 CZ ARG A 38 10.023 -0.734 -7.382 1.00 0.00 C ATOM 149 NH1 ARG A 38 11.286 -1.040 -7.506 1.00 0.00 N ATOM 150 NH2 ARG A 38 9.348 -0.319 -8.418 1.00 0.00 N ATOM 0 H ARG A 38 9.083 -0.785 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 38 7.459 -3.028 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.535 -2.575 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.326 -1.395 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.868 0.295 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.962 -0.643 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.057 -0.188 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.722 -1.905 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 38 8.418 -0.870 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.814 -1.364 -6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.745 -0.956 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.361 -0.079 -8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.807 -0.235 -9.325 1.00 0.00 H new ATOM 164 N GLN A 39 9.522 -4.271 -1.375 1.00 0.00 N ATOM 165 CA GLN A 39 10.752 -5.068 -1.109 1.00 0.00 C ATOM 166 C GLN A 39 11.031 -5.988 -2.299 1.00 0.00 C ATOM 167 O GLN A 39 10.169 -6.716 -2.748 1.00 0.00 O ATOM 168 CB GLN A 39 10.550 -5.911 0.152 1.00 0.00 C ATOM 169 CG GLN A 39 11.863 -5.982 0.935 1.00 0.00 C ATOM 170 CD GLN A 39 11.715 -6.972 2.092 1.00 0.00 C ATOM 171 OE1 GLN A 39 10.623 -7.209 2.568 1.00 0.00 O ATOM 172 NE2 GLN A 39 12.776 -7.564 2.567 1.00 0.00 N ATOM 0 H GLN A 39 8.653 -4.688 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 39 11.597 -4.395 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.767 -5.474 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.220 -6.914 -0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.674 -6.294 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.124 -4.995 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.693 -7.365 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.689 -8.226 3.338 1.00 0.00 H new ATOM 181 N THR A 40 12.231 -5.962 -2.812 1.00 0.00 N ATOM 182 CA THR A 40 12.564 -6.836 -3.972 1.00 0.00 C ATOM 183 C THR A 40 13.863 -7.592 -3.685 1.00 0.00 C ATOM 184 O THR A 40 14.744 -7.096 -3.011 1.00 0.00 O ATOM 185 CB THR A 40 12.741 -5.975 -5.225 1.00 0.00 C ATOM 186 OG1 THR A 40 13.821 -5.073 -5.029 1.00 0.00 O ATOM 187 CG2 THR A 40 11.457 -5.188 -5.492 1.00 0.00 C ATOM 0 H THR A 40 12.994 -5.374 -2.478 1.00 0.00 H new ATOM 0 HA THR A 40 11.756 -7.550 -4.133 1.00 0.00 H new ATOM 0 HB THR A 40 12.954 -6.617 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.937 -4.522 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.585 -4.575 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.630 -5.882 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.240 -4.545 -4.639 1.00 0.00 H new ATOM 266 N LYS A 46 10.645 -11.152 -8.989 1.00 0.00 N ATOM 267 CA LYS A 46 9.426 -11.142 -8.133 1.00 0.00 C ATOM 268 C LYS A 46 9.242 -9.751 -7.524 1.00 0.00 C ATOM 269 O LYS A 46 10.075 -8.879 -7.681 1.00 0.00 O ATOM 270 CB LYS A 46 9.581 -12.173 -7.012 1.00 0.00 C ATOM 271 CG LYS A 46 10.989 -12.076 -6.421 1.00 0.00 C ATOM 272 CD LYS A 46 11.126 -13.067 -5.264 1.00 0.00 C ATOM 273 CE LYS A 46 12.490 -12.886 -4.595 1.00 0.00 C ATOM 274 NZ LYS A 46 12.668 -13.924 -3.540 1.00 0.00 N ATOM 0 HA LYS A 46 8.555 -11.392 -8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.836 -11.997 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.406 -13.177 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.733 -12.291 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.178 -11.062 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.329 -12.907 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.022 -14.088 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.284 -12.966 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.563 -11.891 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.595 -13.801 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.917 -13.827 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.616 -14.869 -3.971 1.00 0.00 H new ATOM 288 N GLY A 47 8.158 -9.534 -6.831 1.00 0.00 N ATOM 289 CA GLY A 47 7.923 -8.198 -6.214 1.00 0.00 C ATOM 290 C GLY A 47 6.871 -8.321 -5.111 1.00 0.00 C ATOM 291 O GLY A 47 5.942 -9.098 -5.209 1.00 0.00 O ATOM 0 H GLY A 47 7.425 -10.224 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.853 -7.808 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.589 -7.490 -6.972 1.00 0.00 H new ATOM 295 N VAL A 48 7.008 -7.559 -4.060 1.00 0.00 N ATOM 296 CA VAL A 48 6.015 -7.631 -2.952 1.00 0.00 C ATOM 297 C VAL A 48 5.674 -6.216 -2.481 1.00 0.00 C ATOM 298 O VAL A 48 6.467 -5.303 -2.603 1.00 0.00 O ATOM 299 CB VAL A 48 6.608 -8.427 -1.788 1.00 0.00 C ATOM 300 CG1 VAL A 48 6.930 -9.849 -2.253 1.00 0.00 C ATOM 301 CG2 VAL A 48 7.891 -7.746 -1.308 1.00 0.00 C ATOM 0 H VAL A 48 7.765 -6.890 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 48 5.110 -8.124 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 48 5.888 -8.467 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.353 -10.416 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.017 -10.335 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.650 -9.810 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.315 -8.312 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.610 -7.707 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.663 -6.733 -0.977 1.00 0.00 H new ATOM 311 N CYS A 49 4.500 -6.025 -1.943 1.00 0.00 N ATOM 312 CA CYS A 49 4.112 -4.668 -1.466 1.00 0.00 C ATOM 313 C CYS A 49 3.560 -4.765 -0.042 1.00 0.00 C ATOM 314 O CYS A 49 2.705 -5.578 0.249 1.00 0.00 O ATOM 315 CB CYS A 49 3.039 -4.090 -2.391 1.00 0.00 C ATOM 316 SG CYS A 49 3.701 -2.643 -3.254 1.00 0.00 S ATOM 0 H CYS A 49 3.794 -6.750 -1.813 1.00 0.00 H new ATOM 0 HA CYS A 49 4.986 -4.017 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.722 -4.843 -3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.158 -3.811 -1.813 1.00 0.00 H new ATOM 0 HG CYS A 49 4.609 -2.076 -2.517 1.00 0.00 H new ATOM 322 N LEU A 50 4.041 -3.941 0.848 1.00 0.00 N ATOM 323 CA LEU A 50 3.545 -3.985 2.252 1.00 0.00 C ATOM 324 C LEU A 50 2.905 -2.642 2.609 1.00 0.00 C ATOM 325 O LEU A 50 3.579 -1.641 2.753 1.00 0.00 O ATOM 326 CB LEU A 50 4.715 -4.259 3.198 1.00 0.00 C ATOM 327 CG LEU A 50 5.408 -5.560 2.791 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.601 -5.243 1.888 1.00 0.00 C ATOM 329 CD2 LEU A 50 5.898 -6.289 4.044 1.00 0.00 C ATOM 0 H LEU A 50 4.757 -3.238 0.663 1.00 0.00 H new ATOM 0 HA LEU A 50 2.804 -4.779 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.424 -3.432 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.357 -4.332 4.225 1.00 0.00 H new ATOM 0 HG LEU A 50 4.703 -6.193 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.095 -6.171 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.254 -4.723 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.306 -4.609 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.392 -7.217 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.603 -5.655 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.049 -6.516 4.689 1.00 0.00 H new ATOM 341 N ILE A 51 1.608 -2.610 2.752 1.00 0.00 N ATOM 342 CA ILE A 51 0.928 -1.331 3.100 1.00 0.00 C ATOM 343 C ILE A 51 0.628 -1.304 4.600 1.00 0.00 C ATOM 344 O ILE A 51 -0.045 -2.169 5.124 1.00 0.00 O ATOM 345 CB ILE A 51 -0.382 -1.220 2.317 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.072 -1.077 0.825 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.160 0.008 2.794 1.00 0.00 C ATOM 348 CD1 ILE A 51 -0.151 -2.448 0.152 1.00 0.00 C ATOM 0 H ILE A 51 0.990 -3.414 2.643 1.00 0.00 H new ATOM 0 HA ILE A 51 1.577 -0.494 2.844 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.981 -2.116 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.780 -0.391 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.922 -0.650 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.093 0.087 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.380 -0.091 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.562 0.904 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.070 -2.345 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.574 -3.120 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.154 -2.857 0.276 1.00 0.00 H new ATOM 360 N THR A 52 1.124 -0.317 5.295 1.00 0.00 N ATOM 361 CA THR A 52 0.867 -0.236 6.761 1.00 0.00 C ATOM 362 C THR A 52 1.064 1.205 7.235 1.00 0.00 C ATOM 363 O THR A 52 1.593 2.036 6.524 1.00 0.00 O ATOM 364 CB THR A 52 1.843 -1.154 7.501 1.00 0.00 C ATOM 365 OG1 THR A 52 1.560 -1.120 8.893 1.00 0.00 O ATOM 366 CG2 THR A 52 3.277 -0.681 7.258 1.00 0.00 C ATOM 0 H THR A 52 1.695 0.436 4.912 1.00 0.00 H new ATOM 0 HA THR A 52 -0.156 -0.550 6.968 1.00 0.00 H new ATOM 0 HB THR A 52 1.733 -2.174 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.183 -1.709 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.970 -1.336 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.493 -0.709 6.190 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.391 0.339 7.625 1.00 0.00 H new ATOM 374 N GLY A 53 0.643 1.508 8.433 1.00 0.00 N ATOM 375 CA GLY A 53 0.807 2.896 8.952 1.00 0.00 C ATOM 376 C GLY A 53 -0.344 3.769 8.450 1.00 0.00 C ATOM 377 O GLY A 53 -0.138 4.859 7.953 1.00 0.00 O ATOM 0 H GLY A 53 0.193 0.855 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.823 2.888 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.761 3.308 8.622 1.00 0.00 H new ATOM 381 N VAL A 54 -1.556 3.300 8.574 1.00 0.00 N ATOM 382 CA VAL A 54 -2.718 4.105 8.104 1.00 0.00 C ATOM 383 C VAL A 54 -3.427 4.729 9.307 1.00 0.00 C ATOM 384 O VAL A 54 -3.944 4.039 10.163 1.00 0.00 O ATOM 385 CB VAL A 54 -3.694 3.199 7.350 1.00 0.00 C ATOM 386 CG1 VAL A 54 -4.764 4.054 6.670 1.00 0.00 C ATOM 387 CG2 VAL A 54 -2.931 2.401 6.291 1.00 0.00 C ATOM 0 H VAL A 54 -1.791 2.394 8.980 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.368 4.895 7.440 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.170 2.514 8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.459 3.408 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.307 4.624 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.290 4.740 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.624 1.755 5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.456 3.088 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.168 1.791 6.775 1.00 0.00 H new ATOM 397 N ASP A 55 -3.457 6.032 9.380 1.00 0.00 N ATOM 398 CA ASP A 55 -4.132 6.700 10.528 1.00 0.00 C ATOM 399 C ASP A 55 -5.634 6.796 10.250 1.00 0.00 C ATOM 400 O ASP A 55 -6.132 7.821 9.828 1.00 0.00 O ATOM 401 CB ASP A 55 -3.556 8.105 10.712 1.00 0.00 C ATOM 402 CG ASP A 55 -3.197 8.322 12.183 1.00 0.00 C ATOM 403 OD1 ASP A 55 -2.319 7.627 12.666 1.00 0.00 O ATOM 404 OD2 ASP A 55 -3.807 9.179 12.801 1.00 0.00 O ATOM 0 H ASP A 55 -3.043 6.663 8.694 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.967 6.119 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.671 8.231 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.282 8.852 10.390 1.00 0.00 H new ATOM 409 N LEU A 56 -6.359 5.737 10.482 1.00 0.00 N ATOM 410 CA LEU A 56 -7.828 5.770 10.231 1.00 0.00 C ATOM 411 C LEU A 56 -8.529 4.793 11.177 1.00 0.00 C ATOM 412 O LEU A 56 -7.895 4.054 11.903 1.00 0.00 O ATOM 413 CB LEU A 56 -8.107 5.365 8.782 1.00 0.00 C ATOM 414 CG LEU A 56 -7.916 6.576 7.867 1.00 0.00 C ATOM 415 CD1 LEU A 56 -8.129 6.155 6.412 1.00 0.00 C ATOM 416 CD2 LEU A 56 -8.933 7.658 8.238 1.00 0.00 C ATOM 0 H LEU A 56 -5.998 4.850 10.834 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.204 6.778 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.435 4.560 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.124 4.983 8.689 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.906 6.968 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.993 7.018 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.407 5.383 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.139 5.764 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.799 8.522 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.943 7.265 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.783 7.958 9.275 1.00 0.00 H new ATOM 428 N ASP A 57 -9.834 4.783 11.174 1.00 0.00 N ATOM 429 CA ASP A 57 -10.574 3.854 12.073 1.00 0.00 C ATOM 430 C ASP A 57 -10.135 2.415 11.794 1.00 0.00 C ATOM 431 O ASP A 57 -9.494 2.134 10.800 1.00 0.00 O ATOM 432 CB ASP A 57 -12.077 3.986 11.818 1.00 0.00 C ATOM 433 CG ASP A 57 -12.736 4.699 13.000 1.00 0.00 C ATOM 434 OD1 ASP A 57 -12.025 5.360 13.739 1.00 0.00 O ATOM 435 OD2 ASP A 57 -13.940 4.573 13.146 1.00 0.00 O ATOM 0 H ASP A 57 -10.419 5.378 10.588 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.358 4.105 13.111 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.253 4.545 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.521 3.000 11.681 1.00 0.00 H new ATOM 440 N ASP A 58 -10.474 1.502 12.662 1.00 0.00 N ATOM 441 CA ASP A 58 -10.075 0.083 12.444 1.00 0.00 C ATOM 442 C ASP A 58 -10.932 -0.521 11.330 1.00 0.00 C ATOM 443 O ASP A 58 -10.470 -1.324 10.544 1.00 0.00 O ATOM 444 CB ASP A 58 -10.284 -0.710 13.736 1.00 0.00 C ATOM 445 CG ASP A 58 -8.976 -0.751 14.528 1.00 0.00 C ATOM 446 OD1 ASP A 58 -8.213 0.195 14.422 1.00 0.00 O ATOM 447 OD2 ASP A 58 -8.760 -1.728 15.226 1.00 0.00 O ATOM 0 H ASP A 58 -11.010 1.677 13.512 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.024 0.040 12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.070 -0.249 14.335 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.613 -1.723 13.504 1.00 0.00 H new ATOM 452 N ALA A 59 -12.179 -0.141 11.256 1.00 0.00 N ATOM 453 CA ALA A 59 -13.064 -0.694 10.192 1.00 0.00 C ATOM 454 C ALA A 59 -12.731 -0.026 8.856 1.00 0.00 C ATOM 455 O ALA A 59 -12.888 -0.611 7.803 1.00 0.00 O ATOM 456 CB ALA A 59 -14.525 -0.419 10.550 1.00 0.00 C ATOM 0 H ALA A 59 -12.622 0.528 11.886 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.907 -1.770 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -15.173 -0.823 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -14.762 -0.894 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -14.683 0.656 10.631 1.00 0.00 H new ATOM 462 N GLU A 60 -12.271 1.195 8.890 1.00 0.00 N ATOM 463 CA GLU A 60 -11.928 1.897 7.621 1.00 0.00 C ATOM 464 C GLU A 60 -10.719 1.218 6.976 1.00 0.00 C ATOM 465 O GLU A 60 -10.612 1.136 5.768 1.00 0.00 O ATOM 466 CB GLU A 60 -11.593 3.360 7.921 1.00 0.00 C ATOM 467 CG GLU A 60 -12.881 4.186 7.935 1.00 0.00 C ATOM 468 CD GLU A 60 -12.969 5.019 6.654 1.00 0.00 C ATOM 469 OE1 GLU A 60 -12.633 4.494 5.605 1.00 0.00 O ATOM 470 OE2 GLU A 60 -13.370 6.167 6.745 1.00 0.00 O ATOM 0 H GLU A 60 -12.118 1.736 9.741 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.777 1.853 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.088 3.438 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.907 3.749 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.746 3.528 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.897 4.839 8.808 1.00 0.00 H new ATOM 477 N LEU A 61 -9.807 0.728 7.771 1.00 0.00 N ATOM 478 CA LEU A 61 -8.608 0.053 7.201 1.00 0.00 C ATOM 479 C LEU A 61 -9.039 -1.239 6.504 1.00 0.00 C ATOM 480 O LEU A 61 -8.606 -1.538 5.409 1.00 0.00 O ATOM 481 CB LEU A 61 -7.623 -0.275 8.324 1.00 0.00 C ATOM 482 CG LEU A 61 -6.505 0.770 8.342 1.00 0.00 C ATOM 483 CD1 LEU A 61 -6.401 1.383 9.740 1.00 0.00 C ATOM 484 CD2 LEU A 61 -5.178 0.100 7.979 1.00 0.00 C ATOM 0 H LEU A 61 -9.841 0.766 8.790 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.126 0.713 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.140 -0.287 9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.203 -1.270 8.175 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.728 1.554 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.605 2.127 9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.347 1.859 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.178 0.600 10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.380 0.843 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.956 -0.683 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.252 -0.337 6.983 1.00 0.00 H new ATOM 496 N THR A 62 -9.892 -2.004 7.128 1.00 0.00 N ATOM 497 CA THR A 62 -10.353 -3.273 6.497 1.00 0.00 C ATOM 498 C THR A 62 -11.057 -2.952 5.177 1.00 0.00 C ATOM 499 O THR A 62 -10.838 -3.597 4.172 1.00 0.00 O ATOM 500 CB THR A 62 -11.330 -3.985 7.436 1.00 0.00 C ATOM 501 OG1 THR A 62 -10.643 -4.390 8.612 1.00 0.00 O ATOM 502 CG2 THR A 62 -11.912 -5.213 6.735 1.00 0.00 C ATOM 0 H THR A 62 -10.289 -1.806 8.046 1.00 0.00 H new ATOM 0 HA THR A 62 -9.496 -3.920 6.308 1.00 0.00 H new ATOM 0 HB THR A 62 -12.139 -3.305 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.024 -3.930 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.607 -5.719 7.405 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.439 -4.902 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.105 -5.895 6.467 1.00 0.00 H new ATOM 510 N LYS A 63 -11.900 -1.956 5.174 1.00 0.00 N ATOM 511 CA LYS A 63 -12.616 -1.589 3.920 1.00 0.00 C ATOM 512 C LYS A 63 -11.594 -1.274 2.826 1.00 0.00 C ATOM 513 O LYS A 63 -11.675 -1.778 1.723 1.00 0.00 O ATOM 514 CB LYS A 63 -13.487 -0.357 4.175 1.00 0.00 C ATOM 515 CG LYS A 63 -14.439 -0.148 2.995 1.00 0.00 C ATOM 516 CD LYS A 63 -15.417 0.981 3.324 1.00 0.00 C ATOM 517 CE LYS A 63 -16.595 0.939 2.348 1.00 0.00 C ATOM 518 NZ LYS A 63 -17.464 2.130 2.567 1.00 0.00 N ATOM 0 H LYS A 63 -12.124 -1.381 5.986 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.246 -2.420 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.056 -0.486 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.859 0.524 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.873 0.097 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.985 -1.068 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.776 0.878 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.911 1.944 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.230 0.926 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.170 0.024 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.265 2.102 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.822 2.123 3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.912 2.997 2.407 1.00 0.00 H new ATOM 532 N LEU A 64 -10.630 -0.446 3.123 1.00 0.00 N ATOM 533 CA LEU A 64 -9.602 -0.099 2.103 1.00 0.00 C ATOM 534 C LEU A 64 -8.942 -1.379 1.587 1.00 0.00 C ATOM 535 O LEU A 64 -8.686 -1.526 0.408 1.00 0.00 O ATOM 536 CB LEU A 64 -8.539 0.801 2.738 1.00 0.00 C ATOM 537 CG LEU A 64 -8.616 2.199 2.123 1.00 0.00 C ATOM 538 CD1 LEU A 64 -8.249 2.127 0.640 1.00 0.00 C ATOM 539 CD2 LEU A 64 -10.039 2.741 2.269 1.00 0.00 C ATOM 0 H LEU A 64 -10.510 0.006 4.030 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.076 0.425 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.693 0.858 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.547 0.377 2.579 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.919 2.860 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.304 3.124 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.235 1.740 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.945 1.466 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.095 3.738 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.735 2.079 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.302 2.794 3.326 1.00 0.00 H new ATOM 551 N ALA A 65 -8.663 -2.307 2.461 1.00 0.00 N ATOM 552 CA ALA A 65 -8.019 -3.577 2.022 1.00 0.00 C ATOM 553 C ALA A 65 -8.949 -4.317 1.058 1.00 0.00 C ATOM 554 O ALA A 65 -8.510 -4.931 0.106 1.00 0.00 O ATOM 555 CB ALA A 65 -7.743 -4.457 3.242 1.00 0.00 C ATOM 0 H ALA A 65 -8.853 -2.240 3.461 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.080 -3.351 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.272 -5.386 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.078 -3.931 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.682 -4.682 3.748 1.00 0.00 H new ATOM 561 N ALA A 66 -10.231 -4.265 1.298 1.00 0.00 N ATOM 562 CA ALA A 66 -11.186 -4.968 0.395 1.00 0.00 C ATOM 563 C ALA A 66 -11.250 -4.240 -0.949 1.00 0.00 C ATOM 564 O ALA A 66 -11.460 -4.843 -1.983 1.00 0.00 O ATOM 565 CB ALA A 66 -12.576 -4.983 1.035 1.00 0.00 C ATOM 0 H ALA A 66 -10.658 -3.767 2.079 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.848 -5.992 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.275 -5.497 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.531 -5.504 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.914 -3.959 1.195 1.00 0.00 H new ATOM 571 N GLU A 67 -11.072 -2.948 -0.945 1.00 0.00 N ATOM 572 CA GLU A 67 -11.123 -2.184 -2.223 1.00 0.00 C ATOM 573 C GLU A 67 -9.874 -2.493 -3.051 1.00 0.00 C ATOM 574 O GLU A 67 -9.929 -2.599 -4.260 1.00 0.00 O ATOM 575 CB GLU A 67 -11.177 -0.685 -1.920 1.00 0.00 C ATOM 576 CG GLU A 67 -12.549 -0.330 -1.345 1.00 0.00 C ATOM 577 CD GLU A 67 -12.611 1.172 -1.060 1.00 0.00 C ATOM 578 OE1 GLU A 67 -11.587 1.729 -0.699 1.00 0.00 O ATOM 579 OE2 GLU A 67 -13.681 1.739 -1.207 1.00 0.00 O ATOM 0 H GLU A 67 -10.893 -2.388 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.012 -2.473 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.394 -0.418 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.993 -0.113 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.333 -0.610 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.727 -0.892 -0.428 1.00 0.00 H new ATOM 586 N LEU A 68 -8.747 -2.639 -2.409 1.00 0.00 N ATOM 587 CA LEU A 68 -7.495 -2.940 -3.159 1.00 0.00 C ATOM 588 C LEU A 68 -7.577 -4.350 -3.746 1.00 0.00 C ATOM 589 O LEU A 68 -7.425 -4.547 -4.935 1.00 0.00 O ATOM 590 CB LEU A 68 -6.298 -2.853 -2.210 1.00 0.00 C ATOM 591 CG LEU A 68 -5.806 -1.407 -2.137 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.983 -1.211 -0.863 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.935 -1.104 -3.358 1.00 0.00 C ATOM 0 H LEU A 68 -8.639 -2.563 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.373 -2.217 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.582 -3.202 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.496 -3.504 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.662 -0.732 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.632 -0.180 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.602 -1.428 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.127 -1.885 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.583 -0.073 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.079 -1.779 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.521 -1.243 -4.267 1.00 0.00 H new ATOM 605 N LYS A 69 -7.816 -5.333 -2.922 1.00 0.00 N ATOM 606 CA LYS A 69 -7.907 -6.728 -3.435 1.00 0.00 C ATOM 607 C LYS A 69 -8.914 -6.782 -4.585 1.00 0.00 C ATOM 608 O LYS A 69 -8.704 -7.451 -5.577 1.00 0.00 O ATOM 609 CB LYS A 69 -8.364 -7.658 -2.308 1.00 0.00 C ATOM 610 CG LYS A 69 -8.143 -9.113 -2.727 1.00 0.00 C ATOM 611 CD LYS A 69 -9.242 -9.990 -2.123 1.00 0.00 C ATOM 612 CE LYS A 69 -9.112 -9.996 -0.599 1.00 0.00 C ATOM 613 NZ LYS A 69 -9.965 -11.080 -0.035 1.00 0.00 N ATOM 0 H LYS A 69 -7.952 -5.230 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.929 -7.049 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.808 -7.442 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.418 -7.488 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.153 -9.195 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.164 -9.455 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.223 -9.613 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.164 -11.006 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.072 -10.150 -0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.415 -9.031 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.878 -11.086 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.957 -10.914 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.656 -11.998 -0.414 1.00 0.00 H new ATOM 627 N LYS A 70 -10.007 -6.079 -4.463 1.00 0.00 N ATOM 628 CA LYS A 70 -11.023 -6.090 -5.552 1.00 0.00 C ATOM 629 C LYS A 70 -10.327 -5.866 -6.896 1.00 0.00 C ATOM 630 O LYS A 70 -10.561 -6.577 -7.853 1.00 0.00 O ATOM 631 CB LYS A 70 -12.040 -4.973 -5.313 1.00 0.00 C ATOM 632 CG LYS A 70 -13.121 -5.028 -6.394 1.00 0.00 C ATOM 633 CD LYS A 70 -14.135 -3.908 -6.161 1.00 0.00 C ATOM 634 CE LYS A 70 -15.236 -3.985 -7.221 1.00 0.00 C ATOM 635 NZ LYS A 70 -16.498 -3.420 -6.668 1.00 0.00 N ATOM 0 H LYS A 70 -10.240 -5.498 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.536 -7.051 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.491 -5.082 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.542 -4.003 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.669 -4.924 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.622 -5.996 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.568 -3.997 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.639 -2.939 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.937 -3.432 -8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.391 -5.020 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.247 -3.472 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.785 -3.966 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.345 -2.427 -6.399 1.00 0.00 H new ATOM 649 N LYS A 71 -9.470 -4.885 -6.972 1.00 0.00 N ATOM 650 CA LYS A 71 -8.753 -4.616 -8.250 1.00 0.00 C ATOM 651 C LYS A 71 -7.289 -5.031 -8.105 1.00 0.00 C ATOM 652 O LYS A 71 -6.387 -4.235 -8.277 1.00 0.00 O ATOM 653 CB LYS A 71 -8.828 -3.122 -8.573 1.00 0.00 C ATOM 654 CG LYS A 71 -10.268 -2.635 -8.414 1.00 0.00 C ATOM 655 CD LYS A 71 -10.329 -1.132 -8.685 1.00 0.00 C ATOM 656 CE LYS A 71 -11.440 -0.840 -9.694 1.00 0.00 C ATOM 657 NZ LYS A 71 -11.482 0.622 -9.976 1.00 0.00 N ATOM 0 H LYS A 71 -9.235 -4.257 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.217 -5.185 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.169 -2.563 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.483 -2.942 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.922 -3.167 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.627 -2.849 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.515 -0.592 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.372 -0.782 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.264 -1.394 -10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.400 -1.173 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.237 0.822 -10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.670 1.140 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.568 0.926 -10.369 1.00 0.00 H new ATOM 671 N CYS A 72 -7.045 -6.272 -7.783 1.00 0.00 N ATOM 672 CA CYS A 72 -5.638 -6.736 -7.622 1.00 0.00 C ATOM 673 C CYS A 72 -5.419 -8.013 -8.435 1.00 0.00 C ATOM 674 O CYS A 72 -4.809 -7.995 -9.485 1.00 0.00 O ATOM 675 CB CYS A 72 -5.364 -7.024 -6.144 1.00 0.00 C ATOM 676 SG CYS A 72 -4.693 -5.540 -5.354 1.00 0.00 S ATOM 0 H CYS A 72 -7.758 -6.984 -7.625 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.960 -5.960 -7.978 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -6.284 -7.330 -5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.659 -7.850 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.632 -4.648 -5.238 1.00 0.00 H new ATOM 682 N GLY A 73 -5.906 -9.122 -7.951 1.00 0.00 N ATOM 683 CA GLY A 73 -5.721 -10.405 -8.687 1.00 0.00 C ATOM 684 C GLY A 73 -5.086 -11.433 -7.748 1.00 0.00 C ATOM 685 O GLY A 73 -4.106 -12.064 -8.088 1.00 0.00 O ATOM 0 H GLY A 73 -6.425 -9.196 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.681 -10.771 -9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.086 -10.250 -9.560 1.00 0.00 H new ATOM 689 N CYS A 74 -5.653 -11.577 -6.569 1.00 0.00 N ATOM 690 CA CYS A 74 -5.143 -12.537 -5.530 1.00 0.00 C ATOM 691 C CYS A 74 -4.589 -11.741 -4.348 1.00 0.00 C ATOM 692 O CYS A 74 -3.516 -11.175 -4.415 1.00 0.00 O ATOM 693 CB CYS A 74 -4.041 -13.444 -6.083 1.00 0.00 C ATOM 694 SG CYS A 74 -3.528 -14.613 -4.799 1.00 0.00 S ATOM 0 H CYS A 74 -6.476 -11.051 -6.275 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.974 -13.170 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.403 -13.983 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.190 -12.845 -6.407 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.593 -15.387 -5.265 1.00 0.00 H new ATOM 700 N GLY A 75 -5.314 -11.691 -3.265 1.00 0.00 N ATOM 701 CA GLY A 75 -4.832 -10.930 -2.078 1.00 0.00 C ATOM 702 C GLY A 75 -3.885 -11.807 -1.256 1.00 0.00 C ATOM 703 O GLY A 75 -4.086 -12.998 -1.121 1.00 0.00 O ATOM 0 H GLY A 75 -6.220 -12.145 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.318 -10.024 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.678 -10.617 -1.466 1.00 0.00 H new ATOM 707 N GLY A 76 -2.853 -11.228 -0.706 1.00 0.00 N ATOM 708 CA GLY A 76 -1.891 -12.028 0.107 1.00 0.00 C ATOM 709 C GLY A 76 -2.384 -12.111 1.554 1.00 0.00 C ATOM 710 O GLY A 76 -2.969 -13.094 1.965 1.00 0.00 O ATOM 0 H GLY A 76 -2.634 -10.235 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.791 -13.029 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.903 -11.569 0.075 1.00 0.00 H new ATOM 714 N ALA A 77 -2.150 -11.090 2.333 1.00 0.00 N ATOM 715 CA ALA A 77 -2.604 -11.118 3.753 1.00 0.00 C ATOM 716 C ALA A 77 -3.378 -9.836 4.070 1.00 0.00 C ATOM 717 O ALA A 77 -2.880 -8.741 3.901 1.00 0.00 O ATOM 718 CB ALA A 77 -1.389 -11.220 4.677 1.00 0.00 C ATOM 0 H ALA A 77 -1.665 -10.239 2.048 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.252 -11.981 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.722 -11.240 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.838 -12.134 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.740 -10.358 4.521 1.00 0.00 H new ATOM 724 N VAL A 78 -4.591 -9.965 4.535 1.00 0.00 N ATOM 725 CA VAL A 78 -5.396 -8.756 4.867 1.00 0.00 C ATOM 726 C VAL A 78 -5.891 -8.859 6.311 1.00 0.00 C ATOM 727 O VAL A 78 -6.904 -9.471 6.588 1.00 0.00 O ATOM 728 CB VAL A 78 -6.594 -8.667 3.919 1.00 0.00 C ATOM 729 CG1 VAL A 78 -7.479 -7.485 4.321 1.00 0.00 C ATOM 730 CG2 VAL A 78 -6.094 -8.464 2.488 1.00 0.00 C ATOM 0 H VAL A 78 -5.059 -10.856 4.699 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.780 -7.863 4.757 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.173 -9.589 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.332 -7.423 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.834 -7.627 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.902 -6.562 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.946 -8.400 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.516 -7.542 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.464 -9.305 2.200 1.00 0.00 H new ATOM 740 N LYS A 79 -5.183 -8.268 7.235 1.00 0.00 N ATOM 741 CA LYS A 79 -5.612 -8.338 8.660 1.00 0.00 C ATOM 742 C LYS A 79 -5.807 -6.924 9.210 1.00 0.00 C ATOM 743 O LYS A 79 -5.064 -6.015 8.894 1.00 0.00 O ATOM 744 CB LYS A 79 -4.540 -9.061 9.477 1.00 0.00 C ATOM 745 CG LYS A 79 -4.441 -10.514 9.010 1.00 0.00 C ATOM 746 CD LYS A 79 -3.133 -11.126 9.514 1.00 0.00 C ATOM 747 CE LYS A 79 -3.430 -12.440 10.239 1.00 0.00 C ATOM 748 NZ LYS A 79 -2.154 -13.042 10.718 1.00 0.00 N ATOM 0 H LYS A 79 -4.327 -7.740 7.064 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.553 -8.883 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.578 -8.563 9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.789 -9.024 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.290 -11.086 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.481 -10.560 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.457 -11.305 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.630 -10.432 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.098 -12.260 11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.941 -13.131 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.355 -13.935 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.531 -13.227 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.684 -12.384 11.372 1.00 0.00 H new ATOM 762 N ASP A 80 -6.803 -6.731 10.032 1.00 0.00 N ATOM 763 CA ASP A 80 -7.050 -5.378 10.605 1.00 0.00 C ATOM 764 C ASP A 80 -5.775 -4.869 11.280 1.00 0.00 C ATOM 765 O ASP A 80 -5.509 -5.164 12.428 1.00 0.00 O ATOM 766 CB ASP A 80 -8.175 -5.460 11.638 1.00 0.00 C ATOM 767 CG ASP A 80 -9.056 -4.213 11.535 1.00 0.00 C ATOM 768 OD1 ASP A 80 -8.517 -3.123 11.631 1.00 0.00 O ATOM 769 OD2 ASP A 80 -10.253 -4.370 11.363 1.00 0.00 O ATOM 0 H ASP A 80 -7.457 -7.454 10.332 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.337 -4.693 9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.773 -6.355 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.756 -5.540 12.641 1.00 0.00 H new ATOM 774 N GLY A 81 -4.984 -4.104 10.577 1.00 0.00 N ATOM 775 CA GLY A 81 -3.729 -3.578 11.183 1.00 0.00 C ATOM 776 C GLY A 81 -2.657 -3.435 10.101 1.00 0.00 C ATOM 777 O GLY A 81 -1.980 -2.430 10.014 1.00 0.00 O ATOM 0 H GLY A 81 -5.153 -3.822 9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.917 -2.613 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.382 -4.251 11.967 1.00 0.00 H new ATOM 781 N VAL A 82 -2.495 -4.433 9.277 1.00 0.00 N ATOM 782 CA VAL A 82 -1.464 -4.352 8.205 1.00 0.00 C ATOM 783 C VAL A 82 -1.990 -5.032 6.939 1.00 0.00 C ATOM 784 O VAL A 82 -2.916 -5.817 6.982 1.00 0.00 O ATOM 785 CB VAL A 82 -0.189 -5.056 8.671 1.00 0.00 C ATOM 786 CG1 VAL A 82 0.906 -4.884 7.617 1.00 0.00 C ATOM 787 CG2 VAL A 82 0.277 -4.441 9.993 1.00 0.00 C ATOM 0 H VAL A 82 -3.031 -5.300 9.300 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.244 -3.306 7.990 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.392 -6.117 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.814 -5.386 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.575 -5.320 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.110 -3.823 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.186 -4.942 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.479 -3.380 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.502 -4.563 10.746 1.00 0.00 H new ATOM 797 N ILE A 83 -1.406 -4.735 5.810 1.00 0.00 N ATOM 798 CA ILE A 83 -1.874 -5.364 4.543 1.00 0.00 C ATOM 799 C ILE A 83 -0.664 -5.756 3.692 1.00 0.00 C ATOM 800 O ILE A 83 0.373 -5.123 3.742 1.00 0.00 O ATOM 801 CB ILE A 83 -2.740 -4.368 3.770 1.00 0.00 C ATOM 802 CG1 ILE A 83 -3.902 -3.909 4.655 1.00 0.00 C ATOM 803 CG2 ILE A 83 -3.293 -5.040 2.512 1.00 0.00 C ATOM 804 CD1 ILE A 83 -3.528 -2.600 5.353 1.00 0.00 C ATOM 0 H ILE A 83 -0.626 -4.085 5.711 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.460 -6.254 4.773 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.136 -3.506 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.799 -3.768 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.133 -4.675 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.910 -4.330 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.467 -5.368 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.897 -5.902 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.356 -2.274 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.643 -2.756 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.319 -1.836 4.605 1.00 0.00 H new ATOM 816 N GLU A 84 -0.786 -6.795 2.912 1.00 0.00 N ATOM 817 CA GLU A 84 0.359 -7.225 2.060 1.00 0.00 C ATOM 818 C GLU A 84 -0.172 -7.821 0.755 1.00 0.00 C ATOM 819 O GLU A 84 -0.903 -8.791 0.756 1.00 0.00 O ATOM 820 CB GLU A 84 1.183 -8.278 2.805 1.00 0.00 C ATOM 821 CG GLU A 84 2.665 -8.099 2.469 1.00 0.00 C ATOM 822 CD GLU A 84 3.439 -9.351 2.886 1.00 0.00 C ATOM 823 OE1 GLU A 84 3.240 -9.802 4.002 1.00 0.00 O ATOM 824 OE2 GLU A 84 4.218 -9.837 2.083 1.00 0.00 O ATOM 0 H GLU A 84 -1.628 -7.364 2.828 1.00 0.00 H new ATOM 0 HA GLU A 84 0.989 -6.364 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.029 -8.182 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.854 -9.278 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.788 -7.922 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.062 -7.225 2.984 1.00 0.00 H new ATOM 831 N ILE A 85 0.190 -7.249 -0.361 1.00 0.00 N ATOM 832 CA ILE A 85 -0.295 -7.786 -1.663 1.00 0.00 C ATOM 833 C ILE A 85 0.902 -8.217 -2.514 1.00 0.00 C ATOM 834 O ILE A 85 1.740 -7.415 -2.875 1.00 0.00 O ATOM 835 CB ILE A 85 -1.081 -6.701 -2.401 1.00 0.00 C ATOM 836 CG1 ILE A 85 -2.181 -6.158 -1.486 1.00 0.00 C ATOM 837 CG2 ILE A 85 -1.715 -7.295 -3.660 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.185 -7.270 -1.178 1.00 0.00 C ATOM 0 H ILE A 85 0.800 -6.434 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.942 -8.645 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.406 -5.892 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.745 -5.781 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.687 -5.320 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.275 -6.521 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.933 -7.683 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.389 -8.104 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.968 -6.883 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.629 -7.627 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.674 -8.094 -0.681 1.00 0.00 H new ATOM 850 N GLN A 86 0.989 -9.478 -2.837 1.00 0.00 N ATOM 851 CA GLN A 86 2.132 -9.959 -3.663 1.00 0.00 C ATOM 852 C GLN A 86 1.957 -9.479 -5.105 1.00 0.00 C ATOM 853 O GLN A 86 1.038 -9.877 -5.795 1.00 0.00 O ATOM 854 CB GLN A 86 2.174 -11.488 -3.635 1.00 0.00 C ATOM 855 CG GLN A 86 3.473 -11.953 -2.973 1.00 0.00 C ATOM 856 CD GLN A 86 3.153 -12.626 -1.638 1.00 0.00 C ATOM 857 OE1 GLN A 86 2.040 -13.058 -1.413 1.00 0.00 O ATOM 858 NE2 GLN A 86 4.090 -12.735 -0.735 1.00 0.00 N ATOM 0 H GLN A 86 0.318 -10.196 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 86 3.064 -9.563 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.315 -11.876 -3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.109 -11.882 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.998 -12.650 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.137 -11.103 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.025 -12.372 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.887 -13.183 0.159 1.00 0.00 H new ATOM 867 N GLY A 87 2.830 -8.627 -5.568 1.00 0.00 N ATOM 868 CA GLY A 87 2.713 -8.124 -6.965 1.00 0.00 C ATOM 869 C GLY A 87 3.730 -7.005 -7.193 1.00 0.00 C ATOM 870 O GLY A 87 4.865 -7.088 -6.767 1.00 0.00 O ATOM 0 H GLY A 87 3.620 -8.257 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.886 -8.936 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.704 -7.755 -7.146 1.00 0.00 H new ATOM 874 N ASP A 88 3.333 -5.957 -7.861 1.00 0.00 N ATOM 875 CA ASP A 88 4.278 -4.833 -8.115 1.00 0.00 C ATOM 876 C ASP A 88 3.546 -3.708 -8.849 1.00 0.00 C ATOM 877 O ASP A 88 3.975 -3.249 -9.888 1.00 0.00 O ATOM 878 CB ASP A 88 5.441 -5.330 -8.976 1.00 0.00 C ATOM 879 CG ASP A 88 6.757 -5.137 -8.219 1.00 0.00 C ATOM 880 OD1 ASP A 88 6.765 -4.369 -7.272 1.00 0.00 O ATOM 881 OD2 ASP A 88 7.734 -5.761 -8.600 1.00 0.00 O ATOM 0 H ASP A 88 2.395 -5.830 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 88 4.662 -4.459 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.302 -6.383 -9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.468 -4.784 -9.919 1.00 0.00 H new ATOM 886 N LYS A 89 2.442 -3.260 -8.316 1.00 0.00 N ATOM 887 CA LYS A 89 1.683 -2.166 -8.985 1.00 0.00 C ATOM 888 C LYS A 89 1.875 -0.862 -8.208 1.00 0.00 C ATOM 889 O LYS A 89 0.957 -0.082 -8.047 1.00 0.00 O ATOM 890 CB LYS A 89 0.195 -2.524 -9.019 1.00 0.00 C ATOM 891 CG LYS A 89 -0.030 -3.673 -10.004 1.00 0.00 C ATOM 892 CD LYS A 89 -1.492 -3.678 -10.457 1.00 0.00 C ATOM 893 CE LYS A 89 -1.723 -4.839 -11.426 1.00 0.00 C ATOM 894 NZ LYS A 89 -2.194 -4.306 -12.735 1.00 0.00 N ATOM 0 H LYS A 89 2.033 -3.604 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 89 2.050 -2.040 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.144 -2.812 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.392 -1.655 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.628 -3.562 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.219 -4.624 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.151 -3.774 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.737 -2.733 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.800 -5.403 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.460 -5.529 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.351 -5.095 -13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.084 -3.786 -12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.476 -3.665 -13.127 1.00 0.00 H new ATOM 908 N ARG A 90 3.063 -0.617 -7.726 1.00 0.00 N ATOM 909 CA ARG A 90 3.313 0.638 -6.962 1.00 0.00 C ATOM 910 C ARG A 90 2.779 1.833 -7.754 1.00 0.00 C ATOM 911 O ARG A 90 2.282 2.789 -7.194 1.00 0.00 O ATOM 912 CB ARG A 90 4.817 0.806 -6.736 1.00 0.00 C ATOM 913 CG ARG A 90 5.079 2.118 -5.994 1.00 0.00 C ATOM 914 CD ARG A 90 6.063 2.971 -6.796 1.00 0.00 C ATOM 915 NE ARG A 90 7.455 2.658 -6.367 1.00 0.00 N ATOM 916 CZ ARG A 90 8.465 3.241 -6.954 1.00 0.00 C ATOM 917 NH1 ARG A 90 8.373 4.488 -7.325 1.00 0.00 N ATOM 918 NH2 ARG A 90 9.567 2.575 -7.169 1.00 0.00 N ATOM 0 H ARG A 90 3.871 -1.231 -7.828 1.00 0.00 H new ATOM 0 HA ARG A 90 2.805 0.585 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.205 -0.034 -6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.341 0.806 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.144 2.660 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.483 1.913 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.947 2.775 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.853 4.029 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 90 7.619 1.989 -5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.512 5.008 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.162 4.943 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.639 1.600 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.357 3.030 -7.628 1.00 0.00 H new ATOM 932 N ASP A 91 2.877 1.786 -9.055 1.00 0.00 N ATOM 933 CA ASP A 91 2.375 2.920 -9.881 1.00 0.00 C ATOM 934 C ASP A 91 0.884 3.127 -9.609 1.00 0.00 C ATOM 935 O ASP A 91 0.420 4.238 -9.450 1.00 0.00 O ATOM 936 CB ASP A 91 2.584 2.603 -11.363 1.00 0.00 C ATOM 937 CG ASP A 91 3.355 3.745 -12.026 1.00 0.00 C ATOM 938 OD1 ASP A 91 3.413 4.813 -11.439 1.00 0.00 O ATOM 939 OD2 ASP A 91 3.874 3.533 -13.110 1.00 0.00 O ATOM 0 H ASP A 91 3.283 1.012 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 91 2.921 3.827 -9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.134 1.668 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.621 2.466 -11.856 1.00 0.00 H new ATOM 944 N LEU A 92 0.129 2.064 -9.553 1.00 0.00 N ATOM 945 CA LEU A 92 -1.331 2.200 -9.290 1.00 0.00 C ATOM 946 C LEU A 92 -1.555 2.500 -7.807 1.00 0.00 C ATOM 947 O LEU A 92 -2.589 3.004 -7.414 1.00 0.00 O ATOM 948 CB LEU A 92 -2.040 0.895 -9.660 1.00 0.00 C ATOM 949 CG LEU A 92 -3.437 1.208 -10.199 1.00 0.00 C ATOM 950 CD1 LEU A 92 -3.569 0.666 -11.623 1.00 0.00 C ATOM 951 CD2 LEU A 92 -4.488 0.547 -9.304 1.00 0.00 C ATOM 0 H LEU A 92 0.460 1.107 -9.678 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.735 3.015 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.462 0.355 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.112 0.248 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.590 2.287 -10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.565 0.889 -12.006 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.821 1.135 -12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.416 -0.413 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.484 0.769 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.334 -0.532 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.395 0.932 -8.289 1.00 0.00 H new ATOM 963 N LEU A 93 -0.594 2.194 -6.979 1.00 0.00 N ATOM 964 CA LEU A 93 -0.752 2.462 -5.522 1.00 0.00 C ATOM 965 C LEU A 93 -0.735 3.972 -5.277 1.00 0.00 C ATOM 966 O LEU A 93 -1.526 4.497 -4.519 1.00 0.00 O ATOM 967 CB LEU A 93 0.400 1.808 -4.755 1.00 0.00 C ATOM 968 CG LEU A 93 0.102 0.322 -4.554 1.00 0.00 C ATOM 969 CD1 LEU A 93 1.398 -0.419 -4.222 1.00 0.00 C ATOM 970 CD2 LEU A 93 -0.890 0.155 -3.400 1.00 0.00 C ATOM 0 H LEU A 93 0.294 1.770 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.700 2.048 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.333 1.931 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.532 2.297 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.327 -0.090 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.185 -1.478 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.106 -0.299 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.828 -0.009 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.104 -0.904 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.459 0.567 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.814 0.683 -3.635 1.00 0.00 H new ATOM 982 N LYS A 94 0.161 4.675 -5.915 1.00 0.00 N ATOM 983 CA LYS A 94 0.227 6.151 -5.719 1.00 0.00 C ATOM 984 C LYS A 94 -1.025 6.800 -6.312 1.00 0.00 C ATOM 985 O LYS A 94 -1.421 7.880 -5.922 1.00 0.00 O ATOM 986 CB LYS A 94 1.469 6.704 -6.422 1.00 0.00 C ATOM 987 CG LYS A 94 1.587 8.204 -6.147 1.00 0.00 C ATOM 988 CD LYS A 94 2.803 8.765 -6.887 1.00 0.00 C ATOM 989 CE LYS A 94 2.942 10.258 -6.583 1.00 0.00 C ATOM 990 NZ LYS A 94 4.152 10.794 -7.268 1.00 0.00 N ATOM 0 H LYS A 94 0.849 4.291 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 94 0.283 6.374 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.361 6.187 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.402 6.525 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.682 8.716 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.686 8.381 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.705 8.235 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.692 8.610 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.054 10.793 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.020 10.415 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.247 11.809 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.996 10.291 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.059 10.657 -8.295 1.00 0.00 H new ATOM 1004 N SER A 95 -1.653 6.149 -7.253 1.00 0.00 N ATOM 1005 CA SER A 95 -2.879 6.728 -7.869 1.00 0.00 C ATOM 1006 C SER A 95 -4.052 6.591 -6.897 1.00 0.00 C ATOM 1007 O SER A 95 -4.637 7.568 -6.473 1.00 0.00 O ATOM 1008 CB SER A 95 -3.201 5.980 -9.164 1.00 0.00 C ATOM 1009 OG SER A 95 -3.792 6.881 -10.091 1.00 0.00 O ATOM 0 H SER A 95 -1.369 5.241 -7.621 1.00 0.00 H new ATOM 0 HA SER A 95 -2.711 7.782 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.292 5.551 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.880 5.152 -8.960 1.00 0.00 H new ATOM 0 HG SER A 95 -3.998 6.406 -10.923 1.00 0.00 H new ATOM 1015 N LEU A 96 -4.400 5.385 -6.539 1.00 0.00 N ATOM 1016 CA LEU A 96 -5.534 5.187 -5.593 1.00 0.00 C ATOM 1017 C LEU A 96 -5.292 6.010 -4.326 1.00 0.00 C ATOM 1018 O LEU A 96 -6.213 6.522 -3.722 1.00 0.00 O ATOM 1019 CB LEU A 96 -5.639 3.705 -5.226 1.00 0.00 C ATOM 1020 CG LEU A 96 -4.295 3.217 -4.682 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -4.265 3.391 -3.163 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -4.113 1.738 -5.029 1.00 0.00 C ATOM 0 H LEU A 96 -3.948 4.529 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.461 5.511 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.420 3.559 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.922 3.122 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.489 3.799 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.307 3.043 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.396 4.444 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.070 2.810 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.156 1.389 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.919 1.157 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.134 1.613 -6.112 1.00 0.00 H new ATOM 1034 N LEU A 97 -4.058 6.141 -3.920 1.00 0.00 N ATOM 1035 CA LEU A 97 -3.758 6.931 -2.693 1.00 0.00 C ATOM 1036 C LEU A 97 -4.071 8.407 -2.948 1.00 0.00 C ATOM 1037 O LEU A 97 -4.709 9.063 -2.148 1.00 0.00 O ATOM 1038 CB LEU A 97 -2.278 6.777 -2.338 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.132 6.587 -0.827 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -0.851 5.806 -0.531 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.061 7.956 -0.147 1.00 0.00 C ATOM 0 H LEU A 97 -3.246 5.735 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.370 6.568 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.854 5.922 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.722 7.658 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.991 6.034 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.748 5.671 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.899 4.831 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.008 6.359 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.957 7.822 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.202 8.508 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.973 8.514 -0.357 1.00 0.00 H new ATOM 1053 N GLU A 98 -3.627 8.934 -4.055 1.00 0.00 N ATOM 1054 CA GLU A 98 -3.899 10.367 -4.360 1.00 0.00 C ATOM 1055 C GLU A 98 -5.402 10.568 -4.567 1.00 0.00 C ATOM 1056 O GLU A 98 -5.900 11.676 -4.536 1.00 0.00 O ATOM 1057 CB GLU A 98 -3.150 10.770 -5.632 1.00 0.00 C ATOM 1058 CG GLU A 98 -2.955 12.287 -5.652 1.00 0.00 C ATOM 1059 CD GLU A 98 -1.953 12.659 -6.746 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -1.481 11.759 -7.420 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -1.675 13.838 -6.891 1.00 0.00 O ATOM 0 H GLU A 98 -3.087 8.435 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.561 10.986 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.183 10.268 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.710 10.453 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.908 12.784 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.595 12.631 -4.682 1.00 0.00 H new ATOM 1068 N ALA A 99 -6.128 9.505 -4.780 1.00 0.00 N ATOM 1069 CA ALA A 99 -7.597 9.636 -4.990 1.00 0.00 C ATOM 1070 C ALA A 99 -8.257 10.106 -3.692 1.00 0.00 C ATOM 1071 O ALA A 99 -9.200 10.872 -3.706 1.00 0.00 O ATOM 1072 CB ALA A 99 -8.177 8.279 -5.395 1.00 0.00 C ATOM 0 H ALA A 99 -5.767 8.552 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.788 10.363 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.252 8.374 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.706 7.943 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.986 7.552 -4.606 1.00 0.00 H new ATOM 1078 N LYS A 100 -7.770 9.652 -2.570 1.00 0.00 N ATOM 1079 CA LYS A 100 -8.371 10.073 -1.273 1.00 0.00 C ATOM 1080 C LYS A 100 -7.792 11.428 -0.858 1.00 0.00 C ATOM 1081 O LYS A 100 -8.482 12.271 -0.322 1.00 0.00 O ATOM 1082 CB LYS A 100 -8.049 9.031 -0.199 1.00 0.00 C ATOM 1083 CG LYS A 100 -9.221 8.057 -0.066 1.00 0.00 C ATOM 1084 CD LYS A 100 -9.249 7.123 -1.278 1.00 0.00 C ATOM 1085 CE LYS A 100 -10.371 6.097 -1.106 1.00 0.00 C ATOM 1086 NZ LYS A 100 -11.399 6.302 -2.165 1.00 0.00 N ATOM 0 H LYS A 100 -6.982 9.008 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.452 10.158 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.141 8.490 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.861 9.523 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.123 7.477 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.159 8.608 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.405 7.699 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.290 6.615 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.967 5.087 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.824 6.200 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.162 5.605 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.792 7.262 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.962 6.183 -3.101 1.00 0.00 H new ATOM 1100 N GLY A 101 -6.528 11.643 -1.103 1.00 0.00 N ATOM 1101 CA GLY A 101 -5.906 12.943 -0.722 1.00 0.00 C ATOM 1102 C GLY A 101 -5.011 12.743 0.502 1.00 0.00 C ATOM 1103 O GLY A 101 -4.711 13.674 1.222 1.00 0.00 O ATOM 0 H GLY A 101 -5.900 10.975 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.320 13.335 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.680 13.678 -0.503 1.00 0.00 H new ATOM 1107 N MET A 102 -4.582 11.534 0.744 1.00 0.00 N ATOM 1108 CA MET A 102 -3.707 11.276 1.922 1.00 0.00 C ATOM 1109 C MET A 102 -2.240 11.391 1.503 1.00 0.00 C ATOM 1110 O MET A 102 -1.906 11.278 0.340 1.00 0.00 O ATOM 1111 CB MET A 102 -3.976 9.868 2.458 1.00 0.00 C ATOM 1112 CG MET A 102 -5.467 9.551 2.336 1.00 0.00 C ATOM 1113 SD MET A 102 -6.072 8.880 3.904 1.00 0.00 S ATOM 1114 CE MET A 102 -5.461 7.191 3.678 1.00 0.00 C ATOM 0 H MET A 102 -4.800 10.715 0.177 1.00 0.00 H new ATOM 0 HA MET A 102 -3.920 12.008 2.701 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.391 9.137 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.663 9.798 3.500 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.021 10.453 2.076 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.632 8.833 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.303 6.499 3.662 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.918 7.124 2.736 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.794 6.932 4.501 1.00 0.00 H new ATOM 1124 N LYS A 103 -1.361 11.615 2.441 1.00 0.00 N ATOM 1125 CA LYS A 103 0.083 11.737 2.094 1.00 0.00 C ATOM 1126 C LYS A 103 0.701 10.342 1.986 1.00 0.00 C ATOM 1127 O LYS A 103 0.911 9.667 2.974 1.00 0.00 O ATOM 1128 CB LYS A 103 0.804 12.530 3.186 1.00 0.00 C ATOM 1129 CG LYS A 103 1.209 13.901 2.639 1.00 0.00 C ATOM 1130 CD LYS A 103 1.881 14.714 3.747 1.00 0.00 C ATOM 1131 CE LYS A 103 2.010 16.173 3.302 1.00 0.00 C ATOM 1132 NZ LYS A 103 2.981 16.265 2.176 1.00 0.00 N ATOM 0 H LYS A 103 -1.580 11.719 3.432 1.00 0.00 H new ATOM 0 HA LYS A 103 0.185 12.255 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.154 12.650 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.686 11.986 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.890 13.781 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.331 14.430 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.295 14.653 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.865 14.302 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.038 16.557 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.344 16.790 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.159 17.265 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.874 15.807 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.589 15.787 1.340 1.00 0.00 H new ATOM 1146 N VAL A 104 0.993 9.903 0.792 1.00 0.00 N ATOM 1147 CA VAL A 104 1.597 8.552 0.621 1.00 0.00 C ATOM 1148 C VAL A 104 3.113 8.644 0.806 1.00 0.00 C ATOM 1149 O VAL A 104 3.736 9.617 0.431 1.00 0.00 O ATOM 1150 CB VAL A 104 1.286 8.028 -0.781 1.00 0.00 C ATOM 1151 CG1 VAL A 104 1.847 8.995 -1.825 1.00 0.00 C ATOM 1152 CG2 VAL A 104 1.930 6.652 -0.965 1.00 0.00 C ATOM 0 H VAL A 104 0.839 10.422 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 104 1.181 7.872 1.364 1.00 0.00 H new ATOM 0 HB VAL A 104 0.206 7.945 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.625 8.621 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.390 9.976 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.927 9.078 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.709 6.277 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.010 6.736 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.531 5.961 -0.222 1.00 0.00 H new ATOM 1162 N LYS A 105 3.712 7.637 1.383 1.00 0.00 N ATOM 1163 CA LYS A 105 5.187 7.668 1.591 1.00 0.00 C ATOM 1164 C LYS A 105 5.845 6.583 0.737 1.00 0.00 C ATOM 1165 O LYS A 105 6.122 5.495 1.203 1.00 0.00 O ATOM 1166 CB LYS A 105 5.499 7.414 3.068 1.00 0.00 C ATOM 1167 CG LYS A 105 5.830 8.740 3.755 1.00 0.00 C ATOM 1168 CD LYS A 105 5.887 8.530 5.270 1.00 0.00 C ATOM 1169 CE LYS A 105 6.319 9.830 5.950 1.00 0.00 C ATOM 1170 NZ LYS A 105 5.437 10.095 7.121 1.00 0.00 N ATOM 0 H LYS A 105 3.244 6.795 1.719 1.00 0.00 H new ATOM 0 HA LYS A 105 5.575 8.644 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.645 6.943 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.339 6.725 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.785 9.120 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.076 9.487 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.910 8.220 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.588 7.731 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.358 9.756 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.263 10.658 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.730 10.979 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.451 10.183 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.512 9.309 7.797 1.00 0.00 H new ATOM 1184 N LEU A 106 6.098 6.869 -0.511 1.00 0.00 N ATOM 1185 CA LEU A 106 6.738 5.853 -1.394 1.00 0.00 C ATOM 1186 C LEU A 106 7.904 5.196 -0.652 1.00 0.00 C ATOM 1187 O LEU A 106 8.253 4.061 -0.907 1.00 0.00 O ATOM 1188 CB LEU A 106 7.258 6.534 -2.661 1.00 0.00 C ATOM 1189 CG LEU A 106 6.605 5.896 -3.888 1.00 0.00 C ATOM 1190 CD1 LEU A 106 5.088 5.859 -3.699 1.00 0.00 C ATOM 1191 CD2 LEU A 106 6.942 6.723 -5.131 1.00 0.00 C ATOM 0 H LEU A 106 5.889 7.762 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 106 6.005 5.093 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.035 7.601 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.342 6.436 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 106 6.980 4.880 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.623 5.404 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.846 5.272 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.712 6.875 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.477 6.270 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.566 7.738 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.023 6.751 -5.267 1.00 0.00 H new ATOM 1203 N ALA A 107 8.509 5.901 0.264 1.00 0.00 N ATOM 1204 CA ALA A 107 9.652 5.316 1.020 1.00 0.00 C ATOM 1205 C ALA A 107 10.760 4.918 0.043 1.00 0.00 C ATOM 1206 O ALA A 107 10.926 3.760 -0.285 1.00 0.00 O ATOM 1207 CB ALA A 107 9.178 4.078 1.784 1.00 0.00 C ATOM 0 H ALA A 107 8.261 6.856 0.522 1.00 0.00 H new ATOM 0 HA ALA A 107 10.036 6.053 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.014 3.650 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.389 4.360 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.793 3.341 1.079 1.00 0.00 H new