USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=8 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= -1.91 K(o=-1.9,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.4!) 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 150:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 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 180:sc= -0.0128 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0542 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00901 X(o=-0.009,f=-0.37) 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 -152:sc= -4.13! (180deg=-6.03!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -8.028 13.981 3.217 1.00 0.00 N ATOM 30 CA ASP A 31 -8.856 13.046 4.030 1.00 0.00 C ATOM 31 C ASP A 31 -8.532 11.603 3.635 1.00 0.00 C ATOM 32 O ASP A 31 -8.855 11.159 2.551 1.00 0.00 O ATOM 33 CB ASP A 31 -10.339 13.324 3.774 1.00 0.00 C ATOM 34 CG ASP A 31 -10.622 13.245 2.273 1.00 0.00 C ATOM 35 OD1 ASP A 31 -10.336 14.211 1.585 1.00 0.00 O ATOM 36 OD2 ASP A 31 -11.121 12.221 1.837 1.00 0.00 O ATOM 0 HA ASP A 31 -8.636 13.192 5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.953 12.600 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.606 14.310 4.154 1.00 0.00 H new ATOM 41 N GLY A 32 -7.896 10.868 4.506 1.00 0.00 N ATOM 42 CA GLY A 32 -7.553 9.455 4.179 1.00 0.00 C ATOM 43 C GLY A 32 -6.349 9.427 3.235 1.00 0.00 C ATOM 44 O GLY A 32 -6.404 9.926 2.129 1.00 0.00 O ATOM 0 H GLY A 32 -7.599 11.185 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.326 8.904 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.406 8.961 3.713 1.00 0.00 H new ATOM 48 N VAL A 33 -5.261 8.847 3.663 1.00 0.00 N ATOM 49 CA VAL A 33 -4.056 8.788 2.790 1.00 0.00 C ATOM 50 C VAL A 33 -3.337 7.454 3.002 1.00 0.00 C ATOM 51 O VAL A 33 -2.947 7.117 4.103 1.00 0.00 O ATOM 52 CB VAL A 33 -3.112 9.938 3.145 1.00 0.00 C ATOM 53 CG1 VAL A 33 -1.816 9.803 2.343 1.00 0.00 C ATOM 54 CG2 VAL A 33 -3.784 11.271 2.805 1.00 0.00 C ATOM 0 H VAL A 33 -5.155 8.412 4.579 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.359 8.876 1.747 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.884 9.905 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.144 10.623 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.337 8.854 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.042 9.836 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.113 12.092 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.011 11.303 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.707 11.369 3.376 1.00 0.00 H new ATOM 64 N VAL A 34 -3.157 6.693 1.958 1.00 0.00 N ATOM 65 CA VAL A 34 -2.463 5.383 2.101 1.00 0.00 C ATOM 66 C VAL A 34 -1.018 5.516 1.616 1.00 0.00 C ATOM 67 O VAL A 34 -0.751 6.096 0.582 1.00 0.00 O ATOM 68 CB VAL A 34 -3.187 4.328 1.262 1.00 0.00 C ATOM 69 CG1 VAL A 34 -2.533 2.963 1.483 1.00 0.00 C ATOM 70 CG2 VAL A 34 -4.656 4.263 1.684 1.00 0.00 C ATOM 0 H VAL A 34 -3.461 6.922 1.012 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.469 5.081 3.148 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.122 4.595 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.049 2.211 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.486 3.009 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.598 2.695 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.173 3.512 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.720 3.996 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.123 5.235 1.527 1.00 0.00 H new ATOM 80 N ARG A 35 -0.083 4.984 2.354 1.00 0.00 N ATOM 81 CA ARG A 35 1.343 5.080 1.934 1.00 0.00 C ATOM 82 C ARG A 35 1.793 3.743 1.344 1.00 0.00 C ATOM 83 O ARG A 35 1.708 2.712 1.981 1.00 0.00 O ATOM 84 CB ARG A 35 2.211 5.420 3.149 1.00 0.00 C ATOM 85 CG ARG A 35 3.292 6.422 2.740 1.00 0.00 C ATOM 86 CD ARG A 35 3.894 7.063 3.992 1.00 0.00 C ATOM 87 NE ARG A 35 4.793 8.183 3.593 1.00 0.00 N ATOM 88 CZ ARG A 35 5.622 8.694 4.462 1.00 0.00 C ATOM 89 NH1 ARG A 35 6.339 7.911 5.219 1.00 0.00 N ATOM 90 NH2 ARG A 35 5.733 9.990 4.572 1.00 0.00 N ATOM 0 H ARG A 35 -0.245 4.487 3.230 1.00 0.00 H new ATOM 0 HA ARG A 35 1.448 5.862 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.594 5.839 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.671 4.515 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.070 5.919 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.866 7.190 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.101 7.433 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.452 6.320 4.562 1.00 0.00 H new ATOM 0 HE ARG A 35 4.760 8.550 2.642 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.252 6.898 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.987 8.311 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.172 10.602 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.380 10.391 5.251 1.00 0.00 H new ATOM 104 N ILE A 36 2.272 3.750 0.130 1.00 0.00 N ATOM 105 CA ILE A 36 2.727 2.479 -0.500 1.00 0.00 C ATOM 106 C ILE A 36 4.139 2.662 -1.059 1.00 0.00 C ATOM 107 O ILE A 36 4.353 3.399 -2.001 1.00 0.00 O ATOM 108 CB ILE A 36 1.774 2.103 -1.636 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.351 1.974 -1.085 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.206 0.769 -2.246 1.00 0.00 C ATOM 111 CD1 ILE A 36 -0.611 2.779 -1.960 1.00 0.00 C ATOM 0 H ILE A 36 2.368 4.582 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 36 2.733 1.686 0.248 1.00 0.00 H new ATOM 0 HB ILE A 36 1.800 2.878 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.051 0.926 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.314 2.336 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.526 0.502 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.219 0.859 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.181 -0.006 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.624 2.687 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.315 3.828 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.581 2.397 -2.980 1.00 0.00 H new ATOM 123 N GLN A 37 5.105 1.998 -0.485 1.00 0.00 N ATOM 124 CA GLN A 37 6.502 2.135 -0.984 1.00 0.00 C ATOM 125 C GLN A 37 7.158 0.754 -1.051 1.00 0.00 C ATOM 126 O GLN A 37 7.430 0.136 -0.041 1.00 0.00 O ATOM 127 CB GLN A 37 7.298 3.032 -0.033 1.00 0.00 C ATOM 128 CG GLN A 37 6.992 2.640 1.414 1.00 0.00 C ATOM 129 CD GLN A 37 6.065 3.683 2.040 1.00 0.00 C ATOM 130 OE1 GLN A 37 4.926 3.820 1.640 1.00 0.00 O ATOM 131 NE2 GLN A 37 6.508 4.431 3.014 1.00 0.00 N ATOM 0 H GLN A 37 4.987 1.367 0.308 1.00 0.00 H new ATOM 0 HA GLN A 37 6.490 2.580 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.365 2.932 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.039 4.078 -0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.523 1.656 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.917 2.570 1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.464 4.317 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.898 5.130 3.438 1.00 0.00 H new ATOM 140 N ARG A 38 7.413 0.265 -2.234 1.00 0.00 N ATOM 141 CA ARG A 38 8.050 -1.076 -2.364 1.00 0.00 C ATOM 142 C ARG A 38 9.503 -0.998 -1.888 1.00 0.00 C ATOM 143 O ARG A 38 10.345 -0.402 -2.530 1.00 0.00 O ATOM 144 CB ARG A 38 8.016 -1.517 -3.828 1.00 0.00 C ATOM 145 CG ARG A 38 8.669 -0.444 -4.701 1.00 0.00 C ATOM 146 CD ARG A 38 9.801 -1.068 -5.518 1.00 0.00 C ATOM 147 NE ARG A 38 10.786 -0.014 -5.889 1.00 0.00 N ATOM 148 CZ ARG A 38 11.620 -0.215 -6.873 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.299 -1.328 -6.935 1.00 0.00 N ATOM 150 NH2 ARG A 38 11.772 0.695 -7.795 1.00 0.00 N ATOM 0 H ARG A 38 7.208 0.736 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 38 7.506 -1.798 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.541 -2.465 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.986 -1.682 -4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.928 -0.001 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.058 0.360 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.291 -1.852 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.399 -1.538 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 38 10.809 0.866 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.178 -2.040 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.951 -1.486 -7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.239 1.564 -7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.424 0.538 -8.564 1.00 0.00 H new ATOM 164 N GLN A 39 9.802 -1.595 -0.767 1.00 0.00 N ATOM 165 CA GLN A 39 11.200 -1.555 -0.252 1.00 0.00 C ATOM 166 C GLN A 39 11.936 -2.828 -0.673 1.00 0.00 C ATOM 167 O GLN A 39 11.389 -3.913 -0.637 1.00 0.00 O ATOM 168 CB GLN A 39 11.178 -1.459 1.275 1.00 0.00 C ATOM 169 CG GLN A 39 12.288 -0.517 1.744 1.00 0.00 C ATOM 170 CD GLN A 39 13.212 -1.257 2.713 1.00 0.00 C ATOM 171 OE1 GLN A 39 12.785 -2.158 3.408 1.00 0.00 O ATOM 172 NE2 GLN A 39 14.468 -0.913 2.789 1.00 0.00 N ATOM 0 H GLN A 39 9.139 -2.108 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 39 11.714 -0.686 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.209 -1.092 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.316 -2.447 1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.857 -0.154 0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.856 0.356 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.826 -0.157 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.092 -1.400 3.432 1.00 0.00 H new ATOM 181 N THR A 40 13.172 -2.706 -1.073 1.00 0.00 N ATOM 182 CA THR A 40 13.941 -3.910 -1.496 1.00 0.00 C ATOM 183 C THR A 40 15.046 -4.193 -0.476 1.00 0.00 C ATOM 184 O THR A 40 15.397 -3.349 0.323 1.00 0.00 O ATOM 185 CB THR A 40 14.566 -3.660 -2.870 1.00 0.00 C ATOM 186 OG1 THR A 40 13.593 -3.091 -3.734 1.00 0.00 O ATOM 187 CG2 THR A 40 15.061 -4.983 -3.456 1.00 0.00 C ATOM 0 H THR A 40 13.682 -1.824 -1.125 1.00 0.00 H new ATOM 0 HA THR A 40 13.271 -4.768 -1.553 1.00 0.00 H new ATOM 0 HB THR A 40 15.407 -2.974 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.992 -2.929 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 40 15.506 -4.804 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.808 -5.418 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.222 -5.672 -3.559 1.00 0.00 H new ATOM 266 N LYS A 46 13.857 -9.999 -5.124 1.00 0.00 N ATOM 267 CA LYS A 46 13.086 -9.851 -3.858 1.00 0.00 C ATOM 268 C LYS A 46 12.279 -8.552 -3.901 1.00 0.00 C ATOM 269 O LYS A 46 12.550 -7.667 -4.689 1.00 0.00 O ATOM 270 CB LYS A 46 14.054 -9.811 -2.673 1.00 0.00 C ATOM 271 CG LYS A 46 13.710 -10.936 -1.694 1.00 0.00 C ATOM 272 CD LYS A 46 14.696 -10.913 -0.525 1.00 0.00 C ATOM 273 CE LYS A 46 14.430 -12.109 0.391 1.00 0.00 C ATOM 274 NZ LYS A 46 15.483 -12.173 1.444 1.00 0.00 N ATOM 0 HA LYS A 46 12.408 -10.697 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.080 -9.921 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.991 -8.846 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.691 -10.814 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.753 -11.900 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.720 -10.948 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.592 -9.983 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.446 -12.017 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.425 -13.031 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.302 -12.986 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.416 -12.280 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.467 -11.297 2.005 1.00 0.00 H new ATOM 288 N GLY A 47 11.289 -8.429 -3.059 1.00 0.00 N ATOM 289 CA GLY A 47 10.467 -7.186 -3.052 1.00 0.00 C ATOM 290 C GLY A 47 9.229 -7.396 -2.179 1.00 0.00 C ATOM 291 O GLY A 47 8.613 -8.444 -2.200 1.00 0.00 O ATOM 0 H GLY A 47 11.014 -9.135 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.055 -6.351 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.169 -6.929 -4.068 1.00 0.00 H new ATOM 295 N VAL A 48 8.858 -6.409 -1.410 1.00 0.00 N ATOM 296 CA VAL A 48 7.660 -6.555 -0.536 1.00 0.00 C ATOM 297 C VAL A 48 6.955 -5.202 -0.406 1.00 0.00 C ATOM 298 O VAL A 48 7.573 -4.159 -0.489 1.00 0.00 O ATOM 299 CB VAL A 48 8.094 -7.038 0.848 1.00 0.00 C ATOM 300 CG1 VAL A 48 8.577 -8.486 0.755 1.00 0.00 C ATOM 301 CG2 VAL A 48 9.232 -6.154 1.362 1.00 0.00 C ATOM 0 H VAL A 48 9.333 -5.508 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 48 6.976 -7.281 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 48 7.249 -6.980 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.886 -8.830 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.767 -9.117 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.422 -8.544 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.542 -6.497 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.077 -6.212 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.889 -5.121 1.428 1.00 0.00 H new ATOM 311 N CYS A 49 5.666 -5.212 -0.202 1.00 0.00 N ATOM 312 CA CYS A 49 4.924 -3.927 -0.066 1.00 0.00 C ATOM 313 C CYS A 49 4.439 -3.769 1.377 1.00 0.00 C ATOM 314 O CYS A 49 3.778 -4.633 1.918 1.00 0.00 O ATOM 315 CB CYS A 49 3.721 -3.930 -1.012 1.00 0.00 C ATOM 316 SG CYS A 49 3.956 -2.669 -2.289 1.00 0.00 S ATOM 0 H CYS A 49 5.095 -6.054 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 49 5.584 -3.097 -0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.608 -4.912 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.806 -3.732 -0.454 1.00 0.00 H new ATOM 0 HG CYS A 49 3.362 -3.043 -3.383 1.00 0.00 H new ATOM 322 N LEU A 50 4.763 -2.671 2.005 1.00 0.00 N ATOM 323 CA LEU A 50 4.321 -2.460 3.412 1.00 0.00 C ATOM 324 C LEU A 50 3.314 -1.309 3.466 1.00 0.00 C ATOM 325 O LEU A 50 3.673 -0.152 3.366 1.00 0.00 O ATOM 326 CB LEU A 50 5.533 -2.117 4.281 1.00 0.00 C ATOM 327 CG LEU A 50 6.469 -3.324 4.354 1.00 0.00 C ATOM 328 CD1 LEU A 50 7.792 -2.987 3.665 1.00 0.00 C ATOM 329 CD2 LEU A 50 6.734 -3.674 5.820 1.00 0.00 C ATOM 0 H LEU A 50 5.314 -1.912 1.604 1.00 0.00 H new ATOM 0 HA LEU A 50 3.851 -3.370 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.061 -1.259 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.207 -1.835 5.282 1.00 0.00 H new ATOM 0 HG LEU A 50 6.005 -4.174 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.459 -3.848 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.605 -2.736 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.256 -2.137 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.401 -4.534 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.198 -2.823 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.792 -3.914 6.313 1.00 0.00 H new ATOM 341 N ILE A 51 2.056 -1.616 3.625 1.00 0.00 N ATOM 342 CA ILE A 51 1.027 -0.539 3.687 1.00 0.00 C ATOM 343 C ILE A 51 0.967 0.025 5.108 1.00 0.00 C ATOM 344 O ILE A 51 0.684 -0.682 6.055 1.00 0.00 O ATOM 345 CB ILE A 51 -0.339 -1.116 3.310 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.192 -2.008 2.074 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.309 0.027 3.003 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.045 -1.138 0.838 1.00 0.00 C ATOM 0 H ILE A 51 1.696 -2.566 3.715 1.00 0.00 H new ATOM 0 HA ILE A 51 1.290 0.256 2.990 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.726 -1.707 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.640 -2.700 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.090 -2.611 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.282 -0.384 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.413 0.662 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.923 0.618 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.149 -1.775 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.801 -0.464 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.955 -0.554 0.973 1.00 0.00 H new ATOM 360 N THR A 52 1.231 1.294 5.266 1.00 0.00 N ATOM 361 CA THR A 52 1.187 1.899 6.628 1.00 0.00 C ATOM 362 C THR A 52 1.032 3.417 6.508 1.00 0.00 C ATOM 363 O THR A 52 1.151 3.980 5.438 1.00 0.00 O ATOM 364 CB THR A 52 2.486 1.576 7.372 1.00 0.00 C ATOM 365 OG1 THR A 52 2.434 2.139 8.675 1.00 0.00 O ATOM 366 CG2 THR A 52 3.674 2.162 6.608 1.00 0.00 C ATOM 0 H THR A 52 1.475 1.937 4.512 1.00 0.00 H new ATOM 0 HA THR A 52 0.341 1.490 7.180 1.00 0.00 H new ATOM 0 HB THR A 52 2.604 0.495 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.264 1.932 9.154 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.598 1.931 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.712 1.730 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.560 3.243 6.532 1.00 0.00 H new ATOM 374 N GLY A 53 0.768 4.083 7.599 1.00 0.00 N ATOM 375 CA GLY A 53 0.605 5.563 7.548 1.00 0.00 C ATOM 376 C GLY A 53 -0.831 5.906 7.150 1.00 0.00 C ATOM 377 O GLY A 53 -1.104 6.970 6.629 1.00 0.00 O ATOM 0 H GLY A 53 0.658 3.666 8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.838 5.999 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.305 5.992 6.830 1.00 0.00 H new ATOM 381 N VAL A 54 -1.752 5.014 7.390 1.00 0.00 N ATOM 382 CA VAL A 54 -3.170 5.289 7.024 1.00 0.00 C ATOM 383 C VAL A 54 -3.890 5.928 8.214 1.00 0.00 C ATOM 384 O VAL A 54 -3.881 5.405 9.311 1.00 0.00 O ATOM 385 CB VAL A 54 -3.864 3.978 6.652 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.149 4.281 5.879 1.00 0.00 C ATOM 387 CG2 VAL A 54 -2.931 3.139 5.777 1.00 0.00 C ATOM 0 H VAL A 54 -1.584 4.106 7.824 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.200 5.970 6.173 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.108 3.426 7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.643 3.346 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.815 4.880 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.906 4.833 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.424 2.204 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.688 3.692 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.015 2.922 6.326 1.00 0.00 H new ATOM 397 N ASP A 55 -4.514 7.055 8.006 1.00 0.00 N ATOM 398 CA ASP A 55 -5.234 7.726 9.126 1.00 0.00 C ATOM 399 C ASP A 55 -6.738 7.714 8.844 1.00 0.00 C ATOM 400 O ASP A 55 -7.308 8.701 8.423 1.00 0.00 O ATOM 401 CB ASP A 55 -4.750 9.172 9.250 1.00 0.00 C ATOM 402 CG ASP A 55 -5.188 9.743 10.600 1.00 0.00 C ATOM 403 OD1 ASP A 55 -4.839 9.157 11.611 1.00 0.00 O ATOM 404 OD2 ASP A 55 -5.867 10.757 10.599 1.00 0.00 O ATOM 0 H ASP A 55 -4.557 7.540 7.110 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.034 7.195 10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.664 9.212 9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.159 9.774 8.439 1.00 0.00 H new ATOM 409 N LEU A 56 -7.386 6.605 9.075 1.00 0.00 N ATOM 410 CA LEU A 56 -8.852 6.532 8.821 1.00 0.00 C ATOM 411 C LEU A 56 -9.532 5.791 9.974 1.00 0.00 C ATOM 412 O LEU A 56 -8.925 5.513 10.989 1.00 0.00 O ATOM 413 CB LEU A 56 -9.107 5.782 7.512 1.00 0.00 C ATOM 414 CG LEU A 56 -8.642 6.638 6.333 1.00 0.00 C ATOM 415 CD1 LEU A 56 -8.659 5.798 5.054 1.00 0.00 C ATOM 416 CD2 LEU A 56 -9.583 7.833 6.169 1.00 0.00 C ATOM 0 H LEU A 56 -6.963 5.747 9.429 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.259 7.541 8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.575 4.831 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.168 5.553 7.413 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.629 6.995 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.328 6.408 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.990 4.945 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.672 5.441 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.252 8.444 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.596 7.476 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.572 8.432 7.080 1.00 0.00 H new ATOM 428 N ASP A 57 -10.788 5.468 9.826 1.00 0.00 N ATOM 429 CA ASP A 57 -11.503 4.745 10.914 1.00 0.00 C ATOM 430 C ASP A 57 -10.777 3.434 11.218 1.00 0.00 C ATOM 431 O ASP A 57 -10.140 2.853 10.362 1.00 0.00 O ATOM 432 CB ASP A 57 -12.937 4.444 10.471 1.00 0.00 C ATOM 433 CG ASP A 57 -13.867 4.489 11.685 1.00 0.00 C ATOM 434 OD1 ASP A 57 -13.450 5.011 12.707 1.00 0.00 O ATOM 435 OD2 ASP A 57 -14.979 4.002 11.572 1.00 0.00 O ATOM 0 H ASP A 57 -11.349 5.674 8.999 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.523 5.365 11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.259 5.172 9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.985 3.462 9.999 1.00 0.00 H new ATOM 440 N ASP A 58 -10.868 2.962 12.431 1.00 0.00 N ATOM 441 CA ASP A 58 -10.182 1.689 12.789 1.00 0.00 C ATOM 442 C ASP A 58 -10.697 0.561 11.892 1.00 0.00 C ATOM 443 O ASP A 58 -9.934 -0.128 11.245 1.00 0.00 O ATOM 444 CB ASP A 58 -10.469 1.348 14.253 1.00 0.00 C ATOM 445 CG ASP A 58 -9.149 1.174 15.005 1.00 0.00 C ATOM 446 OD1 ASP A 58 -8.145 1.675 14.524 1.00 0.00 O ATOM 447 OD2 ASP A 58 -9.164 0.544 16.050 1.00 0.00 O ATOM 0 H ASP A 58 -11.388 3.403 13.190 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.107 1.804 12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.060 2.140 14.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.059 0.433 14.315 1.00 0.00 H new ATOM 452 N ALA A 59 -11.987 0.364 11.850 1.00 0.00 N ATOM 453 CA ALA A 59 -12.547 -0.721 10.996 1.00 0.00 C ATOM 454 C ALA A 59 -12.396 -0.343 9.521 1.00 0.00 C ATOM 455 O ALA A 59 -12.411 -1.190 8.650 1.00 0.00 O ATOM 456 CB ALA A 59 -14.030 -0.913 11.324 1.00 0.00 C ATOM 0 H ALA A 59 -12.676 0.907 12.370 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.008 -1.648 11.189 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -14.441 -1.707 10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -14.138 -1.184 12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -14.568 0.015 11.132 1.00 0.00 H new ATOM 462 N GLU A 60 -12.254 0.921 9.232 1.00 0.00 N ATOM 463 CA GLU A 60 -12.105 1.349 7.812 1.00 0.00 C ATOM 464 C GLU A 60 -10.836 0.731 7.220 1.00 0.00 C ATOM 465 O GLU A 60 -10.823 0.272 6.094 1.00 0.00 O ATOM 466 CB GLU A 60 -12.008 2.875 7.747 1.00 0.00 C ATOM 467 CG GLU A 60 -11.841 3.315 6.290 1.00 0.00 C ATOM 468 CD GLU A 60 -12.450 4.705 6.103 1.00 0.00 C ATOM 469 OE1 GLU A 60 -13.330 5.054 6.873 1.00 0.00 O ATOM 470 OE2 GLU A 60 -12.027 5.398 5.192 1.00 0.00 O ATOM 0 H GLU A 60 -12.235 1.676 9.917 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.971 1.015 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.904 3.325 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.163 3.222 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.784 3.330 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.327 2.601 5.625 1.00 0.00 H new ATOM 477 N LEU A 61 -9.767 0.715 7.970 1.00 0.00 N ATOM 478 CA LEU A 61 -8.501 0.127 7.448 1.00 0.00 C ATOM 479 C LEU A 61 -8.719 -1.351 7.121 1.00 0.00 C ATOM 480 O LEU A 61 -8.501 -1.787 6.009 1.00 0.00 O ATOM 481 CB LEU A 61 -7.402 0.261 8.505 1.00 0.00 C ATOM 482 CG LEU A 61 -6.437 1.378 8.100 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.062 2.735 8.426 1.00 0.00 C ATOM 484 CD2 LEU A 61 -5.124 1.224 8.871 1.00 0.00 C ATOM 0 H LEU A 61 -9.716 1.083 8.920 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.201 0.657 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.843 0.482 9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.863 -0.681 8.606 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.239 1.316 7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.375 3.531 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.997 2.846 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.260 2.797 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.437 2.020 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.321 1.285 9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.677 0.257 8.639 1.00 0.00 H new ATOM 496 N THR A 62 -9.149 -2.127 8.078 1.00 0.00 N ATOM 497 CA THR A 62 -9.381 -3.577 7.816 1.00 0.00 C ATOM 498 C THR A 62 -10.189 -3.740 6.527 1.00 0.00 C ATOM 499 O THR A 62 -9.978 -4.659 5.761 1.00 0.00 O ATOM 500 CB THR A 62 -10.155 -4.189 8.986 1.00 0.00 C ATOM 501 OG1 THR A 62 -9.377 -4.087 10.171 1.00 0.00 O ATOM 502 CG2 THR A 62 -10.450 -5.661 8.693 1.00 0.00 C ATOM 0 H THR A 62 -9.350 -1.820 9.030 1.00 0.00 H new ATOM 0 HA THR A 62 -8.423 -4.085 7.709 1.00 0.00 H new ATOM 0 HB THR A 62 -11.095 -3.653 9.119 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.872 -4.477 10.922 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.001 -6.095 9.527 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.047 -5.739 7.784 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.512 -6.200 8.558 1.00 0.00 H new ATOM 510 N LYS A 63 -11.114 -2.853 6.282 1.00 0.00 N ATOM 511 CA LYS A 63 -11.937 -2.953 5.044 1.00 0.00 C ATOM 512 C LYS A 63 -11.029 -2.835 3.818 1.00 0.00 C ATOM 513 O LYS A 63 -10.889 -3.761 3.042 1.00 0.00 O ATOM 514 CB LYS A 63 -12.964 -1.818 5.026 1.00 0.00 C ATOM 515 CG LYS A 63 -14.348 -2.380 4.694 1.00 0.00 C ATOM 516 CD LYS A 63 -15.383 -1.253 4.746 1.00 0.00 C ATOM 517 CE LYS A 63 -16.714 -1.756 4.184 1.00 0.00 C ATOM 518 NZ LYS A 63 -17.757 -0.705 4.354 1.00 0.00 N ATOM 0 H LYS A 63 -11.336 -2.062 6.887 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.452 -3.913 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.986 -1.319 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.679 -1.068 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.339 -2.835 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.613 -3.165 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.515 -0.913 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.033 -0.397 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.604 -2.006 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.016 -2.669 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.661 -1.048 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.869 -0.487 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.470 0.155 3.844 1.00 0.00 H new ATOM 532 N LEU A 64 -10.412 -1.701 3.637 1.00 0.00 N ATOM 533 CA LEU A 64 -9.514 -1.516 2.461 1.00 0.00 C ATOM 534 C LEU A 64 -8.623 -2.750 2.291 1.00 0.00 C ATOM 535 O LEU A 64 -8.394 -3.216 1.192 1.00 0.00 O ATOM 536 CB LEU A 64 -8.637 -0.282 2.683 1.00 0.00 C ATOM 537 CG LEU A 64 -8.612 0.564 1.410 1.00 0.00 C ATOM 538 CD1 LEU A 64 -8.109 1.970 1.744 1.00 0.00 C ATOM 539 CD2 LEU A 64 -7.676 -0.082 0.386 1.00 0.00 C ATOM 0 H LEU A 64 -10.490 -0.892 4.253 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.117 -1.381 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.023 0.306 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.625 -0.586 2.950 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.618 0.626 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.090 2.575 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.775 2.431 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.103 1.908 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.658 0.521 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.670 -0.144 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.033 -1.084 0.149 1.00 0.00 H new ATOM 551 N ALA A 65 -8.117 -3.281 3.370 1.00 0.00 N ATOM 552 CA ALA A 65 -7.238 -4.481 3.272 1.00 0.00 C ATOM 553 C ALA A 65 -7.983 -5.609 2.555 1.00 0.00 C ATOM 554 O ALA A 65 -7.548 -6.099 1.533 1.00 0.00 O ATOM 555 CB ALA A 65 -6.849 -4.943 4.678 1.00 0.00 C ATOM 0 H ALA A 65 -8.274 -2.935 4.317 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.340 -4.225 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.206 -5.820 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.315 -4.142 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.748 -5.196 5.240 1.00 0.00 H new ATOM 561 N ALA A 66 -9.098 -6.027 3.085 1.00 0.00 N ATOM 562 CA ALA A 66 -9.866 -7.127 2.435 1.00 0.00 C ATOM 563 C ALA A 66 -10.233 -6.728 1.004 1.00 0.00 C ATOM 564 O ALA A 66 -10.587 -7.559 0.191 1.00 0.00 O ATOM 565 CB ALA A 66 -11.144 -7.392 3.233 1.00 0.00 C ATOM 0 H ALA A 66 -9.511 -5.655 3.940 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.254 -8.029 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.708 -8.196 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.884 -7.681 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.752 -6.488 3.257 1.00 0.00 H new ATOM 571 N GLU A 67 -10.159 -5.464 0.689 1.00 0.00 N ATOM 572 CA GLU A 67 -10.514 -5.021 -0.689 1.00 0.00 C ATOM 573 C GLU A 67 -9.376 -5.357 -1.658 1.00 0.00 C ATOM 574 O GLU A 67 -9.603 -5.835 -2.752 1.00 0.00 O ATOM 575 CB GLU A 67 -10.750 -3.509 -0.693 1.00 0.00 C ATOM 576 CG GLU A 67 -12.170 -3.212 -1.181 1.00 0.00 C ATOM 577 CD GLU A 67 -12.375 -1.698 -1.260 1.00 0.00 C ATOM 578 OE1 GLU A 67 -11.401 -0.980 -1.106 1.00 0.00 O ATOM 579 OE2 GLU A 67 -13.502 -1.283 -1.472 1.00 0.00 O ATOM 0 H GLU A 67 -9.869 -4.721 1.324 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.420 -5.538 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.608 -3.106 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.022 -3.019 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.332 -3.663 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.899 -3.654 -0.502 1.00 0.00 H new ATOM 586 N LEU A 68 -8.156 -5.102 -1.275 1.00 0.00 N ATOM 587 CA LEU A 68 -7.012 -5.398 -2.186 1.00 0.00 C ATOM 588 C LEU A 68 -6.673 -6.889 -2.141 1.00 0.00 C ATOM 589 O LEU A 68 -6.146 -7.442 -3.087 1.00 0.00 O ATOM 590 CB LEU A 68 -5.793 -4.584 -1.750 1.00 0.00 C ATOM 591 CG LEU A 68 -5.884 -3.175 -2.337 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.744 -3.247 -3.859 1.00 0.00 C ATOM 593 CD2 LEU A 68 -7.241 -2.563 -1.979 1.00 0.00 C ATOM 0 H LEU A 68 -7.900 -4.702 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.290 -5.129 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.746 -4.534 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.878 -5.071 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.085 -2.557 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.809 -2.243 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.780 -3.686 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.544 -3.864 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.309 -1.558 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.039 -3.181 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.343 -2.513 -0.895 1.00 0.00 H new ATOM 605 N LYS A 69 -6.967 -7.548 -1.055 1.00 0.00 N ATOM 606 CA LYS A 69 -6.654 -9.001 -0.964 1.00 0.00 C ATOM 607 C LYS A 69 -7.598 -9.787 -1.875 1.00 0.00 C ATOM 608 O LYS A 69 -7.458 -10.982 -2.046 1.00 0.00 O ATOM 609 CB LYS A 69 -6.825 -9.473 0.482 1.00 0.00 C ATOM 610 CG LYS A 69 -5.708 -10.460 0.828 1.00 0.00 C ATOM 611 CD LYS A 69 -6.163 -11.371 1.969 1.00 0.00 C ATOM 612 CE LYS A 69 -5.665 -10.808 3.302 1.00 0.00 C ATOM 613 NZ LYS A 69 -5.119 -11.916 4.137 1.00 0.00 N ATOM 0 H LYS A 69 -7.409 -7.145 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.624 -9.169 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.796 -8.621 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.798 -9.948 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.452 -11.057 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.808 -9.919 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.250 -11.446 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.775 -12.379 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.895 -10.057 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.481 -10.311 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.780 -11.534 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.866 -12.617 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.329 -12.371 3.637 1.00 0.00 H new ATOM 627 N LYS A 70 -8.556 -9.127 -2.464 1.00 0.00 N ATOM 628 CA LYS A 70 -9.502 -9.839 -3.366 1.00 0.00 C ATOM 629 C LYS A 70 -8.720 -10.467 -4.520 1.00 0.00 C ATOM 630 O LYS A 70 -8.971 -11.587 -4.918 1.00 0.00 O ATOM 631 CB LYS A 70 -10.517 -8.844 -3.928 1.00 0.00 C ATOM 632 CG LYS A 70 -11.571 -8.526 -2.866 1.00 0.00 C ATOM 633 CD LYS A 70 -12.513 -7.444 -3.396 1.00 0.00 C ATOM 634 CE LYS A 70 -13.622 -7.187 -2.376 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.596 -6.213 -2.943 1.00 0.00 N ATOM 0 H LYS A 70 -8.724 -8.126 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.024 -10.616 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.011 -7.929 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.995 -9.259 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.135 -9.425 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.089 -8.187 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.958 -6.525 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.945 -7.757 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.127 -8.121 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.198 -6.798 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.352 -6.036 -2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.108 -5.320 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.008 -6.602 -3.815 1.00 0.00 H new ATOM 649 N LYS A 71 -7.776 -9.750 -5.064 1.00 0.00 N ATOM 650 CA LYS A 71 -6.983 -10.302 -6.196 1.00 0.00 C ATOM 651 C LYS A 71 -5.586 -9.680 -6.198 1.00 0.00 C ATOM 652 O LYS A 71 -5.063 -9.308 -7.230 1.00 0.00 O ATOM 653 CB LYS A 71 -7.689 -9.985 -7.518 1.00 0.00 C ATOM 654 CG LYS A 71 -8.394 -8.630 -7.413 1.00 0.00 C ATOM 655 CD LYS A 71 -7.999 -7.753 -8.603 1.00 0.00 C ATOM 656 CE LYS A 71 -7.991 -6.283 -8.177 1.00 0.00 C ATOM 657 NZ LYS A 71 -8.724 -5.470 -9.189 1.00 0.00 N ATOM 0 H LYS A 71 -7.520 -8.806 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.895 -11.382 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.965 -9.967 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.413 -10.766 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.475 -8.771 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.121 -8.138 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.014 -8.041 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.700 -7.900 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.459 -6.174 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.965 -5.926 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.719 -4.471 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.259 -5.566 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.706 -5.806 -9.259 1.00 0.00 H new ATOM 671 N CYS A 72 -4.976 -9.570 -5.050 1.00 0.00 N ATOM 672 CA CYS A 72 -3.609 -8.981 -4.985 1.00 0.00 C ATOM 673 C CYS A 72 -2.595 -10.029 -5.442 1.00 0.00 C ATOM 674 O CYS A 72 -1.541 -9.710 -5.954 1.00 0.00 O ATOM 675 CB CYS A 72 -3.299 -8.575 -3.543 1.00 0.00 C ATOM 676 SG CYS A 72 -2.954 -6.799 -3.475 1.00 0.00 S ATOM 0 H CYS A 72 -5.365 -9.863 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.554 -8.104 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.143 -8.817 -2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.442 -9.137 -3.172 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.693 -6.454 -2.249 1.00 0.00 H new ATOM 682 N GLY A 73 -2.910 -11.280 -5.251 1.00 0.00 N ATOM 683 CA GLY A 73 -1.971 -12.361 -5.661 1.00 0.00 C ATOM 684 C GLY A 73 -1.684 -13.250 -4.452 1.00 0.00 C ATOM 685 O GLY A 73 -1.395 -14.424 -4.580 1.00 0.00 O ATOM 0 H GLY A 73 -3.780 -11.601 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.404 -12.951 -6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.044 -11.931 -6.042 1.00 0.00 H new ATOM 689 N CYS A 74 -1.768 -12.692 -3.276 1.00 0.00 N ATOM 690 CA CYS A 74 -1.506 -13.482 -2.040 1.00 0.00 C ATOM 691 C CYS A 74 -1.316 -12.513 -0.869 1.00 0.00 C ATOM 692 O CYS A 74 -0.248 -11.971 -0.665 1.00 0.00 O ATOM 693 CB CYS A 74 -0.244 -14.333 -2.233 1.00 0.00 C ATOM 694 SG CYS A 74 0.358 -14.928 -0.631 1.00 0.00 S ATOM 0 H CYS A 74 -2.009 -11.714 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.346 -14.145 -1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.463 -15.179 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.530 -13.743 -2.725 1.00 0.00 H new ATOM 0 HG CYS A 74 1.425 -15.649 -0.809 1.00 0.00 H new ATOM 700 N GLY A 75 -2.348 -12.288 -0.104 1.00 0.00 N ATOM 701 CA GLY A 75 -2.232 -11.350 1.049 1.00 0.00 C ATOM 702 C GLY A 75 -1.488 -12.040 2.194 1.00 0.00 C ATOM 703 O GLY A 75 -1.951 -13.017 2.748 1.00 0.00 O ATOM 0 H GLY A 75 -3.267 -12.713 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.700 -10.448 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.223 -11.039 1.380 1.00 0.00 H new ATOM 707 N GLY A 76 -0.339 -11.538 2.554 1.00 0.00 N ATOM 708 CA GLY A 76 0.433 -12.166 3.663 1.00 0.00 C ATOM 709 C GLY A 76 -0.365 -12.062 4.963 1.00 0.00 C ATOM 710 O GLY A 76 -1.123 -12.946 5.309 1.00 0.00 O ATOM 0 H GLY A 76 0.098 -10.721 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.637 -13.211 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.397 -11.670 3.775 1.00 0.00 H new ATOM 714 N ALA A 77 -0.199 -10.987 5.687 1.00 0.00 N ATOM 715 CA ALA A 77 -0.947 -10.823 6.965 1.00 0.00 C ATOM 716 C ALA A 77 -1.557 -9.422 7.025 1.00 0.00 C ATOM 717 O ALA A 77 -1.139 -8.521 6.325 1.00 0.00 O ATOM 718 CB ALA A 77 0.013 -11.008 8.143 1.00 0.00 C ATOM 0 H ALA A 77 0.423 -10.215 5.447 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.741 -11.568 7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.532 -10.888 9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.450 -12.006 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.806 -10.262 8.087 1.00 0.00 H new ATOM 724 N VAL A 78 -2.543 -9.231 7.858 1.00 0.00 N ATOM 725 CA VAL A 78 -3.179 -7.888 7.963 1.00 0.00 C ATOM 726 C VAL A 78 -3.301 -7.497 9.437 1.00 0.00 C ATOM 727 O VAL A 78 -3.606 -8.314 10.283 1.00 0.00 O ATOM 728 CB VAL A 78 -4.571 -7.930 7.333 1.00 0.00 C ATOM 729 CG1 VAL A 78 -5.173 -6.523 7.327 1.00 0.00 C ATOM 730 CG2 VAL A 78 -4.462 -8.444 5.896 1.00 0.00 C ATOM 0 H VAL A 78 -2.935 -9.947 8.470 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.565 -7.155 7.439 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.212 -8.595 7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.166 -6.554 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.249 -6.156 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.533 -5.856 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.454 -8.475 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.821 -7.778 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.034 -9.446 5.900 1.00 0.00 H new ATOM 740 N LYS A 79 -3.069 -6.252 9.750 1.00 0.00 N ATOM 741 CA LYS A 79 -3.174 -5.805 11.168 1.00 0.00 C ATOM 742 C LYS A 79 -3.644 -4.346 11.209 1.00 0.00 C ATOM 743 O LYS A 79 -3.251 -3.535 10.393 1.00 0.00 O ATOM 744 CB LYS A 79 -1.802 -5.916 11.839 1.00 0.00 C ATOM 745 CG LYS A 79 -1.687 -7.262 12.558 1.00 0.00 C ATOM 746 CD LYS A 79 -0.476 -7.237 13.492 1.00 0.00 C ATOM 747 CE LYS A 79 -0.498 -8.479 14.386 1.00 0.00 C ATOM 748 NZ LYS A 79 0.796 -8.593 15.115 1.00 0.00 N ATOM 0 H LYS A 79 -2.811 -5.524 9.084 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.891 -6.434 11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.013 -5.823 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.667 -5.101 12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.595 -7.462 13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.583 -8.067 11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.445 -7.210 12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.493 -6.335 14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.322 -8.414 15.096 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.667 -9.371 13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.779 -9.437 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.574 -8.674 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.939 -7.747 15.703 1.00 0.00 H new ATOM 762 N ASP A 80 -4.482 -4.005 12.151 1.00 0.00 N ATOM 763 CA ASP A 80 -4.973 -2.601 12.239 1.00 0.00 C ATOM 764 C ASP A 80 -3.787 -1.657 12.459 1.00 0.00 C ATOM 765 O ASP A 80 -3.390 -1.391 13.576 1.00 0.00 O ATOM 766 CB ASP A 80 -5.951 -2.477 13.410 1.00 0.00 C ATOM 767 CG ASP A 80 -6.961 -3.626 13.358 1.00 0.00 C ATOM 768 OD1 ASP A 80 -7.479 -3.885 12.284 1.00 0.00 O ATOM 769 OD2 ASP A 80 -7.199 -4.226 14.393 1.00 0.00 O ATOM 0 H ASP A 80 -4.847 -4.638 12.863 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.480 -2.334 11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.408 -2.499 14.355 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.471 -1.520 13.363 1.00 0.00 H new ATOM 774 N GLY A 81 -3.218 -1.148 11.400 1.00 0.00 N ATOM 775 CA GLY A 81 -2.059 -0.223 11.549 1.00 0.00 C ATOM 776 C GLY A 81 -0.965 -0.605 10.550 1.00 0.00 C ATOM 777 O GLY A 81 -0.297 0.242 9.991 1.00 0.00 O ATOM 0 H GLY A 81 -3.506 -1.333 10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.378 0.805 11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.670 -0.272 12.566 1.00 0.00 H new ATOM 781 N VAL A 82 -0.777 -1.876 10.321 1.00 0.00 N ATOM 782 CA VAL A 82 0.273 -2.313 9.358 1.00 0.00 C ATOM 783 C VAL A 82 -0.257 -3.483 8.527 1.00 0.00 C ATOM 784 O VAL A 82 -0.855 -4.404 9.046 1.00 0.00 O ATOM 785 CB VAL A 82 1.518 -2.758 10.128 1.00 0.00 C ATOM 786 CG1 VAL A 82 2.568 -3.275 9.144 1.00 0.00 C ATOM 787 CG2 VAL A 82 2.092 -1.570 10.903 1.00 0.00 C ATOM 0 H VAL A 82 -1.305 -2.631 10.759 1.00 0.00 H new ATOM 0 HA VAL A 82 0.531 -1.484 8.699 1.00 0.00 H new ATOM 0 HB VAL A 82 1.248 -3.551 10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.455 -3.592 9.692 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.162 -4.121 8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.836 -2.481 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.979 -1.888 11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.361 -0.777 10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.345 -1.198 11.605 1.00 0.00 H new ATOM 797 N ILE A 83 -0.043 -3.455 7.240 1.00 0.00 N ATOM 798 CA ILE A 83 -0.539 -4.567 6.380 1.00 0.00 C ATOM 799 C ILE A 83 0.589 -5.052 5.466 1.00 0.00 C ATOM 800 O ILE A 83 1.289 -4.268 4.857 1.00 0.00 O ATOM 801 CB ILE A 83 -1.708 -4.066 5.529 1.00 0.00 C ATOM 802 CG1 ILE A 83 -2.728 -3.367 6.431 1.00 0.00 C ATOM 803 CG2 ILE A 83 -2.377 -5.251 4.829 1.00 0.00 C ATOM 804 CD1 ILE A 83 -3.804 -2.704 5.569 1.00 0.00 C ATOM 0 H ILE A 83 0.453 -2.712 6.747 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.873 -5.392 7.009 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.339 -3.365 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.184 -4.088 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.231 -2.619 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.209 -4.893 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.651 -5.752 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.747 -5.953 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.530 -2.206 6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.341 -1.970 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.309 -3.462 4.971 1.00 0.00 H new ATOM 816 N GLU A 84 0.770 -6.341 5.366 1.00 0.00 N ATOM 817 CA GLU A 84 1.852 -6.875 4.492 1.00 0.00 C ATOM 818 C GLU A 84 1.239 -7.432 3.206 1.00 0.00 C ATOM 819 O GLU A 84 0.422 -8.329 3.235 1.00 0.00 O ATOM 820 CB GLU A 84 2.596 -7.993 5.225 1.00 0.00 C ATOM 821 CG GLU A 84 3.074 -7.481 6.585 1.00 0.00 C ATOM 822 CD GLU A 84 3.632 -8.648 7.400 1.00 0.00 C ATOM 823 OE1 GLU A 84 3.994 -9.646 6.797 1.00 0.00 O ATOM 824 OE2 GLU A 84 3.687 -8.526 8.612 1.00 0.00 O ATOM 0 H GLU A 84 0.216 -7.046 5.851 1.00 0.00 H new ATOM 0 HA GLU A 84 2.549 -6.074 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.941 -8.854 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.446 -8.329 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.841 -6.718 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.248 -7.012 7.120 1.00 0.00 H new ATOM 831 N ILE A 85 1.627 -6.907 2.076 1.00 0.00 N ATOM 832 CA ILE A 85 1.064 -7.411 0.792 1.00 0.00 C ATOM 833 C ILE A 85 2.202 -7.893 -0.109 1.00 0.00 C ATOM 834 O ILE A 85 2.768 -7.136 -0.871 1.00 0.00 O ATOM 835 CB ILE A 85 0.302 -6.285 0.091 1.00 0.00 C ATOM 836 CG1 ILE A 85 -0.993 -5.996 0.854 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.037 -6.710 -1.339 1.00 0.00 C ATOM 838 CD1 ILE A 85 -1.946 -7.184 0.713 1.00 0.00 C ATOM 0 H ILE A 85 2.308 -6.153 1.987 1.00 0.00 H new ATOM 0 HA ILE A 85 0.384 -8.239 0.994 1.00 0.00 H new ATOM 0 HB ILE A 85 0.921 -5.388 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.774 -5.815 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.462 -5.092 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.580 -5.907 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.883 -6.919 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.656 -7.607 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.868 -6.977 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.174 -7.344 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.476 -8.078 1.122 1.00 0.00 H new ATOM 850 N GLN A 86 2.542 -9.150 -0.028 1.00 0.00 N ATOM 851 CA GLN A 86 3.643 -9.677 -0.880 1.00 0.00 C ATOM 852 C GLN A 86 3.340 -9.377 -2.350 1.00 0.00 C ATOM 853 O GLN A 86 2.263 -9.652 -2.840 1.00 0.00 O ATOM 854 CB GLN A 86 3.760 -11.190 -0.683 1.00 0.00 C ATOM 855 CG GLN A 86 5.152 -11.529 -0.148 1.00 0.00 C ATOM 856 CD GLN A 86 5.672 -12.792 -0.838 1.00 0.00 C ATOM 857 OE1 GLN A 86 4.920 -13.712 -1.092 1.00 0.00 O ATOM 858 NE2 GLN A 86 6.935 -12.875 -1.154 1.00 0.00 N ATOM 0 H GLN A 86 2.105 -9.833 0.591 1.00 0.00 H new ATOM 0 HA GLN A 86 4.581 -9.199 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.997 -11.537 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.587 -11.705 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.834 -10.698 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.111 -11.682 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.566 -12.102 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.292 -13.712 -1.614 1.00 0.00 H new ATOM 867 N GLY A 87 4.282 -8.815 -3.057 1.00 0.00 N ATOM 868 CA GLY A 87 4.048 -8.499 -4.495 1.00 0.00 C ATOM 869 C GLY A 87 5.077 -7.470 -4.965 1.00 0.00 C ATOM 870 O GLY A 87 6.152 -7.356 -4.412 1.00 0.00 O ATOM 0 H GLY A 87 5.204 -8.561 -2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.125 -9.406 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.039 -8.110 -4.633 1.00 0.00 H new ATOM 874 N ASP A 88 4.757 -6.718 -5.983 1.00 0.00 N ATOM 875 CA ASP A 88 5.718 -5.697 -6.487 1.00 0.00 C ATOM 876 C ASP A 88 5.080 -4.922 -7.641 1.00 0.00 C ATOM 877 O ASP A 88 5.464 -5.064 -8.785 1.00 0.00 O ATOM 878 CB ASP A 88 6.989 -6.392 -6.980 1.00 0.00 C ATOM 879 CG ASP A 88 8.126 -5.374 -7.078 1.00 0.00 C ATOM 880 OD1 ASP A 88 7.962 -4.281 -6.560 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.141 -5.703 -7.668 1.00 0.00 O ATOM 0 H ASP A 88 3.872 -6.767 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 88 5.970 -5.007 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.265 -7.195 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.811 -6.849 -7.954 1.00 0.00 H new ATOM 886 N LYS A 89 4.106 -4.104 -7.350 1.00 0.00 N ATOM 887 CA LYS A 89 3.443 -3.322 -8.432 1.00 0.00 C ATOM 888 C LYS A 89 3.080 -1.931 -7.909 1.00 0.00 C ATOM 889 O LYS A 89 1.967 -1.471 -8.062 1.00 0.00 O ATOM 890 CB LYS A 89 2.171 -4.048 -8.877 1.00 0.00 C ATOM 891 CG LYS A 89 2.468 -4.875 -10.130 1.00 0.00 C ATOM 892 CD LYS A 89 1.168 -5.479 -10.664 1.00 0.00 C ATOM 893 CE LYS A 89 1.468 -6.320 -11.905 1.00 0.00 C ATOM 894 NZ LYS A 89 0.242 -7.066 -12.307 1.00 0.00 N ATOM 0 H LYS A 89 3.741 -3.943 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 89 4.122 -3.224 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.810 -4.696 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.381 -3.326 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.929 -4.247 -10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.180 -5.667 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.700 -6.097 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.461 -4.687 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.800 -5.678 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.280 -7.017 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.445 -7.638 -13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.056 -7.689 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.520 -6.392 -12.521 1.00 0.00 H new ATOM 908 N ARG A 90 4.013 -1.257 -7.293 1.00 0.00 N ATOM 909 CA ARG A 90 3.720 0.104 -6.761 1.00 0.00 C ATOM 910 C ARG A 90 3.029 0.936 -7.844 1.00 0.00 C ATOM 911 O ARG A 90 2.255 1.827 -7.556 1.00 0.00 O ATOM 912 CB ARG A 90 5.029 0.784 -6.352 1.00 0.00 C ATOM 913 CG ARG A 90 5.890 1.026 -7.594 1.00 0.00 C ATOM 914 CD ARG A 90 7.226 1.643 -7.178 1.00 0.00 C ATOM 915 NE ARG A 90 7.373 2.983 -7.814 1.00 0.00 N ATOM 916 CZ ARG A 90 8.562 3.483 -8.013 1.00 0.00 C ATOM 917 NH1 ARG A 90 9.522 2.724 -8.465 1.00 0.00 N ATOM 918 NH2 ARG A 90 8.790 4.743 -7.760 1.00 0.00 N ATOM 0 H ARG A 90 4.964 -1.590 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 90 3.066 0.023 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.819 1.730 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.568 0.160 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.060 0.087 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.371 1.690 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.274 1.736 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.048 0.994 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 90 6.545 3.509 -8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.343 1.739 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.451 3.115 -8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.039 5.336 -7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.719 5.134 -7.915 1.00 0.00 H new ATOM 932 N ASP A 91 3.302 0.654 -9.088 1.00 0.00 N ATOM 933 CA ASP A 91 2.661 1.430 -10.187 1.00 0.00 C ATOM 934 C ASP A 91 1.142 1.262 -10.110 1.00 0.00 C ATOM 935 O ASP A 91 0.404 2.226 -10.043 1.00 0.00 O ATOM 936 CB ASP A 91 3.164 0.914 -11.536 1.00 0.00 C ATOM 937 CG ASP A 91 3.213 2.069 -12.538 1.00 0.00 C ATOM 938 OD1 ASP A 91 2.997 3.196 -12.124 1.00 0.00 O ATOM 939 OD2 ASP A 91 3.466 1.807 -13.702 1.00 0.00 O ATOM 0 H ASP A 91 3.941 -0.081 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 91 2.916 2.485 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.155 0.475 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.506 0.127 -11.904 1.00 0.00 H new ATOM 944 N LEU A 92 0.668 0.046 -10.119 1.00 0.00 N ATOM 945 CA LEU A 92 -0.803 -0.181 -10.046 1.00 0.00 C ATOM 946 C LEU A 92 -1.330 0.318 -8.699 1.00 0.00 C ATOM 947 O LEU A 92 -2.467 0.731 -8.580 1.00 0.00 O ATOM 948 CB LEU A 92 -1.096 -1.676 -10.186 1.00 0.00 C ATOM 949 CG LEU A 92 -2.596 -1.921 -10.021 1.00 0.00 C ATOM 950 CD1 LEU A 92 -3.089 -2.843 -11.137 1.00 0.00 C ATOM 951 CD2 LEU A 92 -2.858 -2.579 -8.664 1.00 0.00 C ATOM 0 H LEU A 92 1.236 -0.800 -10.174 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.295 0.363 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.764 -2.032 -11.161 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.540 -2.238 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.127 -0.971 -10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.158 -3.017 -11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.902 -2.376 -12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.558 -3.794 -11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.927 -2.754 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.327 -3.529 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.507 -1.923 -7.868 1.00 0.00 H new ATOM 963 N LEU A 93 -0.513 0.284 -7.682 1.00 0.00 N ATOM 964 CA LEU A 93 -0.968 0.756 -6.344 1.00 0.00 C ATOM 965 C LEU A 93 -1.339 2.239 -6.425 1.00 0.00 C ATOM 966 O LEU A 93 -2.349 2.665 -5.902 1.00 0.00 O ATOM 967 CB LEU A 93 0.158 0.568 -5.325 1.00 0.00 C ATOM 968 CG LEU A 93 -0.058 -0.739 -4.562 1.00 0.00 C ATOM 969 CD1 LEU A 93 1.284 -1.447 -4.368 1.00 0.00 C ATOM 970 CD2 LEU A 93 -0.674 -0.434 -3.194 1.00 0.00 C ATOM 0 H LEU A 93 0.450 -0.050 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.839 0.179 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.123 0.550 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.178 1.408 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.729 -1.383 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.129 -2.379 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.725 -1.664 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.956 -0.803 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.829 -1.365 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.002 0.211 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.631 0.070 -3.330 1.00 0.00 H new ATOM 982 N LYS A 94 -0.530 3.027 -7.078 1.00 0.00 N ATOM 983 CA LYS A 94 -0.837 4.481 -7.191 1.00 0.00 C ATOM 984 C LYS A 94 -2.143 4.667 -7.967 1.00 0.00 C ATOM 985 O LYS A 94 -2.876 5.611 -7.749 1.00 0.00 O ATOM 986 CB LYS A 94 0.301 5.187 -7.931 1.00 0.00 C ATOM 987 CG LYS A 94 0.118 6.702 -7.822 1.00 0.00 C ATOM 988 CD LYS A 94 1.157 7.406 -8.697 1.00 0.00 C ATOM 989 CE LYS A 94 1.010 8.921 -8.545 1.00 0.00 C ATOM 990 NZ LYS A 94 1.882 9.608 -9.540 1.00 0.00 N ATOM 0 H LYS A 94 0.330 2.727 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.942 4.909 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.262 4.895 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.310 4.886 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.887 6.981 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.226 7.018 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.161 7.097 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.023 7.120 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.030 9.213 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.284 9.224 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.782 10.638 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.873 9.338 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.600 9.328 -10.501 1.00 0.00 H new ATOM 1004 N SER A 95 -2.439 3.774 -8.871 1.00 0.00 N ATOM 1005 CA SER A 95 -3.697 3.901 -9.659 1.00 0.00 C ATOM 1006 C SER A 95 -4.897 3.623 -8.752 1.00 0.00 C ATOM 1007 O SER A 95 -5.670 4.507 -8.439 1.00 0.00 O ATOM 1008 CB SER A 95 -3.682 2.894 -10.809 1.00 0.00 C ATOM 1009 OG SER A 95 -4.893 3.004 -11.545 1.00 0.00 O ATOM 0 H SER A 95 -1.864 2.962 -9.098 1.00 0.00 H new ATOM 0 HA SER A 95 -3.773 4.911 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.829 3.081 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.570 1.882 -10.420 1.00 0.00 H new ATOM 0 HG SER A 95 -4.886 2.361 -12.284 1.00 0.00 H new ATOM 1015 N LEU A 96 -5.060 2.400 -8.327 1.00 0.00 N ATOM 1016 CA LEU A 96 -6.210 2.066 -7.440 1.00 0.00 C ATOM 1017 C LEU A 96 -6.334 3.126 -6.344 1.00 0.00 C ATOM 1018 O LEU A 96 -7.420 3.476 -5.926 1.00 0.00 O ATOM 1019 CB LEU A 96 -5.980 0.695 -6.800 1.00 0.00 C ATOM 1020 CG LEU A 96 -4.648 0.700 -6.049 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -4.880 1.122 -4.598 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -4.042 -0.706 -6.079 1.00 0.00 C ATOM 0 H LEU A 96 -4.447 1.618 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.127 2.043 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.795 0.460 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.975 -0.080 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.965 1.403 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.930 1.125 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.313 2.122 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.563 0.420 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.092 -0.704 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.726 -1.407 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.876 -1.008 -7.113 1.00 0.00 H new ATOM 1034 N LEU A 97 -5.230 3.640 -5.876 1.00 0.00 N ATOM 1035 CA LEU A 97 -5.285 4.677 -4.807 1.00 0.00 C ATOM 1036 C LEU A 97 -6.017 5.913 -5.334 1.00 0.00 C ATOM 1037 O LEU A 97 -6.953 6.397 -4.729 1.00 0.00 O ATOM 1038 CB LEU A 97 -3.863 5.062 -4.395 1.00 0.00 C ATOM 1039 CG LEU A 97 -3.881 5.650 -2.983 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -2.611 5.233 -2.240 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.943 7.176 -3.068 1.00 0.00 C ATOM 0 H LEU A 97 -4.292 3.387 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.817 4.280 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.214 4.187 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.454 5.788 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.754 5.279 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.624 5.652 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.565 4.146 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.737 5.604 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.956 7.596 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.070 7.546 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.848 7.474 -3.598 1.00 0.00 H new ATOM 1053 N GLU A 98 -5.597 6.429 -6.456 1.00 0.00 N ATOM 1054 CA GLU A 98 -6.269 7.634 -7.020 1.00 0.00 C ATOM 1055 C GLU A 98 -7.728 7.301 -7.339 1.00 0.00 C ATOM 1056 O GLU A 98 -8.552 8.178 -7.507 1.00 0.00 O ATOM 1057 CB GLU A 98 -5.552 8.066 -8.301 1.00 0.00 C ATOM 1058 CG GLU A 98 -4.442 9.060 -7.955 1.00 0.00 C ATOM 1059 CD GLU A 98 -3.951 9.742 -9.234 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -4.628 9.625 -10.242 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -2.906 10.369 -9.183 1.00 0.00 O ATOM 0 H GLU A 98 -4.818 6.069 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.232 8.445 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.131 7.196 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.261 8.523 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.813 9.806 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.616 8.544 -7.466 1.00 0.00 H new ATOM 1068 N ALA A 99 -8.053 6.040 -7.424 1.00 0.00 N ATOM 1069 CA ALA A 99 -9.459 5.653 -7.733 1.00 0.00 C ATOM 1070 C ALA A 99 -10.382 6.156 -6.622 1.00 0.00 C ATOM 1071 O ALA A 99 -11.494 6.580 -6.869 1.00 0.00 O ATOM 1072 CB ALA A 99 -9.558 4.129 -7.827 1.00 0.00 C ATOM 0 H ALA A 99 -7.407 5.262 -7.293 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.758 6.097 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.586 3.844 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.900 3.770 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.259 3.686 -6.877 1.00 0.00 H new ATOM 1078 N LYS A 100 -9.931 6.114 -5.398 1.00 0.00 N ATOM 1079 CA LYS A 100 -10.784 6.590 -4.273 1.00 0.00 C ATOM 1080 C LYS A 100 -10.645 8.107 -4.134 1.00 0.00 C ATOM 1081 O LYS A 100 -11.512 8.774 -3.606 1.00 0.00 O ATOM 1082 CB LYS A 100 -10.338 5.916 -2.973 1.00 0.00 C ATOM 1083 CG LYS A 100 -10.648 4.419 -3.041 1.00 0.00 C ATOM 1084 CD LYS A 100 -9.340 3.626 -3.037 1.00 0.00 C ATOM 1085 CE LYS A 100 -9.603 2.210 -2.521 1.00 0.00 C ATOM 1086 NZ LYS A 100 -8.921 1.224 -3.405 1.00 0.00 N ATOM 0 H LYS A 100 -9.009 5.771 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.825 6.337 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.270 6.070 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.851 6.366 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.266 4.126 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.218 4.196 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.923 3.586 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.603 4.123 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.239 2.111 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.675 2.013 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.100 0.261 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.289 1.313 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.897 1.408 -3.405 1.00 0.00 H new ATOM 1100 N GLY A 101 -9.559 8.658 -4.604 1.00 0.00 N ATOM 1101 CA GLY A 101 -9.366 10.132 -4.499 1.00 0.00 C ATOM 1102 C GLY A 101 -8.579 10.455 -3.228 1.00 0.00 C ATOM 1103 O GLY A 101 -8.527 11.587 -2.788 1.00 0.00 O ATOM 0 H GLY A 101 -8.798 8.151 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.832 10.503 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.333 10.635 -4.479 1.00 0.00 H new ATOM 1107 N MET A 102 -7.965 9.469 -2.632 1.00 0.00 N ATOM 1108 CA MET A 102 -7.182 9.721 -1.390 1.00 0.00 C ATOM 1109 C MET A 102 -5.767 10.172 -1.761 1.00 0.00 C ATOM 1110 O MET A 102 -5.253 9.836 -2.809 1.00 0.00 O ATOM 1111 CB MET A 102 -7.107 8.435 -0.565 1.00 0.00 C ATOM 1112 CG MET A 102 -8.516 8.015 -0.143 1.00 0.00 C ATOM 1113 SD MET A 102 -8.498 7.500 1.592 1.00 0.00 S ATOM 1114 CE MET A 102 -6.971 6.531 1.525 1.00 0.00 C ATOM 0 H MET A 102 -7.972 8.500 -2.952 1.00 0.00 H new ATOM 0 HA MET A 102 -7.670 10.501 -0.805 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.640 7.642 -1.150 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.484 8.591 0.316 1.00 0.00 H new ATOM 0 HG2 MET A 102 -9.210 8.844 -0.280 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.867 7.197 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.006 5.744 2.278 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.867 6.083 0.537 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.118 7.182 1.720 1.00 0.00 H new ATOM 1124 N LYS A 103 -5.134 10.931 -0.909 1.00 0.00 N ATOM 1125 CA LYS A 103 -3.754 11.403 -1.214 1.00 0.00 C ATOM 1126 C LYS A 103 -2.751 10.298 -0.874 1.00 0.00 C ATOM 1127 O LYS A 103 -2.965 9.506 0.022 1.00 0.00 O ATOM 1128 CB LYS A 103 -3.444 12.647 -0.380 1.00 0.00 C ATOM 1129 CG LYS A 103 -3.288 13.856 -1.304 1.00 0.00 C ATOM 1130 CD LYS A 103 -2.756 15.046 -0.503 1.00 0.00 C ATOM 1131 CE LYS A 103 -2.479 16.216 -1.449 1.00 0.00 C ATOM 1132 NZ LYS A 103 -2.143 17.430 -0.653 1.00 0.00 N ATOM 0 H LYS A 103 -5.513 11.245 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.680 11.649 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.245 12.825 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.530 12.494 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.605 13.618 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.247 14.108 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.482 15.341 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.843 14.765 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.656 15.968 -2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.352 16.407 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.955 18.226 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.941 17.669 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.298 17.244 -0.076 1.00 0.00 H new ATOM 1146 N VAL A 104 -1.657 10.239 -1.583 1.00 0.00 N ATOM 1147 CA VAL A 104 -0.642 9.185 -1.300 1.00 0.00 C ATOM 1148 C VAL A 104 0.758 9.802 -1.339 1.00 0.00 C ATOM 1149 O VAL A 104 0.992 10.793 -2.002 1.00 0.00 O ATOM 1150 CB VAL A 104 -0.743 8.083 -2.356 1.00 0.00 C ATOM 1151 CG1 VAL A 104 -0.355 8.648 -3.723 1.00 0.00 C ATOM 1152 CG2 VAL A 104 0.206 6.939 -1.989 1.00 0.00 C ATOM 0 H VAL A 104 -1.422 10.875 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.825 8.760 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.766 7.710 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.427 7.862 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.029 9.464 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.668 9.021 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.135 6.153 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.229 7.313 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.070 6.536 -1.015 1.00 0.00 H new ATOM 1162 N LYS A 105 1.691 9.224 -0.633 1.00 0.00 N ATOM 1163 CA LYS A 105 3.074 9.778 -0.630 1.00 0.00 C ATOM 1164 C LYS A 105 4.050 8.713 -1.134 1.00 0.00 C ATOM 1165 O LYS A 105 4.644 7.986 -0.362 1.00 0.00 O ATOM 1166 CB LYS A 105 3.456 10.188 0.794 1.00 0.00 C ATOM 1167 CG LYS A 105 2.975 11.615 1.062 1.00 0.00 C ATOM 1168 CD LYS A 105 3.603 12.131 2.358 1.00 0.00 C ATOM 1169 CE LYS A 105 3.197 13.590 2.577 1.00 0.00 C ATOM 1170 NZ LYS A 105 3.497 13.983 3.982 1.00 0.00 N ATOM 0 H LYS A 105 1.555 8.392 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 105 3.118 10.650 -1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.009 9.502 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.537 10.127 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.248 12.264 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.888 11.635 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.277 11.521 3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.689 12.048 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.736 14.237 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.134 13.718 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.221 14.975 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.964 13.373 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.516 13.876 4.162 1.00 0.00 H new ATOM 1184 N LEU A 106 4.222 8.616 -2.424 1.00 0.00 N ATOM 1185 CA LEU A 106 5.161 7.598 -2.975 1.00 0.00 C ATOM 1186 C LEU A 106 6.508 7.704 -2.258 1.00 0.00 C ATOM 1187 O LEU A 106 7.308 8.573 -2.544 1.00 0.00 O ATOM 1188 CB LEU A 106 5.359 7.846 -4.472 1.00 0.00 C ATOM 1189 CG LEU A 106 4.735 6.698 -5.267 1.00 0.00 C ATOM 1190 CD1 LEU A 106 4.229 7.223 -6.611 1.00 0.00 C ATOM 1191 CD2 LEU A 106 5.788 5.614 -5.508 1.00 0.00 C ATOM 0 H LEU A 106 3.754 9.197 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 106 4.747 6.601 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.900 8.792 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.422 7.925 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 106 3.901 6.278 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.784 6.405 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.479 7.996 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.062 7.643 -7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.344 4.795 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.621 6.035 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.149 5.239 -4.551 1.00 0.00 H new ATOM 1203 N ALA A 107 6.765 6.828 -1.326 1.00 0.00 N ATOM 1204 CA ALA A 107 8.060 6.879 -0.591 1.00 0.00 C ATOM 1205 C ALA A 107 9.102 6.041 -1.334 1.00 0.00 C ATOM 1206 O ALA A 107 8.804 5.390 -2.316 1.00 0.00 O ATOM 1207 CB ALA A 107 7.868 6.321 0.821 1.00 0.00 C ATOM 0 H ALA A 107 6.134 6.079 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 107 8.402 7.912 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.815 6.358 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.126 6.919 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.525 5.288 0.761 1.00 0.00 H new