USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 12 SER OG : rot 96:sc= 1.82 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -41:sc= 0.604 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.112 (180deg=-0.487) USER MOD Single : A 30 THR OG1 : rot -164:sc= 0.951 USER MOD Single : A 31 THR OG1 : rot -32:sc= 0.452 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.25) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.66 K(o=-2.7,f=-3.9) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.15 F(o=-0.69,f=-0.15) USER MOD Single : A 71 THR OG1 : rot 130:sc= -0.706 USER MOD Single : A 77 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 7.115 10.500 -7.585 1.00 33.24 N ATOM 84 CA ASP A 8 5.664 10.612 -7.488 1.00 71.30 C ATOM 85 C ASP A 8 5.268 11.761 -6.567 1.00 13.32 C ATOM 86 O ASP A 8 4.084 12.053 -6.397 1.00 24.32 O ATOM 87 CB ASP A 8 5.063 9.302 -6.977 1.00 32.43 C ATOM 88 CG ASP A 8 5.371 8.129 -7.887 1.00 24.03 C ATOM 89 OD1 ASP A 8 5.232 8.281 -9.119 1.00 24.13 O ATOM 90 OD2 ASP A 8 5.753 7.060 -7.367 1.00 72.41 O ATOM 0 HA ASP A 8 5.273 10.818 -8.484 1.00 71.30 H new ATOM 0 HB2 ASP A 8 5.448 9.094 -5.979 1.00 32.43 H new ATOM 0 HB3 ASP A 8 3.983 9.413 -6.885 1.00 32.43 H new ATOM 95 N GLU A 9 6.266 12.409 -5.974 1.00 51.33 N ATOM 96 CA GLU A 9 6.020 13.526 -5.069 1.00 22.52 C ATOM 97 C GLU A 9 6.324 14.856 -5.751 1.00 10.41 C ATOM 98 O GLU A 9 5.787 15.897 -5.371 1.00 55.22 O ATOM 99 CB GLU A 9 6.870 13.382 -3.805 1.00 2.24 C ATOM 100 CG GLU A 9 6.198 12.573 -2.708 1.00 2.42 C ATOM 101 CD GLU A 9 5.583 11.287 -3.225 1.00 11.52 C ATOM 102 OE1 GLU A 9 4.456 11.342 -3.760 1.00 63.54 O ATOM 103 OE2 GLU A 9 6.229 10.227 -3.094 1.00 21.24 O ATOM 0 H GLU A 9 7.251 12.180 -6.104 1.00 51.33 H new ATOM 0 HA GLU A 9 4.966 13.512 -4.793 1.00 22.52 H new ATOM 0 HB2 GLU A 9 7.817 12.909 -4.066 1.00 2.24 H new ATOM 0 HB3 GLU A 9 7.105 14.374 -3.421 1.00 2.24 H new ATOM 0 HG2 GLU A 9 6.930 12.336 -1.936 1.00 2.42 H new ATOM 0 HG3 GLU A 9 5.423 13.179 -2.238 1.00 2.42 H new ATOM 110 N ILE A 10 7.189 14.814 -6.759 1.00 11.03 N ATOM 111 CA ILE A 10 7.564 16.016 -7.494 1.00 32.52 C ATOM 112 C ILE A 10 6.391 16.549 -8.310 1.00 3.12 C ATOM 113 O ILE A 10 6.003 17.710 -8.174 1.00 22.45 O ATOM 114 CB ILE A 10 8.752 15.751 -8.437 1.00 24.43 C ATOM 115 CG1 ILE A 10 9.969 15.276 -7.639 1.00 34.02 C ATOM 116 CG2 ILE A 10 9.089 17.004 -9.230 1.00 10.51 C ATOM 117 CD1 ILE A 10 10.880 14.354 -8.418 1.00 44.31 C ATOM 0 H ILE A 10 7.643 13.961 -7.085 1.00 11.03 H new ATOM 0 HA ILE A 10 7.857 16.760 -6.754 1.00 32.52 H new ATOM 0 HB ILE A 10 8.471 14.965 -9.138 1.00 24.43 H new ATOM 0 HG12 ILE A 10 10.539 16.145 -7.310 1.00 34.02 H new ATOM 0 HG13 ILE A 10 9.626 14.762 -6.741 1.00 34.02 H new ATOM 0 HG21 ILE A 10 9.931 16.800 -9.892 1.00 10.51 H new ATOM 0 HG22 ILE A 10 8.225 17.302 -9.823 1.00 10.51 H new ATOM 0 HG23 ILE A 10 9.353 17.809 -8.544 1.00 10.51 H new ATOM 0 HD11 ILE A 10 11.720 14.057 -7.790 1.00 44.31 H new ATOM 0 HD12 ILE A 10 10.325 13.467 -8.724 1.00 44.31 H new ATOM 0 HD13 ILE A 10 11.252 14.872 -9.302 1.00 44.31 H new ATOM 129 N PHE A 11 5.829 15.694 -9.157 1.00 63.42 N ATOM 130 CA PHE A 11 4.700 16.078 -9.995 1.00 54.32 C ATOM 131 C PHE A 11 3.435 16.249 -9.159 1.00 31.45 C ATOM 132 O PHE A 11 2.527 16.993 -9.530 1.00 64.41 O ATOM 133 CB PHE A 11 4.466 15.031 -11.086 1.00 30.55 C ATOM 134 CG PHE A 11 3.550 13.918 -10.662 1.00 12.33 C ATOM 135 CD1 PHE A 11 3.916 13.051 -9.645 1.00 14.34 C ATOM 136 CD2 PHE A 11 2.323 13.740 -11.280 1.00 12.01 C ATOM 137 CE1 PHE A 11 3.075 12.027 -9.253 1.00 72.43 C ATOM 138 CE2 PHE A 11 1.477 12.717 -10.893 1.00 5.34 C ATOM 139 CZ PHE A 11 1.854 11.860 -9.877 1.00 53.12 C ATOM 0 H PHE A 11 6.137 14.730 -9.281 1.00 63.42 H new ATOM 0 HA PHE A 11 4.937 17.033 -10.463 1.00 54.32 H new ATOM 0 HB2 PHE A 11 4.047 15.521 -11.965 1.00 30.55 H new ATOM 0 HB3 PHE A 11 5.425 14.608 -11.384 1.00 30.55 H new ATOM 0 HD1 PHE A 11 4.869 13.177 -9.153 1.00 14.34 H new ATOM 0 HD2 PHE A 11 2.024 14.408 -12.074 1.00 12.01 H new ATOM 0 HE1 PHE A 11 3.372 11.358 -8.459 1.00 72.43 H new ATOM 0 HE2 PHE A 11 0.524 12.588 -11.384 1.00 5.34 H new ATOM 0 HZ PHE A 11 1.195 11.061 -9.571 1.00 53.12 H new ATOM 149 N SER A 12 3.383 15.553 -8.027 1.00 50.10 N ATOM 150 CA SER A 12 2.229 15.623 -7.139 1.00 15.10 C ATOM 151 C SER A 12 2.249 16.911 -6.322 1.00 0.40 C ATOM 152 O SER A 12 1.234 17.596 -6.194 1.00 52.34 O ATOM 153 CB SER A 12 2.204 14.413 -6.203 1.00 71.14 C ATOM 154 OG SER A 12 1.757 13.252 -6.883 1.00 1.23 O ATOM 0 H SER A 12 4.127 14.934 -7.704 1.00 50.10 H new ATOM 0 HA SER A 12 1.329 15.617 -7.754 1.00 15.10 H new ATOM 0 HB2 SER A 12 3.202 14.241 -5.799 1.00 71.14 H new ATOM 0 HB3 SER A 12 1.549 14.618 -5.356 1.00 71.14 H new ATOM 0 HG SER A 12 2.531 12.737 -7.194 1.00 1.23 H new ATOM 160 N LYS A 13 3.413 17.236 -5.770 1.00 21.34 N ATOM 161 CA LYS A 13 3.569 18.442 -4.965 1.00 64.23 C ATOM 162 C LYS A 13 3.427 19.693 -5.827 1.00 21.52 C ATOM 163 O LYS A 13 2.656 20.597 -5.504 1.00 24.42 O ATOM 164 CB LYS A 13 4.932 18.442 -4.268 1.00 71.14 C ATOM 165 CG LYS A 13 5.248 19.743 -3.552 1.00 4.13 C ATOM 166 CD LYS A 13 6.381 19.569 -2.554 1.00 63.02 C ATOM 167 CE LYS A 13 6.925 20.911 -2.088 1.00 72.03 C ATOM 168 NZ LYS A 13 7.586 20.810 -0.758 1.00 31.13 N ATOM 0 H LYS A 13 4.263 16.680 -5.865 1.00 21.34 H new ATOM 0 HA LYS A 13 2.782 18.450 -4.211 1.00 64.23 H new ATOM 0 HB2 LYS A 13 4.963 17.624 -3.548 1.00 71.14 H new ATOM 0 HB3 LYS A 13 5.709 18.246 -5.007 1.00 71.14 H new ATOM 0 HG2 LYS A 13 5.519 20.505 -4.283 1.00 4.13 H new ATOM 0 HG3 LYS A 13 4.358 20.100 -3.035 1.00 4.13 H new ATOM 0 HD2 LYS A 13 6.026 19.001 -1.694 1.00 63.02 H new ATOM 0 HD3 LYS A 13 7.183 18.989 -3.010 1.00 63.02 H new ATOM 0 HE2 LYS A 13 7.639 21.288 -2.821 1.00 72.03 H new ATOM 0 HE3 LYS A 13 6.111 21.634 -2.035 1.00 72.03 H new ATOM 0 HZ1 LYS A 13 7.943 21.745 -0.476 1.00 31.13 H new ATOM 0 HZ2 LYS A 13 6.899 20.475 -0.053 1.00 31.13 H new ATOM 0 HZ3 LYS A 13 8.379 20.139 -0.814 1.00 31.13 H new ATOM 182 N VAL A 14 4.174 19.737 -6.925 1.00 42.14 N ATOM 183 CA VAL A 14 4.129 20.876 -7.835 1.00 22.12 C ATOM 184 C VAL A 14 2.716 21.107 -8.357 1.00 35.50 C ATOM 185 O VAL A 14 2.213 22.230 -8.342 1.00 41.43 O ATOM 186 CB VAL A 14 5.080 20.678 -9.030 1.00 62.50 C ATOM 187 CG1 VAL A 14 4.959 21.837 -10.007 1.00 74.34 C ATOM 188 CG2 VAL A 14 6.515 20.523 -8.549 1.00 10.32 C ATOM 0 H VAL A 14 4.818 18.997 -7.206 1.00 42.14 H new ATOM 0 HA VAL A 14 4.450 21.748 -7.266 1.00 22.12 H new ATOM 0 HB VAL A 14 4.795 19.764 -9.551 1.00 62.50 H new ATOM 0 HG11 VAL A 14 5.638 21.679 -10.845 1.00 74.34 H new ATOM 0 HG12 VAL A 14 3.935 21.896 -10.376 1.00 74.34 H new ATOM 0 HG13 VAL A 14 5.216 22.768 -9.501 1.00 74.34 H new ATOM 0 HG21 VAL A 14 7.173 20.384 -9.407 1.00 10.32 H new ATOM 0 HG22 VAL A 14 6.814 21.418 -8.003 1.00 10.32 H new ATOM 0 HG23 VAL A 14 6.587 19.656 -7.892 1.00 10.32 H new ATOM 198 N ARG A 15 2.079 20.035 -8.818 1.00 34.13 N ATOM 199 CA ARG A 15 0.722 20.120 -9.345 1.00 43.45 C ATOM 200 C ARG A 15 -0.273 20.447 -8.236 1.00 52.21 C ATOM 201 O ARG A 15 -1.251 21.162 -8.457 1.00 30.34 O ATOM 202 CB ARG A 15 0.333 18.806 -10.024 1.00 55.02 C ATOM 203 CG ARG A 15 -1.115 18.765 -10.487 1.00 2.14 C ATOM 204 CD ARG A 15 -1.213 18.638 -11.999 1.00 11.33 C ATOM 205 NE ARG A 15 -0.715 17.350 -12.474 1.00 3.35 N ATOM 206 CZ ARG A 15 -0.960 16.870 -13.687 1.00 60.53 C ATOM 207 NH1 ARG A 15 -1.693 17.567 -14.545 1.00 22.35 N ATOM 208 NH2 ARG A 15 -0.471 15.689 -14.046 1.00 13.10 N ATOM 0 H ARG A 15 2.481 19.098 -8.837 1.00 34.13 H new ATOM 0 HA ARG A 15 0.695 20.923 -10.081 1.00 43.45 H new ATOM 0 HB2 ARG A 15 0.985 18.643 -10.882 1.00 55.02 H new ATOM 0 HB3 ARG A 15 0.507 17.983 -9.331 1.00 55.02 H new ATOM 0 HG2 ARG A 15 -1.625 17.924 -10.016 1.00 2.14 H new ATOM 0 HG3 ARG A 15 -1.628 19.671 -10.163 1.00 2.14 H new ATOM 0 HD2 ARG A 15 -2.252 18.761 -12.306 1.00 11.33 H new ATOM 0 HD3 ARG A 15 -0.645 19.441 -12.468 1.00 11.33 H new ATOM 0 HE ARG A 15 -0.148 16.788 -11.839 1.00 3.35 H new ATOM 0 HH11 ARG A 15 -2.070 18.475 -14.273 1.00 22.35 H new ATOM 0 HH12 ARG A 15 -1.879 17.195 -15.476 1.00 22.35 H new ATOM 0 HH21 ARG A 15 0.093 15.150 -13.389 1.00 13.10 H new ATOM 0 HH22 ARG A 15 -0.660 15.321 -14.978 1.00 13.10 H new ATOM 222 N SER A 16 -0.017 19.919 -7.044 1.00 31.33 N ATOM 223 CA SER A 16 -0.893 20.150 -5.901 1.00 3.41 C ATOM 224 C SER A 16 -1.078 21.644 -5.653 1.00 13.32 C ATOM 225 O SER A 16 -2.076 22.068 -5.068 1.00 44.10 O ATOM 226 CB SER A 16 -0.321 19.481 -4.650 1.00 11.24 C ATOM 227 OG SER A 16 -1.018 19.894 -3.487 1.00 34.41 O ATOM 0 H SER A 16 0.790 19.328 -6.844 1.00 31.33 H new ATOM 0 HA SER A 16 -1.866 19.713 -6.125 1.00 3.41 H new ATOM 0 HB2 SER A 16 -0.386 18.398 -4.751 1.00 11.24 H new ATOM 0 HB3 SER A 16 0.736 19.729 -4.552 1.00 11.24 H new ATOM 0 HG SER A 16 -0.634 19.451 -2.701 1.00 34.41 H new ATOM 233 N ILE A 17 -0.111 22.437 -6.101 1.00 64.35 N ATOM 234 CA ILE A 17 -0.167 23.883 -5.930 1.00 11.05 C ATOM 235 C ILE A 17 -1.250 24.499 -6.808 1.00 52.34 C ATOM 236 O ILE A 17 -2.124 25.218 -6.322 1.00 45.31 O ATOM 237 CB ILE A 17 1.185 24.543 -6.261 1.00 75.55 C ATOM 238 CG1 ILE A 17 2.289 23.968 -5.372 1.00 41.12 C ATOM 239 CG2 ILE A 17 1.093 26.052 -6.093 1.00 71.23 C ATOM 240 CD1 ILE A 17 3.680 24.398 -5.783 1.00 1.04 C ATOM 0 H ILE A 17 0.722 22.102 -6.586 1.00 64.35 H new ATOM 0 HA ILE A 17 -0.404 24.067 -4.882 1.00 11.05 H new ATOM 0 HB ILE A 17 1.433 24.328 -7.300 1.00 75.55 H new ATOM 0 HG12 ILE A 17 2.112 24.276 -4.341 1.00 41.12 H new ATOM 0 HG13 ILE A 17 2.232 22.880 -5.394 1.00 41.12 H new ATOM 0 HG21 ILE A 17 2.056 26.504 -6.330 1.00 71.23 H new ATOM 0 HG22 ILE A 17 0.331 26.447 -6.765 1.00 71.23 H new ATOM 0 HG23 ILE A 17 0.826 26.288 -5.063 1.00 71.23 H new ATOM 0 HD11 ILE A 17 4.412 23.953 -5.109 1.00 1.04 H new ATOM 0 HD12 ILE A 17 3.877 24.067 -6.803 1.00 1.04 H new ATOM 0 HD13 ILE A 17 3.754 25.484 -5.734 1.00 1.04 H new ATOM 252 N ILE A 18 -1.188 24.211 -8.104 1.00 41.30 N ATOM 253 CA ILE A 18 -2.165 24.735 -9.050 1.00 72.23 C ATOM 254 C ILE A 18 -3.496 24.001 -8.928 1.00 54.11 C ATOM 255 O ILE A 18 -4.556 24.567 -9.196 1.00 41.40 O ATOM 256 CB ILE A 18 -1.661 24.622 -10.501 1.00 63.20 C ATOM 257 CG1 ILE A 18 -1.358 23.162 -10.847 1.00 15.24 C ATOM 258 CG2 ILE A 18 -0.425 25.486 -10.701 1.00 3.01 C ATOM 259 CD1 ILE A 18 -0.878 22.965 -12.267 1.00 65.22 C ATOM 0 H ILE A 18 -0.472 23.618 -8.522 1.00 41.30 H new ATOM 0 HA ILE A 18 -2.309 25.787 -8.805 1.00 72.23 H new ATOM 0 HB ILE A 18 -2.443 24.980 -11.170 1.00 63.20 H new ATOM 0 HG12 ILE A 18 -0.601 22.784 -10.160 1.00 15.24 H new ATOM 0 HG13 ILE A 18 -2.257 22.566 -10.690 1.00 15.24 H new ATOM 0 HG21 ILE A 18 -0.081 25.396 -11.731 1.00 3.01 H new ATOM 0 HG22 ILE A 18 -0.671 26.527 -10.491 1.00 3.01 H new ATOM 0 HG23 ILE A 18 0.363 25.155 -10.025 1.00 3.01 H new ATOM 0 HD11 ILE A 18 -0.683 21.907 -12.442 1.00 65.22 H new ATOM 0 HD12 ILE A 18 -1.643 23.312 -12.961 1.00 65.22 H new ATOM 0 HD13 ILE A 18 0.039 23.534 -12.423 1.00 65.22 H new ATOM 271 N SER A 19 -3.434 22.738 -8.520 1.00 71.41 N ATOM 272 CA SER A 19 -4.635 21.925 -8.364 1.00 23.21 C ATOM 273 C SER A 19 -5.698 22.674 -7.566 1.00 23.42 C ATOM 274 O SER A 19 -6.894 22.448 -7.742 1.00 53.24 O ATOM 275 CB SER A 19 -4.295 20.604 -7.670 1.00 14.44 C ATOM 276 OG SER A 19 -4.017 20.808 -6.295 1.00 60.21 O ATOM 0 H SER A 19 -2.565 22.255 -8.291 1.00 71.41 H new ATOM 0 HA SER A 19 -5.033 21.714 -9.356 1.00 23.21 H new ATOM 0 HB2 SER A 19 -5.127 19.908 -7.777 1.00 14.44 H new ATOM 0 HB3 SER A 19 -3.433 20.146 -8.155 1.00 14.44 H new ATOM 0 HG SER A 19 -3.475 21.617 -6.187 1.00 60.21 H new ATOM 282 N GLU A 20 -5.250 23.565 -6.687 1.00 52.42 N ATOM 283 CA GLU A 20 -6.163 24.347 -5.861 1.00 42.00 C ATOM 284 C GLU A 20 -7.154 25.120 -6.727 1.00 22.13 C ATOM 285 O GLU A 20 -8.367 24.973 -6.581 1.00 22.44 O ATOM 286 CB GLU A 20 -5.379 25.317 -4.974 1.00 33.31 C ATOM 287 CG GLU A 20 -6.229 25.990 -3.909 1.00 52.15 C ATOM 288 CD GLU A 20 -7.101 25.008 -3.151 1.00 64.11 C ATOM 289 OE1 GLU A 20 -6.545 24.169 -2.412 1.00 70.31 O ATOM 290 OE2 GLU A 20 -8.339 25.079 -3.297 1.00 50.10 O ATOM 0 H GLU A 20 -4.262 23.763 -6.529 1.00 52.42 H new ATOM 0 HA GLU A 20 -6.721 23.657 -5.228 1.00 42.00 H new ATOM 0 HB2 GLU A 20 -4.565 24.777 -4.490 1.00 33.31 H new ATOM 0 HB3 GLU A 20 -4.924 26.083 -5.602 1.00 33.31 H new ATOM 0 HG2 GLU A 20 -5.579 26.510 -3.206 1.00 52.15 H new ATOM 0 HG3 GLU A 20 -6.861 26.745 -4.377 1.00 52.15 H new ATOM 297 N GLN A 21 -6.627 25.944 -7.627 1.00 30.31 N ATOM 298 CA GLN A 21 -7.465 26.741 -8.515 1.00 31.30 C ATOM 299 C GLN A 21 -7.836 25.952 -9.767 1.00 1.14 C ATOM 300 O GLN A 21 -8.995 25.939 -10.184 1.00 63.31 O ATOM 301 CB GLN A 21 -6.746 28.033 -8.906 1.00 64.33 C ATOM 302 CG GLN A 21 -6.790 29.104 -7.829 1.00 24.14 C ATOM 303 CD GLN A 21 -8.054 29.938 -7.886 1.00 35.43 C ATOM 304 OE1 GLN A 21 -8.350 30.570 -8.900 1.00 45.21 O ATOM 305 NE2 GLN A 21 -8.810 29.943 -6.794 1.00 33.41 N ATOM 0 H GLN A 21 -5.625 26.077 -7.760 1.00 30.31 H new ATOM 0 HA GLN A 21 -8.382 26.991 -7.981 1.00 31.30 H new ATOM 0 HB2 GLN A 21 -5.706 27.804 -9.137 1.00 64.33 H new ATOM 0 HB3 GLN A 21 -7.195 28.427 -9.817 1.00 64.33 H new ATOM 0 HG2 GLN A 21 -6.715 28.632 -6.849 1.00 24.14 H new ATOM 0 HG3 GLN A 21 -5.924 29.757 -7.936 1.00 24.14 H new ATOM 0 HE21 GLN A 21 -8.527 29.405 -5.975 1.00 33.41 H new ATOM 0 HE22 GLN A 21 -9.674 30.485 -6.774 1.00 33.41 H new ATOM 314 N LEU A 22 -6.846 25.296 -10.362 1.00 4.44 N ATOM 315 CA LEU A 22 -7.067 24.505 -11.567 1.00 35.13 C ATOM 316 C LEU A 22 -8.060 23.378 -11.303 1.00 35.53 C ATOM 317 O LEU A 22 -8.812 22.978 -12.192 1.00 62.32 O ATOM 318 CB LEU A 22 -5.744 23.927 -12.072 1.00 34.44 C ATOM 319 CG LEU A 22 -4.909 24.844 -12.965 1.00 63.55 C ATOM 320 CD1 LEU A 22 -4.596 26.148 -12.248 1.00 63.43 C ATOM 321 CD2 LEU A 22 -3.625 24.147 -13.393 1.00 73.50 C ATOM 0 H LEU A 22 -5.882 25.296 -10.029 1.00 4.44 H new ATOM 0 HA LEU A 22 -7.484 25.161 -12.331 1.00 35.13 H new ATOM 0 HB2 LEU A 22 -5.141 23.646 -11.209 1.00 34.44 H new ATOM 0 HB3 LEU A 22 -5.958 23.012 -12.624 1.00 34.44 H new ATOM 0 HG LEU A 22 -5.489 25.075 -13.858 1.00 63.55 H new ATOM 0 HD11 LEU A 22 -4.001 26.788 -12.900 1.00 63.43 H new ATOM 0 HD12 LEU A 22 -5.526 26.655 -11.993 1.00 63.43 H new ATOM 0 HD13 LEU A 22 -4.036 25.937 -11.337 1.00 63.43 H new ATOM 0 HD21 LEU A 22 -3.043 24.815 -14.028 1.00 73.50 H new ATOM 0 HD22 LEU A 22 -3.041 23.886 -12.510 1.00 73.50 H new ATOM 0 HD23 LEU A 22 -3.870 23.241 -13.947 1.00 73.50 H new ATOM 333 N ASP A 23 -8.059 22.871 -10.075 1.00 34.13 N ATOM 334 CA ASP A 23 -8.962 21.792 -9.692 1.00 35.30 C ATOM 335 C ASP A 23 -8.850 20.619 -10.661 1.00 45.23 C ATOM 336 O ASP A 23 -9.806 19.870 -10.860 1.00 63.52 O ATOM 337 CB ASP A 23 -10.406 22.297 -9.649 1.00 25.31 C ATOM 338 CG ASP A 23 -10.663 23.214 -8.470 1.00 2.41 C ATOM 339 OD1 ASP A 23 -10.335 22.823 -7.330 1.00 61.31 O ATOM 340 OD2 ASP A 23 -11.191 24.325 -8.687 1.00 72.30 O ATOM 0 H ASP A 23 -7.443 23.190 -9.328 1.00 34.13 H new ATOM 0 HA ASP A 23 -8.675 21.448 -8.698 1.00 35.30 H new ATOM 0 HB2 ASP A 23 -10.630 22.828 -10.574 1.00 25.31 H new ATOM 0 HB3 ASP A 23 -11.084 21.445 -9.598 1.00 25.31 H new ATOM 345 N LYS A 24 -7.675 20.467 -11.263 1.00 61.03 N ATOM 346 CA LYS A 24 -7.435 19.386 -12.212 1.00 53.12 C ATOM 347 C LYS A 24 -6.959 18.127 -11.494 1.00 52.42 C ATOM 348 O LYS A 24 -6.654 18.158 -10.302 1.00 21.12 O ATOM 349 CB LYS A 24 -6.399 19.815 -13.254 1.00 33.41 C ATOM 350 CG LYS A 24 -6.928 20.823 -14.259 1.00 14.22 C ATOM 351 CD LYS A 24 -7.549 20.137 -15.464 1.00 21.40 C ATOM 352 CE LYS A 24 -9.027 19.852 -15.243 1.00 64.45 C ATOM 353 NZ LYS A 24 -9.757 19.681 -16.530 1.00 64.21 N ATOM 0 H LYS A 24 -6.874 21.079 -11.110 1.00 61.03 H new ATOM 0 HA LYS A 24 -8.376 19.162 -12.715 1.00 53.12 H new ATOM 0 HB2 LYS A 24 -5.537 20.243 -12.742 1.00 33.41 H new ATOM 0 HB3 LYS A 24 -6.047 18.933 -13.788 1.00 33.41 H new ATOM 0 HG2 LYS A 24 -7.671 21.460 -13.779 1.00 14.22 H new ATOM 0 HG3 LYS A 24 -6.116 21.471 -14.587 1.00 14.22 H new ATOM 0 HD2 LYS A 24 -7.427 20.766 -16.345 1.00 21.40 H new ATOM 0 HD3 LYS A 24 -7.023 19.203 -15.664 1.00 21.40 H new ATOM 0 HE2 LYS A 24 -9.137 18.950 -14.640 1.00 64.45 H new ATOM 0 HE3 LYS A 24 -9.474 20.670 -14.678 1.00 64.45 H new ATOM 0 HZ1 LYS A 24 -10.761 19.488 -16.337 1.00 64.21 H new ATOM 0 HZ2 LYS A 24 -9.674 20.550 -17.095 1.00 64.21 H new ATOM 0 HZ3 LYS A 24 -9.347 18.885 -17.058 1.00 64.21 H new ATOM 367 N LYS A 25 -6.897 17.021 -12.228 1.00 4.23 N ATOM 368 CA LYS A 25 -6.455 15.752 -11.663 1.00 22.25 C ATOM 369 C LYS A 25 -5.023 15.438 -12.084 1.00 22.33 C ATOM 370 O LYS A 25 -4.686 15.501 -13.266 1.00 14.24 O ATOM 371 CB LYS A 25 -7.387 14.621 -12.104 1.00 52.41 C ATOM 372 CG LYS A 25 -8.578 14.420 -11.183 1.00 2.22 C ATOM 373 CD LYS A 25 -9.423 15.679 -11.080 1.00 64.02 C ATOM 374 CE LYS A 25 -10.064 16.030 -12.414 1.00 34.32 C ATOM 375 NZ LYS A 25 -10.837 14.887 -12.975 1.00 52.10 N ATOM 0 H LYS A 25 -7.147 16.978 -13.216 1.00 4.23 H new ATOM 0 HA LYS A 25 -6.485 15.837 -10.577 1.00 22.25 H new ATOM 0 HB2 LYS A 25 -7.748 14.831 -13.111 1.00 52.41 H new ATOM 0 HB3 LYS A 25 -6.818 13.693 -12.157 1.00 52.41 H new ATOM 0 HG2 LYS A 25 -9.191 13.599 -11.554 1.00 2.22 H new ATOM 0 HG3 LYS A 25 -8.228 14.134 -10.191 1.00 2.22 H new ATOM 0 HD2 LYS A 25 -10.199 15.537 -10.328 1.00 64.02 H new ATOM 0 HD3 LYS A 25 -8.802 16.509 -10.744 1.00 64.02 H new ATOM 0 HE2 LYS A 25 -10.725 16.887 -12.285 1.00 34.32 H new ATOM 0 HE3 LYS A 25 -9.290 16.328 -13.122 1.00 34.32 H new ATOM 0 HZ1 LYS A 25 -11.470 15.231 -13.725 1.00 52.10 H new ATOM 0 HZ2 LYS A 25 -10.180 14.185 -13.371 1.00 52.10 H new ATOM 0 HZ3 LYS A 25 -11.401 14.446 -12.221 1.00 52.10 H new ATOM 389 N GLU A 26 -4.185 15.098 -11.109 1.00 71.41 N ATOM 390 CA GLU A 26 -2.790 14.773 -11.381 1.00 3.03 C ATOM 391 C GLU A 26 -2.679 13.497 -12.211 1.00 15.15 C ATOM 392 O GLU A 26 -1.643 13.226 -12.816 1.00 63.44 O ATOM 393 CB GLU A 26 -2.016 14.611 -10.070 1.00 73.35 C ATOM 394 CG GLU A 26 -2.610 13.568 -9.138 1.00 53.32 C ATOM 395 CD GLU A 26 -2.282 12.150 -9.564 1.00 11.33 C ATOM 396 OE1 GLU A 26 -1.098 11.875 -9.851 1.00 55.40 O ATOM 397 OE2 GLU A 26 -3.210 11.315 -9.609 1.00 41.40 O ATOM 0 H GLU A 26 -4.448 15.041 -10.125 1.00 71.41 H new ATOM 0 HA GLU A 26 -2.357 15.595 -11.951 1.00 3.03 H new ATOM 0 HB2 GLU A 26 -0.986 14.338 -10.297 1.00 73.35 H new ATOM 0 HB3 GLU A 26 -1.985 15.571 -9.555 1.00 73.35 H new ATOM 0 HG2 GLU A 26 -2.237 13.735 -8.127 1.00 53.32 H new ATOM 0 HG3 GLU A 26 -3.692 13.692 -9.103 1.00 53.32 H new ATOM 404 N ASP A 27 -3.755 12.718 -12.232 1.00 72.03 N ATOM 405 CA ASP A 27 -3.781 11.471 -12.987 1.00 62.35 C ATOM 406 C ASP A 27 -4.244 11.713 -14.421 1.00 31.44 C ATOM 407 O ASP A 27 -4.542 10.770 -15.154 1.00 11.25 O ATOM 408 CB ASP A 27 -4.700 10.456 -12.306 1.00 25.43 C ATOM 409 CG ASP A 27 -4.285 9.024 -12.580 1.00 63.52 C ATOM 410 OD1 ASP A 27 -3.472 8.482 -11.802 1.00 13.11 O ATOM 411 OD2 ASP A 27 -4.772 8.444 -13.574 1.00 1.41 O ATOM 0 H ASP A 27 -4.620 12.928 -11.735 1.00 72.03 H new ATOM 0 HA ASP A 27 -2.768 11.071 -13.014 1.00 62.35 H new ATOM 0 HB2 ASP A 27 -4.697 10.632 -11.230 1.00 25.43 H new ATOM 0 HB3 ASP A 27 -5.723 10.607 -12.651 1.00 25.43 H new ATOM 416 N GLU A 28 -4.303 12.982 -14.812 1.00 31.30 N ATOM 417 CA GLU A 28 -4.732 13.347 -16.157 1.00 33.50 C ATOM 418 C GLU A 28 -3.577 13.231 -17.147 1.00 22.30 C ATOM 419 O GLU A 28 -3.719 13.562 -18.324 1.00 71.04 O ATOM 420 CB GLU A 28 -5.288 14.772 -16.170 1.00 34.12 C ATOM 421 CG GLU A 28 -4.233 15.835 -16.428 1.00 35.41 C ATOM 422 CD GLU A 28 -4.789 17.243 -16.334 1.00 64.45 C ATOM 423 OE1 GLU A 28 -5.756 17.548 -17.064 1.00 24.15 O ATOM 424 OE2 GLU A 28 -4.256 18.039 -15.533 1.00 75.23 O ATOM 0 H GLU A 28 -4.059 13.774 -14.217 1.00 31.30 H new ATOM 0 HA GLU A 28 -5.518 12.655 -16.460 1.00 33.50 H new ATOM 0 HB2 GLU A 28 -6.060 14.845 -16.936 1.00 34.12 H new ATOM 0 HB3 GLU A 28 -5.769 14.974 -15.213 1.00 34.12 H new ATOM 0 HG2 GLU A 28 -3.423 15.720 -15.708 1.00 35.41 H new ATOM 0 HG3 GLU A 28 -3.804 15.683 -17.418 1.00 35.41 H new ATOM 431 N ILE A 29 -2.434 12.759 -16.661 1.00 2.25 N ATOM 432 CA ILE A 29 -1.254 12.599 -17.502 1.00 13.21 C ATOM 433 C ILE A 29 -1.588 11.831 -18.776 1.00 20.51 C ATOM 434 O ILE A 29 -1.857 10.629 -18.738 1.00 12.42 O ATOM 435 CB ILE A 29 -0.125 11.866 -16.754 1.00 42.13 C ATOM 436 CG1 ILE A 29 0.407 12.734 -15.612 1.00 23.20 C ATOM 437 CG2 ILE A 29 0.996 11.501 -17.716 1.00 23.44 C ATOM 438 CD1 ILE A 29 1.163 13.956 -16.083 1.00 44.23 C ATOM 0 H ILE A 29 -2.300 12.481 -15.689 1.00 2.25 H new ATOM 0 HA ILE A 29 -0.914 13.601 -17.763 1.00 13.21 H new ATOM 0 HB ILE A 29 -0.527 10.946 -16.329 1.00 42.13 H new ATOM 0 HG12 ILE A 29 -0.429 13.052 -14.989 1.00 23.20 H new ATOM 0 HG13 ILE A 29 1.062 12.131 -14.983 1.00 23.20 H new ATOM 0 HG21 ILE A 29 1.787 10.983 -17.173 1.00 23.44 H new ATOM 0 HG22 ILE A 29 0.606 10.850 -18.498 1.00 23.44 H new ATOM 0 HG23 ILE A 29 1.399 12.408 -18.167 1.00 23.44 H new ATOM 0 HD11 ILE A 29 1.511 14.524 -15.220 1.00 44.23 H new ATOM 0 HD12 ILE A 29 2.019 13.646 -16.682 1.00 44.23 H new ATOM 0 HD13 ILE A 29 0.505 14.581 -16.687 1.00 44.23 H new ATOM 450 N THR A 30 -1.567 12.531 -19.906 1.00 21.22 N ATOM 451 CA THR A 30 -1.866 11.915 -21.192 1.00 73.13 C ATOM 452 C THR A 30 -1.445 12.818 -22.346 1.00 4.13 C ATOM 453 O THR A 30 -1.218 14.014 -22.161 1.00 2.40 O ATOM 454 CB THR A 30 -3.367 11.597 -21.327 1.00 34.50 C ATOM 455 OG1 THR A 30 -3.630 11.002 -22.603 1.00 44.11 O ATOM 456 CG2 THR A 30 -4.204 12.857 -21.167 1.00 73.23 C ATOM 0 H THR A 30 -1.346 13.525 -19.956 1.00 21.22 H new ATOM 0 HA THR A 30 -1.299 10.985 -21.236 1.00 73.13 H new ATOM 0 HB THR A 30 -3.639 10.896 -20.537 1.00 34.50 H new ATOM 0 HG1 THR A 30 -4.593 11.030 -22.785 1.00 44.11 H new ATOM 0 HG21 THR A 30 -5.260 12.607 -21.266 1.00 73.23 H new ATOM 0 HG22 THR A 30 -4.025 13.291 -20.183 1.00 73.23 H new ATOM 0 HG23 THR A 30 -3.928 13.578 -21.937 1.00 73.23 H new ATOM 464 N THR A 31 -1.341 12.239 -23.538 1.00 34.31 N ATOM 465 CA THR A 31 -0.946 12.991 -24.722 1.00 14.33 C ATOM 466 C THR A 31 -2.125 13.767 -25.299 1.00 0.14 C ATOM 467 O THR A 31 -1.956 14.597 -26.192 1.00 53.30 O ATOM 468 CB THR A 31 -0.374 12.065 -25.811 1.00 44.10 C ATOM 469 OG1 THR A 31 0.065 12.840 -26.932 1.00 54.25 O ATOM 470 CG2 THR A 31 -1.415 11.053 -26.264 1.00 13.15 C ATOM 0 H THR A 31 -1.525 11.250 -23.709 1.00 34.31 H new ATOM 0 HA THR A 31 -0.172 13.691 -24.408 1.00 14.33 H new ATOM 0 HB THR A 31 0.474 11.525 -25.389 1.00 44.10 H new ATOM 0 HG1 THR A 31 -0.505 13.631 -27.026 1.00 54.25 H new ATOM 0 HG21 THR A 31 -0.987 10.410 -27.033 1.00 13.15 H new ATOM 0 HG22 THR A 31 -1.725 10.445 -25.414 1.00 13.15 H new ATOM 0 HG23 THR A 31 -2.280 11.578 -26.669 1.00 13.15 H new ATOM 478 N ASP A 32 -3.318 13.492 -24.782 1.00 44.33 N ATOM 479 CA ASP A 32 -4.525 14.166 -25.245 1.00 50.43 C ATOM 480 C ASP A 32 -4.910 15.301 -24.301 1.00 33.32 C ATOM 481 O ASP A 32 -6.066 15.722 -24.259 1.00 72.24 O ATOM 482 CB ASP A 32 -5.679 13.169 -25.362 1.00 2.11 C ATOM 483 CG ASP A 32 -6.082 12.591 -24.020 1.00 12.03 C ATOM 484 OD1 ASP A 32 -6.583 13.357 -23.171 1.00 13.23 O ATOM 485 OD2 ASP A 32 -5.896 11.372 -23.818 1.00 0.50 O ATOM 0 H ASP A 32 -3.475 12.807 -24.042 1.00 44.33 H new ATOM 0 HA ASP A 32 -4.320 14.589 -26.228 1.00 50.43 H new ATOM 0 HB2 ASP A 32 -6.539 13.664 -25.814 1.00 2.11 H new ATOM 0 HB3 ASP A 32 -5.389 12.359 -26.031 1.00 2.11 H new ATOM 490 N SER A 33 -3.934 15.790 -23.543 1.00 12.21 N ATOM 491 CA SER A 33 -4.172 16.872 -22.595 1.00 10.50 C ATOM 492 C SER A 33 -3.366 18.112 -22.972 1.00 21.32 C ATOM 493 O SER A 33 -3.923 19.193 -23.165 1.00 25.32 O ATOM 494 CB SER A 33 -3.809 16.426 -21.177 1.00 75.03 C ATOM 495 OG SER A 33 -4.969 16.078 -20.440 1.00 64.11 O ATOM 0 H SER A 33 -2.971 15.454 -23.567 1.00 12.21 H new ATOM 0 HA SER A 33 -5.232 17.124 -22.629 1.00 10.50 H new ATOM 0 HB2 SER A 33 -3.133 15.572 -21.223 1.00 75.03 H new ATOM 0 HB3 SER A 33 -3.276 17.227 -20.665 1.00 75.03 H new ATOM 0 HG SER A 33 -4.711 15.795 -19.538 1.00 64.11 H new ATOM 501 N ARG A 34 -2.051 17.946 -23.075 1.00 33.04 N ATOM 502 CA ARG A 34 -1.167 19.050 -23.427 1.00 12.41 C ATOM 503 C ARG A 34 -1.219 20.148 -22.368 1.00 32.43 C ATOM 504 O ARG A 34 -1.882 20.002 -21.340 1.00 51.55 O ATOM 505 CB ARG A 34 -1.553 19.625 -24.791 1.00 42.12 C ATOM 506 CG ARG A 34 -1.567 18.592 -25.906 1.00 24.44 C ATOM 507 CD ARG A 34 -1.865 19.230 -27.253 1.00 71.53 C ATOM 508 NE ARG A 34 -0.646 19.617 -27.957 1.00 43.43 N ATOM 509 CZ ARG A 34 -0.595 19.856 -29.263 1.00 72.42 C ATOM 510 NH1 ARG A 34 -1.690 19.746 -30.003 1.00 40.41 N ATOM 511 NH2 ARG A 34 0.552 20.204 -29.831 1.00 41.33 N ATOM 0 H ARG A 34 -1.575 17.057 -22.920 1.00 33.04 H new ATOM 0 HA ARG A 34 -0.149 18.665 -23.477 1.00 12.41 H new ATOM 0 HB2 ARG A 34 -2.540 20.081 -24.717 1.00 42.12 H new ATOM 0 HB3 ARG A 34 -0.854 20.419 -25.052 1.00 42.12 H new ATOM 0 HG2 ARG A 34 -0.602 18.087 -25.947 1.00 24.44 H new ATOM 0 HG3 ARG A 34 -2.317 17.831 -25.689 1.00 24.44 H new ATOM 0 HD2 ARG A 34 -2.432 18.531 -27.868 1.00 71.53 H new ATOM 0 HD3 ARG A 34 -2.494 20.108 -27.107 1.00 71.53 H new ATOM 0 HE ARG A 34 0.214 19.709 -27.416 1.00 43.43 H new ATOM 0 HH11 ARG A 34 -2.573 19.478 -29.570 1.00 40.41 H new ATOM 0 HH12 ARG A 34 -1.649 19.930 -31.005 1.00 40.41 H new ATOM 0 HH21 ARG A 34 1.396 20.288 -29.265 1.00 41.33 H new ATOM 0 HH22 ARG A 34 0.590 20.387 -30.834 1.00 41.33 H new ATOM 525 N PHE A 35 -0.515 21.245 -22.625 1.00 30.11 N ATOM 526 CA PHE A 35 -0.479 22.366 -21.693 1.00 55.23 C ATOM 527 C PHE A 35 -1.854 23.019 -21.575 1.00 45.25 C ATOM 528 O PHE A 35 -2.202 23.576 -20.534 1.00 63.30 O ATOM 529 CB PHE A 35 0.552 23.401 -22.147 1.00 2.10 C ATOM 530 CG PHE A 35 1.939 22.842 -22.291 1.00 73.13 C ATOM 531 CD1 PHE A 35 2.564 22.219 -21.223 1.00 14.33 C ATOM 532 CD2 PHE A 35 2.617 22.938 -23.496 1.00 10.14 C ATOM 533 CE1 PHE A 35 3.840 21.705 -21.353 1.00 34.32 C ATOM 534 CE2 PHE A 35 3.893 22.425 -23.632 1.00 22.12 C ATOM 535 CZ PHE A 35 4.505 21.806 -22.559 1.00 52.40 C ATOM 0 H PHE A 35 0.038 21.382 -23.471 1.00 30.11 H new ATOM 0 HA PHE A 35 -0.192 21.983 -20.714 1.00 55.23 H new ATOM 0 HB2 PHE A 35 0.237 23.821 -23.102 1.00 2.10 H new ATOM 0 HB3 PHE A 35 0.572 24.221 -21.429 1.00 2.10 H new ATOM 0 HD1 PHE A 35 2.048 22.134 -20.278 1.00 14.33 H new ATOM 0 HD2 PHE A 35 2.143 23.419 -24.338 1.00 10.14 H new ATOM 0 HE1 PHE A 35 4.317 21.224 -20.512 1.00 34.32 H new ATOM 0 HE2 PHE A 35 4.411 22.508 -24.576 1.00 22.12 H new ATOM 0 HZ PHE A 35 5.501 21.402 -22.663 1.00 52.40 H new ATOM 545 N VAL A 36 -2.631 22.947 -22.652 1.00 5.43 N ATOM 546 CA VAL A 36 -3.967 23.530 -22.670 1.00 43.42 C ATOM 547 C VAL A 36 -4.860 22.890 -21.614 1.00 12.44 C ATOM 548 O VAL A 36 -5.520 23.585 -20.842 1.00 13.30 O ATOM 549 CB VAL A 36 -4.629 23.372 -24.052 1.00 33.34 C ATOM 550 CG1 VAL A 36 -4.002 24.325 -25.058 1.00 22.44 C ATOM 551 CG2 VAL A 36 -4.523 21.932 -24.531 1.00 31.23 C ATOM 0 H VAL A 36 -2.358 22.491 -23.522 1.00 5.43 H new ATOM 0 HA VAL A 36 -3.853 24.591 -22.449 1.00 43.42 H new ATOM 0 HB VAL A 36 -5.685 23.624 -23.960 1.00 33.34 H new ATOM 0 HG11 VAL A 36 -4.483 24.198 -26.028 1.00 22.44 H new ATOM 0 HG12 VAL A 36 -4.135 25.352 -24.718 1.00 22.44 H new ATOM 0 HG13 VAL A 36 -2.938 24.109 -25.150 1.00 22.44 H new ATOM 0 HG21 VAL A 36 -4.996 21.838 -25.509 1.00 31.23 H new ATOM 0 HG22 VAL A 36 -3.473 21.650 -24.607 1.00 31.23 H new ATOM 0 HG23 VAL A 36 -5.025 21.274 -23.821 1.00 31.23 H new ATOM 561 N GLU A 37 -4.875 21.561 -21.585 1.00 52.42 N ATOM 562 CA GLU A 37 -5.689 20.828 -20.623 1.00 24.23 C ATOM 563 C GLU A 37 -4.959 20.686 -19.290 1.00 62.41 C ATOM 564 O GLU A 37 -5.465 21.097 -18.246 1.00 0.11 O ATOM 565 CB GLU A 37 -6.045 19.445 -21.172 1.00 23.33 C ATOM 566 CG GLU A 37 -6.750 19.487 -22.517 1.00 21.11 C ATOM 567 CD GLU A 37 -8.043 20.278 -22.473 1.00 70.43 C ATOM 568 OE1 GLU A 37 -8.807 20.111 -21.499 1.00 61.23 O ATOM 569 OE2 GLU A 37 -8.291 21.062 -23.412 1.00 53.32 O ATOM 0 H GLU A 37 -4.333 20.971 -22.216 1.00 52.42 H new ATOM 0 HA GLU A 37 -6.607 21.392 -20.457 1.00 24.23 H new ATOM 0 HB2 GLU A 37 -5.133 18.856 -21.268 1.00 23.33 H new ATOM 0 HB3 GLU A 37 -6.683 18.931 -20.453 1.00 23.33 H new ATOM 0 HG2 GLU A 37 -6.084 19.928 -23.259 1.00 21.11 H new ATOM 0 HG3 GLU A 37 -6.962 18.469 -22.844 1.00 21.11 H new ATOM 576 N ASP A 38 -3.767 20.100 -19.335 1.00 13.04 N ATOM 577 CA ASP A 38 -2.967 19.903 -18.132 1.00 4.33 C ATOM 578 C ASP A 38 -2.698 21.233 -17.434 1.00 42.23 C ATOM 579 O ASP A 38 -2.982 21.392 -16.246 1.00 51.24 O ATOM 580 CB ASP A 38 -1.644 19.219 -18.480 1.00 44.41 C ATOM 581 CG ASP A 38 -0.854 18.824 -17.248 1.00 10.23 C ATOM 582 OD1 ASP A 38 -0.525 19.719 -16.441 1.00 50.41 O ATOM 583 OD2 ASP A 38 -0.566 17.620 -17.089 1.00 61.33 O ATOM 0 H ASP A 38 -3.334 19.754 -20.191 1.00 13.04 H new ATOM 0 HA ASP A 38 -3.530 19.264 -17.452 1.00 4.33 H new ATOM 0 HB2 ASP A 38 -1.844 18.331 -19.080 1.00 44.41 H new ATOM 0 HB3 ASP A 38 -1.043 19.889 -19.094 1.00 44.41 H new ATOM 588 N LEU A 39 -2.148 22.185 -18.180 1.00 4.45 N ATOM 589 CA LEU A 39 -1.839 23.502 -17.633 1.00 10.31 C ATOM 590 C LEU A 39 -2.964 24.491 -17.925 1.00 65.55 C ATOM 591 O LEU A 39 -3.911 24.173 -18.643 1.00 31.23 O ATOM 592 CB LEU A 39 -0.523 24.022 -18.215 1.00 14.31 C ATOM 593 CG LEU A 39 0.707 23.890 -17.316 1.00 73.14 C ATOM 594 CD1 LEU A 39 1.981 23.939 -18.145 1.00 51.52 C ATOM 595 CD2 LEU A 39 0.714 24.983 -16.258 1.00 1.12 C ATOM 0 H LEU A 39 -1.907 22.070 -19.164 1.00 4.45 H new ATOM 0 HA LEU A 39 -1.738 23.405 -16.552 1.00 10.31 H new ATOM 0 HB2 LEU A 39 -0.326 23.491 -19.147 1.00 14.31 H new ATOM 0 HB3 LEU A 39 -0.652 25.074 -18.469 1.00 14.31 H new ATOM 0 HG LEU A 39 0.663 22.925 -16.812 1.00 73.14 H new ATOM 0 HD11 LEU A 39 2.846 23.844 -17.489 1.00 51.52 H new ATOM 0 HD12 LEU A 39 1.979 23.120 -18.864 1.00 51.52 H new ATOM 0 HD13 LEU A 39 2.032 24.889 -18.677 1.00 51.52 H new ATOM 0 HD21 LEU A 39 1.596 24.873 -15.627 1.00 1.12 H new ATOM 0 HD22 LEU A 39 0.734 25.959 -16.743 1.00 1.12 H new ATOM 0 HD23 LEU A 39 -0.183 24.901 -15.644 1.00 1.12 H new ATOM 607 N ASN A 40 -2.850 25.691 -17.367 1.00 23.05 N ATOM 608 CA ASN A 40 -3.856 26.727 -17.569 1.00 32.21 C ATOM 609 C ASN A 40 -3.330 27.824 -18.489 1.00 72.15 C ATOM 610 O ASN A 40 -3.487 29.012 -18.209 1.00 31.21 O ATOM 611 CB ASN A 40 -4.275 27.329 -16.226 1.00 50.43 C ATOM 612 CG ASN A 40 -5.523 28.183 -16.340 1.00 51.31 C ATOM 613 OD1 ASN A 40 -5.542 29.335 -15.906 1.00 35.04 O ATOM 614 ND2 ASN A 40 -6.573 27.621 -16.926 1.00 73.44 N ATOM 0 H ASN A 40 -2.071 25.970 -16.771 1.00 23.05 H new ATOM 0 HA ASN A 40 -4.725 26.268 -18.041 1.00 32.21 H new ATOM 0 HB2 ASN A 40 -4.451 26.526 -15.510 1.00 50.43 H new ATOM 0 HB3 ASN A 40 -3.459 27.934 -15.832 1.00 50.43 H new ATOM 0 HD21 ASN A 40 -7.441 28.147 -17.031 1.00 73.44 H new ATOM 0 HD22 ASN A 40 -6.512 26.663 -17.271 1.00 73.44 H new ATOM 621 N ALA A 41 -2.706 27.417 -19.590 1.00 20.42 N ATOM 622 CA ALA A 41 -2.159 28.364 -20.553 1.00 53.20 C ATOM 623 C ALA A 41 -1.797 27.670 -21.861 1.00 71.34 C ATOM 624 O ALA A 41 -2.020 26.469 -22.021 1.00 11.45 O ATOM 625 CB ALA A 41 -0.941 29.065 -19.971 1.00 0.24 C ATOM 0 H ALA A 41 -2.567 26.437 -19.837 1.00 20.42 H new ATOM 0 HA ALA A 41 -2.925 29.109 -20.767 1.00 53.20 H new ATOM 0 HB1 ALA A 41 -0.543 29.769 -20.701 1.00 0.24 H new ATOM 0 HB2 ALA A 41 -1.228 29.603 -19.067 1.00 0.24 H new ATOM 0 HB3 ALA A 41 -0.178 28.326 -19.727 1.00 0.24 H new ATOM 631 N ASP A 42 -1.239 28.432 -22.795 1.00 65.42 N ATOM 632 CA ASP A 42 -0.845 27.889 -24.090 1.00 71.04 C ATOM 633 C ASP A 42 0.673 27.774 -24.193 1.00 34.31 C ATOM 634 O ASP A 42 1.404 28.320 -23.367 1.00 12.00 O ATOM 635 CB ASP A 42 -1.380 28.770 -25.220 1.00 45.52 C ATOM 636 CG ASP A 42 -1.184 30.248 -24.944 1.00 2.23 C ATOM 637 OD1 ASP A 42 -0.254 30.592 -24.183 1.00 74.13 O ATOM 638 OD2 ASP A 42 -1.959 31.061 -25.488 1.00 55.13 O ATOM 0 H ASP A 42 -1.049 29.428 -22.680 1.00 65.42 H new ATOM 0 HA ASP A 42 -1.274 26.891 -24.183 1.00 71.04 H new ATOM 0 HB2 ASP A 42 -0.877 28.507 -26.151 1.00 45.52 H new ATOM 0 HB3 ASP A 42 -2.441 28.568 -25.363 1.00 45.52 H new ATOM 643 N SER A 43 1.139 27.058 -25.211 1.00 42.34 N ATOM 644 CA SER A 43 2.570 26.867 -25.419 1.00 52.02 C ATOM 645 C SER A 43 3.299 28.207 -25.444 1.00 21.23 C ATOM 646 O SER A 43 4.499 28.279 -25.173 1.00 14.34 O ATOM 647 CB SER A 43 2.820 26.113 -26.727 1.00 4.14 C ATOM 648 OG SER A 43 2.789 26.993 -27.837 1.00 0.12 O ATOM 0 H SER A 43 0.547 26.601 -25.904 1.00 42.34 H new ATOM 0 HA SER A 43 2.958 26.278 -24.588 1.00 52.02 H new ATOM 0 HB2 SER A 43 3.787 25.613 -26.683 1.00 4.14 H new ATOM 0 HB3 SER A 43 2.065 25.337 -26.853 1.00 4.14 H new ATOM 0 HG SER A 43 2.953 26.487 -28.660 1.00 0.12 H new ATOM 654 N LEU A 44 2.567 29.266 -25.770 1.00 72.25 N ATOM 655 CA LEU A 44 3.142 30.605 -25.831 1.00 23.00 C ATOM 656 C LEU A 44 3.903 30.929 -24.549 1.00 64.14 C ATOM 657 O LEU A 44 5.057 31.356 -24.592 1.00 24.10 O ATOM 658 CB LEU A 44 2.043 31.644 -26.061 1.00 64.25 C ATOM 659 CG LEU A 44 1.040 31.325 -27.170 1.00 60.33 C ATOM 660 CD1 LEU A 44 0.077 32.485 -27.369 1.00 45.14 C ATOM 661 CD2 LEU A 44 1.765 31.002 -28.469 1.00 31.22 C ATOM 0 H LEU A 44 1.573 29.223 -25.996 1.00 72.25 H new ATOM 0 HA LEU A 44 3.842 30.635 -26.666 1.00 23.00 H new ATOM 0 HB2 LEU A 44 1.494 31.775 -25.129 1.00 64.25 H new ATOM 0 HB3 LEU A 44 2.516 32.599 -26.290 1.00 64.25 H new ATOM 0 HG LEU A 44 0.464 30.449 -26.871 1.00 60.33 H new ATOM 0 HD11 LEU A 44 -0.629 32.240 -28.162 1.00 45.14 H new ATOM 0 HD12 LEU A 44 -0.467 32.669 -26.443 1.00 45.14 H new ATOM 0 HD13 LEU A 44 0.636 33.379 -27.645 1.00 45.14 H new ATOM 0 HD21 LEU A 44 1.035 30.778 -29.247 1.00 31.22 H new ATOM 0 HD22 LEU A 44 2.367 31.859 -28.772 1.00 31.22 H new ATOM 0 HD23 LEU A 44 2.413 30.138 -28.319 1.00 31.22 H new ATOM 673 N ASP A 45 3.251 30.721 -23.411 1.00 55.23 N ATOM 674 CA ASP A 45 3.867 30.988 -22.117 1.00 33.13 C ATOM 675 C ASP A 45 4.792 29.846 -21.710 1.00 23.32 C ATOM 676 O ASP A 45 5.718 30.035 -20.920 1.00 12.30 O ATOM 677 CB ASP A 45 2.791 31.194 -21.049 1.00 2.40 C ATOM 678 CG ASP A 45 2.476 32.660 -20.821 1.00 32.43 C ATOM 679 OD1 ASP A 45 2.396 33.411 -21.815 1.00 32.32 O ATOM 680 OD2 ASP A 45 2.310 33.055 -19.648 1.00 10.44 O ATOM 0 H ASP A 45 2.295 30.368 -23.358 1.00 55.23 H new ATOM 0 HA ASP A 45 4.460 31.898 -22.205 1.00 33.13 H new ATOM 0 HB2 ASP A 45 1.882 30.672 -21.348 1.00 2.40 H new ATOM 0 HB3 ASP A 45 3.122 30.746 -20.112 1.00 2.40 H new ATOM 685 N ILE A 46 4.536 28.661 -22.253 1.00 74.33 N ATOM 686 CA ILE A 46 5.346 27.488 -21.947 1.00 12.55 C ATOM 687 C ILE A 46 6.733 27.600 -22.570 1.00 52.51 C ATOM 688 O ILE A 46 7.700 27.030 -22.065 1.00 71.42 O ATOM 689 CB ILE A 46 4.675 26.194 -22.444 1.00 13.53 C ATOM 690 CG1 ILE A 46 3.252 26.086 -21.890 1.00 44.40 C ATOM 691 CG2 ILE A 46 5.500 24.981 -22.040 1.00 55.45 C ATOM 692 CD1 ILE A 46 3.201 25.894 -20.391 1.00 32.15 C ATOM 0 H ILE A 46 3.773 28.487 -22.908 1.00 74.33 H new ATOM 0 HA ILE A 46 5.440 27.444 -20.862 1.00 12.55 H new ATOM 0 HB ILE A 46 4.620 26.225 -23.532 1.00 13.53 H new ATOM 0 HG12 ILE A 46 2.699 26.988 -22.152 1.00 44.40 H new ATOM 0 HG13 ILE A 46 2.745 25.250 -22.373 1.00 44.40 H new ATOM 0 HG21 ILE A 46 5.013 24.074 -22.398 1.00 55.45 H new ATOM 0 HG22 ILE A 46 6.495 25.056 -22.478 1.00 55.45 H new ATOM 0 HG23 ILE A 46 5.583 24.943 -20.954 1.00 55.45 H new ATOM 0 HD11 ILE A 46 2.162 25.826 -20.068 1.00 32.15 H new ATOM 0 HD12 ILE A 46 3.725 24.977 -20.124 1.00 32.15 H new ATOM 0 HD13 ILE A 46 3.679 26.741 -19.899 1.00 32.15 H new ATOM 704 N TYR A 47 6.823 28.341 -23.669 1.00 62.01 N ATOM 705 CA TYR A 47 8.092 28.528 -24.363 1.00 20.04 C ATOM 706 C TYR A 47 9.190 28.943 -23.388 1.00 13.03 C ATOM 707 O TYR A 47 10.308 28.433 -23.443 1.00 3.33 O ATOM 708 CB TYR A 47 7.946 29.581 -25.462 1.00 50.40 C ATOM 709 CG TYR A 47 9.238 29.883 -26.187 1.00 1.32 C ATOM 710 CD1 TYR A 47 10.148 30.800 -25.674 1.00 73.12 C ATOM 711 CD2 TYR A 47 9.550 29.251 -27.384 1.00 72.13 C ATOM 712 CE1 TYR A 47 11.329 31.079 -26.334 1.00 11.24 C ATOM 713 CE2 TYR A 47 10.729 29.523 -28.050 1.00 24.02 C ATOM 714 CZ TYR A 47 11.615 30.438 -27.521 1.00 4.12 C ATOM 715 OH TYR A 47 12.792 30.713 -28.180 1.00 32.41 O ATOM 0 H TYR A 47 6.033 28.822 -24.098 1.00 62.01 H new ATOM 0 HA TYR A 47 8.373 27.577 -24.815 1.00 20.04 H new ATOM 0 HB2 TYR A 47 7.205 29.239 -26.185 1.00 50.40 H new ATOM 0 HB3 TYR A 47 7.562 30.502 -25.023 1.00 50.40 H new ATOM 0 HD1 TYR A 47 9.928 31.303 -24.744 1.00 73.12 H new ATOM 0 HD2 TYR A 47 8.858 28.534 -27.801 1.00 72.13 H new ATOM 0 HE1 TYR A 47 12.025 31.795 -25.923 1.00 11.24 H new ATOM 0 HE2 TYR A 47 10.956 29.022 -28.980 1.00 24.02 H new ATOM 0 HH TYR A 47 12.841 30.177 -28.999 1.00 32.41 H new ATOM 725 N GLU A 48 8.860 29.872 -22.496 1.00 33.35 N ATOM 726 CA GLU A 48 9.817 30.356 -21.508 1.00 61.20 C ATOM 727 C GLU A 48 10.071 29.302 -20.434 1.00 32.01 C ATOM 728 O GLU A 48 11.199 29.132 -19.968 1.00 55.35 O ATOM 729 CB GLU A 48 9.309 31.646 -20.862 1.00 13.31 C ATOM 730 CG GLU A 48 9.405 32.861 -21.770 1.00 70.41 C ATOM 731 CD GLU A 48 8.507 33.997 -21.322 1.00 11.23 C ATOM 732 OE1 GLU A 48 7.302 33.966 -21.648 1.00 41.41 O ATOM 733 OE2 GLU A 48 9.010 34.918 -20.644 1.00 31.44 O ATOM 0 H GLU A 48 7.938 30.304 -22.437 1.00 33.35 H new ATOM 0 HA GLU A 48 10.757 30.561 -22.021 1.00 61.20 H new ATOM 0 HB2 GLU A 48 8.270 31.508 -20.563 1.00 13.31 H new ATOM 0 HB3 GLU A 48 9.880 31.836 -19.953 1.00 13.31 H new ATOM 0 HG2 GLU A 48 10.438 33.209 -21.797 1.00 70.41 H new ATOM 0 HG3 GLU A 48 9.139 32.572 -22.787 1.00 70.41 H new ATOM 740 N LEU A 49 9.014 28.597 -20.044 1.00 65.03 N ATOM 741 CA LEU A 49 9.121 27.559 -19.024 1.00 50.34 C ATOM 742 C LEU A 49 10.210 26.553 -19.383 1.00 0.32 C ATOM 743 O LEU A 49 11.181 26.384 -18.644 1.00 44.25 O ATOM 744 CB LEU A 49 7.781 26.840 -18.858 1.00 41.35 C ATOM 745 CG LEU A 49 7.751 25.704 -17.835 1.00 41.43 C ATOM 746 CD1 LEU A 49 7.432 26.243 -16.449 1.00 70.33 C ATOM 747 CD2 LEU A 49 6.738 24.645 -18.244 1.00 63.22 C ATOM 0 H LEU A 49 8.074 28.725 -20.418 1.00 65.03 H new ATOM 0 HA LEU A 49 9.390 28.036 -18.082 1.00 50.34 H new ATOM 0 HB2 LEU A 49 7.029 27.577 -18.575 1.00 41.35 H new ATOM 0 HB3 LEU A 49 7.485 26.438 -19.827 1.00 41.35 H new ATOM 0 HG LEU A 49 8.738 25.241 -17.804 1.00 41.43 H new ATOM 0 HD11 LEU A 49 7.415 25.421 -15.734 1.00 70.33 H new ATOM 0 HD12 LEU A 49 8.195 26.964 -16.155 1.00 70.33 H new ATOM 0 HD13 LEU A 49 6.458 26.731 -16.464 1.00 70.33 H new ATOM 0 HD21 LEU A 49 6.730 23.844 -17.505 1.00 63.22 H new ATOM 0 HD22 LEU A 49 5.746 25.094 -18.304 1.00 63.22 H new ATOM 0 HD23 LEU A 49 7.011 24.237 -19.217 1.00 63.22 H new ATOM 759 N LEU A 50 10.043 25.889 -20.521 1.00 41.21 N ATOM 760 CA LEU A 50 11.013 24.901 -20.980 1.00 22.23 C ATOM 761 C LEU A 50 12.350 25.560 -21.303 1.00 25.42 C ATOM 762 O LEU A 50 13.409 25.056 -20.926 1.00 1.44 O ATOM 763 CB LEU A 50 10.481 24.169 -22.213 1.00 21.00 C ATOM 764 CG LEU A 50 9.817 25.043 -23.278 1.00 22.13 C ATOM 765 CD1 LEU A 50 10.593 24.975 -24.584 1.00 30.11 C ATOM 766 CD2 LEU A 50 8.372 24.618 -23.491 1.00 14.10 C ATOM 0 H LEU A 50 9.245 26.017 -21.143 1.00 41.21 H new ATOM 0 HA LEU A 50 11.169 24.181 -20.177 1.00 22.23 H new ATOM 0 HB2 LEU A 50 11.308 23.631 -22.677 1.00 21.00 H new ATOM 0 HB3 LEU A 50 9.760 23.421 -21.884 1.00 21.00 H new ATOM 0 HG LEU A 50 9.823 26.076 -22.929 1.00 22.13 H new ATOM 0 HD11 LEU A 50 10.106 25.603 -25.330 1.00 30.11 H new ATOM 0 HD12 LEU A 50 11.611 25.329 -24.421 1.00 30.11 H new ATOM 0 HD13 LEU A 50 10.619 23.945 -24.938 1.00 30.11 H new ATOM 0 HD21 LEU A 50 7.915 25.251 -24.252 1.00 14.10 H new ATOM 0 HD22 LEU A 50 8.343 23.579 -23.818 1.00 14.10 H new ATOM 0 HD23 LEU A 50 7.821 24.720 -22.556 1.00 14.10 H new ATOM 778 N TYR A 51 12.295 26.688 -22.001 1.00 15.21 N ATOM 779 CA TYR A 51 13.501 27.416 -22.375 1.00 2.21 C ATOM 780 C TYR A 51 14.401 27.639 -21.163 1.00 14.21 C ATOM 781 O TYR A 51 15.601 27.366 -21.207 1.00 10.33 O ATOM 782 CB TYR A 51 13.136 28.760 -23.007 1.00 51.31 C ATOM 783 CG TYR A 51 14.288 29.738 -23.059 1.00 10.22 C ATOM 784 CD1 TYR A 51 15.550 29.333 -23.475 1.00 43.23 C ATOM 785 CD2 TYR A 51 14.115 31.066 -22.690 1.00 52.53 C ATOM 786 CE1 TYR A 51 16.606 30.223 -23.523 1.00 61.25 C ATOM 787 CE2 TYR A 51 15.164 31.963 -22.737 1.00 4.32 C ATOM 788 CZ TYR A 51 16.408 31.537 -23.154 1.00 20.23 C ATOM 789 OH TYR A 51 17.457 32.427 -23.200 1.00 75.20 O ATOM 0 H TYR A 51 11.427 27.119 -22.320 1.00 15.21 H new ATOM 0 HA TYR A 51 14.045 26.815 -23.104 1.00 2.21 H new ATOM 0 HB2 TYR A 51 12.770 28.588 -24.019 1.00 51.31 H new ATOM 0 HB3 TYR A 51 12.317 29.206 -22.443 1.00 51.31 H new ATOM 0 HD1 TYR A 51 15.709 28.305 -23.766 1.00 43.23 H new ATOM 0 HD2 TYR A 51 13.143 31.403 -22.361 1.00 52.53 H new ATOM 0 HE1 TYR A 51 17.581 29.891 -23.848 1.00 61.25 H new ATOM 0 HE2 TYR A 51 15.011 32.993 -22.449 1.00 4.32 H new ATOM 0 HH TYR A 51 17.149 33.311 -22.909 1.00 75.20 H new ATOM 799 N LEU A 52 13.812 28.137 -20.081 1.00 75.41 N ATOM 800 CA LEU A 52 14.558 28.397 -18.855 1.00 34.52 C ATOM 801 C LEU A 52 14.983 27.092 -18.189 1.00 60.43 C ATOM 802 O LEU A 52 16.002 27.037 -17.500 1.00 2.34 O ATOM 803 CB LEU A 52 13.712 29.225 -17.886 1.00 31.53 C ATOM 804 CG LEU A 52 13.899 30.740 -17.959 1.00 14.44 C ATOM 805 CD1 LEU A 52 13.471 31.266 -19.320 1.00 13.10 C ATOM 806 CD2 LEU A 52 13.116 31.428 -16.849 1.00 50.03 C ATOM 0 H LEU A 52 12.820 28.369 -20.028 1.00 75.41 H new ATOM 0 HA LEU A 52 15.455 28.959 -19.117 1.00 34.52 H new ATOM 0 HB2 LEU A 52 12.661 28.999 -18.068 1.00 31.53 H new ATOM 0 HB3 LEU A 52 13.936 28.900 -16.870 1.00 31.53 H new ATOM 0 HG LEU A 52 14.957 30.963 -17.823 1.00 14.44 H new ATOM 0 HD11 LEU A 52 13.611 32.346 -19.353 1.00 13.10 H new ATOM 0 HD12 LEU A 52 14.075 30.798 -20.097 1.00 13.10 H new ATOM 0 HD13 LEU A 52 12.420 31.031 -19.487 1.00 13.10 H new ATOM 0 HD21 LEU A 52 13.261 32.506 -16.916 1.00 50.03 H new ATOM 0 HD22 LEU A 52 12.056 31.197 -16.954 1.00 50.03 H new ATOM 0 HD23 LEU A 52 13.470 31.074 -15.881 1.00 50.03 H new ATOM 818 N LEU A 53 14.197 26.042 -18.402 1.00 24.31 N ATOM 819 CA LEU A 53 14.494 24.735 -17.825 1.00 14.15 C ATOM 820 C LEU A 53 15.757 24.141 -18.440 1.00 54.50 C ATOM 821 O LEU A 53 16.477 23.383 -17.792 1.00 15.05 O ATOM 822 CB LEU A 53 13.314 23.784 -18.035 1.00 24.34 C ATOM 823 CG LEU A 53 12.419 23.545 -16.818 1.00 41.51 C ATOM 824 CD1 LEU A 53 12.086 24.862 -16.134 1.00 43.43 C ATOM 825 CD2 LEU A 53 11.147 22.818 -17.227 1.00 34.13 C ATOM 0 H LEU A 53 13.350 26.070 -18.969 1.00 24.31 H new ATOM 0 HA LEU A 53 14.662 24.867 -16.756 1.00 14.15 H new ATOM 0 HB2 LEU A 53 12.697 24.176 -18.843 1.00 24.34 H new ATOM 0 HB3 LEU A 53 13.703 22.822 -18.369 1.00 24.34 H new ATOM 0 HG LEU A 53 12.960 22.918 -16.110 1.00 41.51 H new ATOM 0 HD11 LEU A 53 11.449 24.672 -15.270 1.00 43.43 H new ATOM 0 HD12 LEU A 53 13.007 25.345 -15.806 1.00 43.43 H new ATOM 0 HD13 LEU A 53 11.564 25.514 -16.834 1.00 43.43 H new ATOM 0 HD21 LEU A 53 10.522 22.656 -16.349 1.00 34.13 H new ATOM 0 HD22 LEU A 53 10.602 23.420 -17.954 1.00 34.13 H new ATOM 0 HD23 LEU A 53 11.404 21.856 -17.671 1.00 34.13 H new ATOM 837 N GLU A 54 16.020 24.494 -19.695 1.00 14.15 N ATOM 838 CA GLU A 54 17.197 23.997 -20.396 1.00 60.43 C ATOM 839 C GLU A 54 18.456 24.198 -19.558 1.00 11.14 C ATOM 840 O GLU A 54 19.229 23.265 -19.348 1.00 25.45 O ATOM 841 CB GLU A 54 17.351 24.703 -21.745 1.00 11.12 C ATOM 842 CG GLU A 54 16.193 24.456 -22.697 1.00 61.42 C ATOM 843 CD GLU A 54 16.156 25.450 -23.841 1.00 52.31 C ATOM 844 OE1 GLU A 54 17.077 26.288 -23.929 1.00 41.55 O ATOM 845 OE2 GLU A 54 15.205 25.390 -24.648 1.00 74.22 O ATOM 0 H GLU A 54 15.434 25.122 -20.246 1.00 14.15 H new ATOM 0 HA GLU A 54 17.062 22.929 -20.566 1.00 60.43 H new ATOM 0 HB2 GLU A 54 17.448 25.775 -21.575 1.00 11.12 H new ATOM 0 HB3 GLU A 54 18.275 24.370 -22.217 1.00 11.12 H new ATOM 0 HG2 GLU A 54 16.268 23.446 -23.100 1.00 61.42 H new ATOM 0 HG3 GLU A 54 15.255 24.509 -22.144 1.00 61.42 H new ATOM 852 N GLU A 55 18.653 25.424 -19.082 1.00 62.30 N ATOM 853 CA GLU A 55 19.819 25.748 -18.268 1.00 15.03 C ATOM 854 C GLU A 55 19.732 25.075 -16.901 1.00 73.41 C ATOM 855 O GLU A 55 20.743 24.659 -16.337 1.00 62.51 O ATOM 856 CB GLU A 55 19.942 27.263 -18.095 1.00 10.31 C ATOM 857 CG GLU A 55 21.059 27.679 -17.153 1.00 43.50 C ATOM 858 CD GLU A 55 21.548 29.091 -17.416 1.00 23.45 C ATOM 859 OE1 GLU A 55 22.185 29.311 -18.467 1.00 62.01 O ATOM 860 OE2 GLU A 55 21.295 29.974 -16.570 1.00 72.12 O ATOM 0 H GLU A 55 18.021 26.208 -19.246 1.00 62.30 H new ATOM 0 HA GLU A 55 20.705 25.375 -18.782 1.00 15.03 H new ATOM 0 HB2 GLU A 55 20.112 27.719 -19.070 1.00 10.31 H new ATOM 0 HB3 GLU A 55 18.997 27.655 -17.720 1.00 10.31 H new ATOM 0 HG2 GLU A 55 20.708 27.606 -16.124 1.00 43.50 H new ATOM 0 HG3 GLU A 55 21.893 26.985 -17.255 1.00 43.50 H new ATOM 867 N ALA A 56 18.516 24.972 -16.375 1.00 33.02 N ATOM 868 CA ALA A 56 18.296 24.348 -15.076 1.00 13.42 C ATOM 869 C ALA A 56 18.768 22.898 -15.076 1.00 14.41 C ATOM 870 O ALA A 56 19.020 22.317 -14.020 1.00 42.13 O ATOM 871 CB ALA A 56 16.825 24.427 -14.695 1.00 73.21 C ATOM 0 H ALA A 56 17.668 25.313 -16.828 1.00 33.02 H new ATOM 0 HA ALA A 56 18.881 24.893 -14.335 1.00 13.42 H new ATOM 0 HB1 ALA A 56 16.675 23.957 -13.723 1.00 73.21 H new ATOM 0 HB2 ALA A 56 16.518 25.472 -14.644 1.00 73.21 H new ATOM 0 HB3 ALA A 56 16.227 23.909 -15.444 1.00 73.21 H new ATOM 877 N PHE A 57 18.884 22.319 -16.266 1.00 71.11 N ATOM 878 CA PHE A 57 19.324 20.935 -16.403 1.00 51.42 C ATOM 879 C PHE A 57 20.544 20.841 -17.314 1.00 64.41 C ATOM 880 O PHE A 57 21.017 19.747 -17.624 1.00 45.12 O ATOM 881 CB PHE A 57 18.191 20.070 -16.958 1.00 53.13 C ATOM 882 CG PHE A 57 16.852 20.372 -16.348 1.00 30.44 C ATOM 883 CD1 PHE A 57 16.706 20.453 -14.972 1.00 52.02 C ATOM 884 CD2 PHE A 57 15.740 20.574 -17.149 1.00 11.01 C ATOM 885 CE1 PHE A 57 15.475 20.729 -14.408 1.00 11.52 C ATOM 886 CE2 PHE A 57 14.506 20.851 -16.590 1.00 44.32 C ATOM 887 CZ PHE A 57 14.374 20.930 -15.218 1.00 1.13 C ATOM 0 H PHE A 57 18.680 22.786 -17.149 1.00 71.11 H new ATOM 0 HA PHE A 57 19.601 20.568 -15.415 1.00 51.42 H new ATOM 0 HB2 PHE A 57 18.130 20.213 -18.037 1.00 53.13 H new ATOM 0 HB3 PHE A 57 18.430 19.020 -16.789 1.00 53.13 H new ATOM 0 HD1 PHE A 57 17.564 20.299 -14.334 1.00 52.02 H new ATOM 0 HD2 PHE A 57 15.838 20.514 -18.223 1.00 11.01 H new ATOM 0 HE1 PHE A 57 15.374 20.788 -13.334 1.00 11.52 H new ATOM 0 HE2 PHE A 57 13.647 21.005 -17.226 1.00 44.32 H new ATOM 0 HZ PHE A 57 13.412 21.149 -14.779 1.00 1.13 H new ATOM 897 N ASP A 58 21.048 21.994 -17.739 1.00 65.34 N ATOM 898 CA ASP A 58 22.214 22.042 -18.614 1.00 41.25 C ATOM 899 C ASP A 58 22.020 21.139 -19.828 1.00 62.14 C ATOM 900 O ASP A 58 22.846 20.269 -20.105 1.00 71.42 O ATOM 901 CB ASP A 58 23.471 21.626 -17.849 1.00 31.32 C ATOM 902 CG ASP A 58 23.691 22.457 -16.600 1.00 55.44 C ATOM 903 OD1 ASP A 58 23.916 23.678 -16.733 1.00 42.25 O ATOM 904 OD2 ASP A 58 23.638 21.887 -15.490 1.00 55.33 O ATOM 0 H ASP A 58 20.668 22.908 -17.492 1.00 65.34 H new ATOM 0 HA ASP A 58 22.334 23.068 -18.962 1.00 41.25 H new ATOM 0 HB2 ASP A 58 23.393 20.574 -17.573 1.00 31.32 H new ATOM 0 HB3 ASP A 58 24.338 21.721 -18.502 1.00 31.32 H new ATOM 909 N ASP A 59 20.924 21.351 -20.548 1.00 40.11 N ATOM 910 CA ASP A 59 20.621 20.556 -21.733 1.00 3.14 C ATOM 911 C ASP A 59 19.540 21.226 -22.575 1.00 34.34 C ATOM 912 O ASP A 59 18.604 21.823 -22.042 1.00 41.32 O ATOM 913 CB ASP A 59 20.174 19.150 -21.329 1.00 14.51 C ATOM 914 CG ASP A 59 21.009 18.067 -21.982 1.00 22.12 C ATOM 915 OD1 ASP A 59 21.533 18.308 -23.090 1.00 31.21 O ATOM 916 OD2 ASP A 59 21.140 16.978 -21.384 1.00 41.43 O ATOM 0 H ASP A 59 20.230 22.067 -20.332 1.00 40.11 H new ATOM 0 HA ASP A 59 21.528 20.482 -22.333 1.00 3.14 H new ATOM 0 HB2 ASP A 59 20.237 19.049 -20.245 1.00 14.51 H new ATOM 0 HB3 ASP A 59 19.128 19.012 -21.602 1.00 14.51 H new ATOM 921 N LYS A 60 19.674 21.123 -23.892 1.00 65.34 N ATOM 922 CA LYS A 60 18.710 21.718 -24.810 1.00 35.55 C ATOM 923 C LYS A 60 17.372 20.987 -24.741 1.00 0.42 C ATOM 924 O LYS A 60 17.328 19.764 -24.604 1.00 4.54 O ATOM 925 CB LYS A 60 19.248 21.684 -26.242 1.00 21.34 C ATOM 926 CG LYS A 60 19.928 22.974 -26.666 1.00 62.33 C ATOM 927 CD LYS A 60 21.271 22.706 -27.324 1.00 63.43 C ATOM 928 CE LYS A 60 21.623 23.787 -28.335 1.00 35.12 C ATOM 929 NZ LYS A 60 22.202 24.992 -27.679 1.00 72.20 N ATOM 0 H LYS A 60 20.442 20.632 -24.349 1.00 65.34 H new ATOM 0 HA LYS A 60 18.555 22.755 -24.512 1.00 35.55 H new ATOM 0 HB2 LYS A 60 19.957 20.861 -26.336 1.00 21.34 H new ATOM 0 HB3 LYS A 60 18.425 21.475 -26.926 1.00 21.34 H new ATOM 0 HG2 LYS A 60 19.284 23.515 -27.359 1.00 62.33 H new ATOM 0 HG3 LYS A 60 20.070 23.615 -25.796 1.00 62.33 H new ATOM 0 HD2 LYS A 60 22.047 22.654 -26.561 1.00 63.43 H new ATOM 0 HD3 LYS A 60 21.247 21.736 -27.821 1.00 63.43 H new ATOM 0 HE2 LYS A 60 22.335 23.390 -29.058 1.00 35.12 H new ATOM 0 HE3 LYS A 60 20.729 24.070 -28.890 1.00 35.12 H new ATOM 0 HZ1 LYS A 60 22.429 25.705 -28.401 1.00 72.20 H new ATOM 0 HZ2 LYS A 60 21.513 25.386 -27.007 1.00 72.20 H new ATOM 0 HZ3 LYS A 60 23.069 24.727 -27.170 1.00 72.20 H new ATOM 943 N ILE A 61 16.284 21.744 -24.838 1.00 43.34 N ATOM 944 CA ILE A 61 14.946 21.168 -24.790 1.00 24.11 C ATOM 945 C ILE A 61 14.595 20.482 -26.106 1.00 2.31 C ATOM 946 O ILE A 61 14.271 19.295 -26.149 1.00 44.20 O ATOM 947 CB ILE A 61 13.883 22.239 -24.482 1.00 60.31 C ATOM 948 CG1 ILE A 61 13.733 22.420 -22.970 1.00 61.03 C ATOM 949 CG2 ILE A 61 12.551 21.858 -25.110 1.00 73.21 C ATOM 950 CD1 ILE A 61 12.880 21.356 -22.316 1.00 1.03 C ATOM 0 H ILE A 61 16.303 22.758 -24.950 1.00 43.34 H new ATOM 0 HA ILE A 61 14.949 20.430 -23.988 1.00 24.11 H new ATOM 0 HB ILE A 61 14.208 23.187 -24.912 1.00 60.31 H new ATOM 0 HG12 ILE A 61 14.722 22.414 -22.512 1.00 61.03 H new ATOM 0 HG13 ILE A 61 13.295 23.398 -22.771 1.00 61.03 H new ATOM 0 HG21 ILE A 61 11.810 22.624 -24.884 1.00 73.21 H new ATOM 0 HG22 ILE A 61 12.669 21.775 -26.190 1.00 73.21 H new ATOM 0 HG23 ILE A 61 12.219 20.901 -24.706 1.00 73.21 H new ATOM 0 HD11 ILE A 61 12.817 21.547 -21.245 1.00 1.03 H new ATOM 0 HD12 ILE A 61 11.879 21.376 -22.747 1.00 1.03 H new ATOM 0 HD13 ILE A 61 13.328 20.377 -22.484 1.00 1.03 H new ATOM 962 N PRO A 62 14.662 21.245 -27.207 1.00 14.41 N ATOM 963 CA PRO A 62 14.357 20.732 -28.546 1.00 35.04 C ATOM 964 C PRO A 62 15.411 19.750 -29.044 1.00 30.30 C ATOM 965 O PRO A 62 15.266 19.160 -30.114 1.00 35.30 O ATOM 966 CB PRO A 62 14.346 21.992 -29.415 1.00 21.11 C ATOM 967 CG PRO A 62 15.223 22.957 -28.694 1.00 62.42 C ATOM 968 CD PRO A 62 15.040 22.668 -27.230 1.00 4.32 C ATOM 0 HA PRO A 62 13.419 20.176 -28.566 1.00 35.04 H new ATOM 0 HB2 PRO A 62 14.724 21.786 -30.416 1.00 21.11 H new ATOM 0 HB3 PRO A 62 13.336 22.385 -29.530 1.00 21.11 H new ATOM 0 HG2 PRO A 62 16.265 22.833 -28.989 1.00 62.42 H new ATOM 0 HG3 PRO A 62 14.946 23.985 -28.927 1.00 62.42 H new ATOM 0 HD2 PRO A 62 15.956 22.850 -26.667 1.00 4.32 H new ATOM 0 HD3 PRO A 62 14.266 23.297 -26.790 1.00 4.32 H new ATOM 976 N GLU A 63 16.472 19.579 -28.261 1.00 14.22 N ATOM 977 CA GLU A 63 17.550 18.668 -28.625 1.00 22.25 C ATOM 978 C GLU A 63 17.591 17.469 -27.681 1.00 1.21 C ATOM 979 O GLU A 63 17.437 16.325 -28.107 1.00 14.44 O ATOM 980 CB GLU A 63 18.895 19.397 -28.598 1.00 51.54 C ATOM 981 CG GLU A 63 18.871 20.744 -29.302 1.00 74.00 C ATOM 982 CD GLU A 63 18.636 20.618 -30.795 1.00 23.11 C ATOM 983 OE1 GLU A 63 19.056 19.595 -31.376 1.00 43.54 O ATOM 984 OE2 GLU A 63 18.034 21.541 -31.382 1.00 33.25 O ATOM 0 H GLU A 63 16.607 20.059 -27.371 1.00 14.22 H new ATOM 0 HA GLU A 63 17.360 18.307 -29.636 1.00 22.25 H new ATOM 0 HB2 GLU A 63 19.199 19.543 -27.561 1.00 51.54 H new ATOM 0 HB3 GLU A 63 19.651 18.766 -29.065 1.00 51.54 H new ATOM 0 HG2 GLU A 63 18.088 21.364 -28.866 1.00 74.00 H new ATOM 0 HG3 GLU A 63 19.817 21.257 -29.129 1.00 74.00 H new ATOM 991 N ASN A 64 17.801 17.741 -26.397 1.00 42.21 N ATOM 992 CA ASN A 64 17.864 16.686 -25.393 1.00 31.25 C ATOM 993 C ASN A 64 16.467 16.179 -25.048 1.00 14.44 C ATOM 994 O ASN A 64 16.148 15.012 -25.268 1.00 34.41 O ATOM 995 CB ASN A 64 18.560 17.196 -24.129 1.00 51.21 C ATOM 996 CG ASN A 64 19.227 16.082 -23.346 1.00 74.30 C ATOM 997 OD1 ASN A 64 20.397 15.769 -23.565 1.00 30.45 O ATOM 998 ND2 ASN A 64 18.482 15.477 -22.428 1.00 21.23 N ATOM 0 H ASN A 64 17.930 18.683 -26.028 1.00 42.21 H new ATOM 0 HA ASN A 64 18.440 15.859 -25.808 1.00 31.25 H new ATOM 0 HB2 ASN A 64 19.307 17.940 -24.404 1.00 51.21 H new ATOM 0 HB3 ASN A 64 17.830 17.697 -23.493 1.00 51.21 H new ATOM 0 HD21 ASN A 64 18.876 14.719 -21.870 1.00 21.23 H new ATOM 0 HD22 ASN A 64 17.516 15.770 -22.281 1.00 21.23 H new ATOM 1005 N GLU A 65 15.638 17.067 -24.506 1.00 43.11 N ATOM 1006 CA GLU A 65 14.275 16.709 -24.131 1.00 4.42 C ATOM 1007 C GLU A 65 13.491 16.212 -25.341 1.00 75.03 C ATOM 1008 O GLU A 65 12.519 15.470 -25.202 1.00 13.00 O ATOM 1009 CB GLU A 65 13.563 17.911 -23.506 1.00 31.43 C ATOM 1010 CG GLU A 65 13.918 18.137 -22.046 1.00 23.01 C ATOM 1011 CD GLU A 65 15.301 18.732 -21.868 1.00 5.43 C ATOM 1012 OE1 GLU A 65 16.277 17.955 -21.801 1.00 10.43 O ATOM 1013 OE2 GLU A 65 15.409 19.974 -21.795 1.00 54.31 O ATOM 0 H GLU A 65 15.887 18.038 -24.317 1.00 43.11 H new ATOM 0 HA GLU A 65 14.326 15.904 -23.398 1.00 4.42 H new ATOM 0 HB2 GLU A 65 13.813 18.807 -24.075 1.00 31.43 H new ATOM 0 HB3 GLU A 65 12.486 17.769 -23.592 1.00 31.43 H new ATOM 0 HG2 GLU A 65 13.180 18.801 -21.595 1.00 23.01 H new ATOM 0 HG3 GLU A 65 13.863 17.189 -21.511 1.00 23.01 H new ATOM 1020 N ALA A 66 13.920 16.627 -26.529 1.00 13.14 N ATOM 1021 CA ALA A 66 13.259 16.223 -27.764 1.00 0.34 C ATOM 1022 C ALA A 66 13.429 14.729 -28.014 1.00 23.20 C ATOM 1023 O ALA A 66 12.770 14.156 -28.880 1.00 54.01 O ATOM 1024 CB ALA A 66 13.803 17.023 -28.939 1.00 34.44 C ATOM 0 H ALA A 66 14.722 17.243 -26.662 1.00 13.14 H new ATOM 0 HA ALA A 66 12.193 16.428 -27.661 1.00 0.34 H new ATOM 0 HB1 ALA A 66 13.301 16.711 -29.855 1.00 34.44 H new ATOM 0 HB2 ALA A 66 13.624 18.085 -28.770 1.00 34.44 H new ATOM 0 HB3 ALA A 66 14.874 16.846 -29.034 1.00 34.44 H new ATOM 1030 N ASN A 67 14.319 14.103 -27.250 1.00 42.13 N ATOM 1031 CA ASN A 67 14.577 12.675 -27.391 1.00 31.42 C ATOM 1032 C ASN A 67 13.298 11.868 -27.186 1.00 50.32 C ATOM 1033 O ASN A 67 13.133 10.792 -27.760 1.00 1.23 O ATOM 1034 CB ASN A 67 15.642 12.226 -26.388 1.00 13.22 C ATOM 1035 CG ASN A 67 15.064 11.964 -25.010 1.00 64.12 C ATOM 1036 OD1 ASN A 67 14.492 12.997 -24.402 1.00 61.12 O flip ATOM 1037 ND2 ASN A 67 15.132 10.846 -24.499 1.00 62.43 N flip ATOM 0 H ASN A 67 14.873 14.562 -26.527 1.00 42.13 H new ATOM 0 HA ASN A 67 14.941 12.496 -28.403 1.00 31.42 H new ATOM 0 HB2 ASN A 67 16.124 11.320 -26.755 1.00 13.22 H new ATOM 0 HB3 ASN A 67 16.415 12.991 -26.316 1.00 13.22 H new ATOM 0 HD21 ASN A 67 15.581 10.081 -25.003 1.00 62.43 H new ATOM 0 HD22 ASN A 67 14.739 10.684 -23.572 1.00 62.43 H new ATOM 1044 N GLU A 68 12.396 12.398 -26.365 1.00 61.43 N ATOM 1045 CA GLU A 68 11.132 11.727 -26.085 1.00 62.43 C ATOM 1046 C GLU A 68 10.081 12.724 -25.606 1.00 23.23 C ATOM 1047 O GLU A 68 9.345 12.458 -24.655 1.00 70.15 O ATOM 1048 CB GLU A 68 11.332 10.634 -25.033 1.00 74.42 C ATOM 1049 CG GLU A 68 11.612 9.263 -25.625 1.00 74.43 C ATOM 1050 CD GLU A 68 10.551 8.828 -26.618 1.00 42.45 C ATOM 1051 OE1 GLU A 68 9.565 8.191 -26.194 1.00 24.52 O ATOM 1052 OE2 GLU A 68 10.708 9.127 -27.821 1.00 53.30 O ATOM 0 H GLU A 68 12.517 13.289 -25.883 1.00 61.43 H new ATOM 0 HA GLU A 68 10.779 11.271 -27.010 1.00 62.43 H new ATOM 0 HB2 GLU A 68 12.160 10.915 -24.382 1.00 74.42 H new ATOM 0 HB3 GLU A 68 10.441 10.575 -24.408 1.00 74.42 H new ATOM 0 HG2 GLU A 68 12.583 9.276 -26.119 1.00 74.43 H new ATOM 0 HG3 GLU A 68 11.674 8.530 -24.821 1.00 74.43 H new ATOM 1059 N PHE A 69 10.018 13.873 -26.270 1.00 4.23 N ATOM 1060 CA PHE A 69 9.059 14.912 -25.911 1.00 65.32 C ATOM 1061 C PHE A 69 7.792 14.796 -26.753 1.00 30.42 C ATOM 1062 O PHE A 69 7.842 14.401 -27.917 1.00 44.13 O ATOM 1063 CB PHE A 69 9.683 16.297 -26.096 1.00 32.21 C ATOM 1064 CG PHE A 69 9.595 17.162 -24.871 1.00 65.40 C ATOM 1065 CD1 PHE A 69 9.851 16.635 -23.615 1.00 72.12 C ATOM 1066 CD2 PHE A 69 9.258 18.501 -24.975 1.00 55.34 C ATOM 1067 CE1 PHE A 69 9.772 17.428 -22.486 1.00 12.00 C ATOM 1068 CE2 PHE A 69 9.177 19.299 -23.850 1.00 3.41 C ATOM 1069 CZ PHE A 69 9.434 18.762 -22.604 1.00 35.14 C ATOM 0 H PHE A 69 10.619 14.109 -27.059 1.00 4.23 H new ATOM 0 HA PHE A 69 8.791 14.779 -24.863 1.00 65.32 H new ATOM 0 HB2 PHE A 69 10.730 16.181 -26.375 1.00 32.21 H new ATOM 0 HB3 PHE A 69 9.187 16.803 -26.925 1.00 32.21 H new ATOM 0 HD1 PHE A 69 10.115 15.592 -23.517 1.00 72.12 H new ATOM 0 HD2 PHE A 69 9.056 18.927 -25.947 1.00 55.34 H new ATOM 0 HE1 PHE A 69 9.974 17.005 -21.513 1.00 12.00 H new ATOM 0 HE2 PHE A 69 8.913 20.342 -23.945 1.00 3.41 H new ATOM 0 HZ PHE A 69 9.371 19.384 -21.723 1.00 35.14 H new ATOM 1079 N GLU A 70 6.657 15.142 -26.153 1.00 70.35 N ATOM 1080 CA GLU A 70 5.376 15.075 -26.847 1.00 62.24 C ATOM 1081 C GLU A 70 4.339 15.960 -26.162 1.00 42.01 C ATOM 1082 O GLU A 70 3.806 16.893 -26.764 1.00 72.53 O ATOM 1083 CB GLU A 70 4.875 13.630 -26.901 1.00 14.35 C ATOM 1084 CG GLU A 70 3.680 13.434 -27.819 1.00 12.24 C ATOM 1085 CD GLU A 70 4.077 12.941 -29.196 1.00 64.51 C ATOM 1086 OE1 GLU A 70 4.573 11.799 -29.298 1.00 32.13 O ATOM 1087 OE2 GLU A 70 3.892 13.697 -30.173 1.00 24.32 O ATOM 0 H GLU A 70 6.599 15.471 -25.189 1.00 70.35 H new ATOM 0 HA GLU A 70 5.523 15.439 -27.864 1.00 62.24 H new ATOM 0 HB2 GLU A 70 5.688 12.985 -27.234 1.00 14.35 H new ATOM 0 HB3 GLU A 70 4.606 13.310 -25.894 1.00 14.35 H new ATOM 0 HG2 GLU A 70 2.992 12.720 -27.366 1.00 12.24 H new ATOM 0 HG3 GLU A 70 3.143 14.377 -27.916 1.00 12.24 H new ATOM 1094 N THR A 71 4.057 15.661 -24.898 1.00 2.03 N ATOM 1095 CA THR A 71 3.084 16.427 -24.130 1.00 74.00 C ATOM 1096 C THR A 71 3.527 16.583 -22.680 1.00 12.11 C ATOM 1097 O THR A 71 4.607 16.132 -22.298 1.00 50.43 O ATOM 1098 CB THR A 71 1.695 15.762 -24.162 1.00 35.04 C ATOM 1099 OG1 THR A 71 1.730 14.520 -23.449 1.00 54.25 O ATOM 1100 CG2 THR A 71 1.244 15.518 -25.594 1.00 13.41 C ATOM 0 H THR A 71 4.489 14.893 -24.384 1.00 2.03 H new ATOM 0 HA THR A 71 3.019 17.411 -24.594 1.00 74.00 H new ATOM 0 HB THR A 71 0.983 16.435 -23.684 1.00 35.04 H new ATOM 0 HG1 THR A 71 0.989 14.489 -22.809 1.00 54.25 H new ATOM 0 HG21 THR A 71 0.261 15.048 -25.591 1.00 13.41 H new ATOM 0 HG22 THR A 71 1.190 16.468 -26.125 1.00 13.41 H new ATOM 0 HG23 THR A 71 1.958 14.863 -26.094 1.00 13.41 H new ATOM 1108 N VAL A 72 2.686 17.224 -21.875 1.00 14.15 N ATOM 1109 CA VAL A 72 2.990 17.438 -20.465 1.00 2.12 C ATOM 1110 C VAL A 72 3.413 16.138 -19.790 1.00 70.24 C ATOM 1111 O VAL A 72 4.340 16.118 -18.982 1.00 42.42 O ATOM 1112 CB VAL A 72 1.781 18.024 -19.712 1.00 41.51 C ATOM 1113 CG1 VAL A 72 2.063 18.092 -18.219 1.00 1.21 C ATOM 1114 CG2 VAL A 72 1.429 19.399 -20.259 1.00 40.45 C ATOM 0 H VAL A 72 1.788 17.604 -22.175 1.00 14.15 H new ATOM 0 HA VAL A 72 3.814 18.150 -20.424 1.00 2.12 H new ATOM 0 HB VAL A 72 0.926 17.366 -19.866 1.00 41.51 H new ATOM 0 HG11 VAL A 72 1.197 18.509 -17.704 1.00 1.21 H new ATOM 0 HG12 VAL A 72 2.263 17.090 -17.840 1.00 1.21 H new ATOM 0 HG13 VAL A 72 2.931 18.727 -18.041 1.00 1.21 H new ATOM 0 HG21 VAL A 72 0.573 19.798 -19.716 1.00 40.45 H new ATOM 0 HG22 VAL A 72 2.281 20.068 -20.137 1.00 40.45 H new ATOM 0 HG23 VAL A 72 1.181 19.317 -21.317 1.00 40.45 H new ATOM 1124 N GLY A 73 2.726 15.051 -20.129 1.00 52.02 N ATOM 1125 CA GLY A 73 3.045 13.760 -19.547 1.00 51.35 C ATOM 1126 C GLY A 73 4.527 13.447 -19.609 1.00 12.35 C ATOM 1127 O GLY A 73 5.088 12.881 -18.670 1.00 52.50 O ATOM 0 H GLY A 73 1.954 15.041 -20.796 1.00 52.02 H new ATOM 0 HA2 GLY A 73 2.716 13.742 -18.508 1.00 51.35 H new ATOM 0 HA3 GLY A 73 2.490 12.982 -20.071 1.00 51.35 H new ATOM 1131 N ASP A 74 5.162 13.814 -20.716 1.00 1.31 N ATOM 1132 CA ASP A 74 6.588 13.569 -20.896 1.00 62.34 C ATOM 1133 C ASP A 74 7.412 14.425 -19.940 1.00 43.43 C ATOM 1134 O ASP A 74 8.339 13.937 -19.294 1.00 21.31 O ATOM 1135 CB ASP A 74 6.998 13.857 -22.341 1.00 62.34 C ATOM 1136 CG ASP A 74 6.354 12.902 -23.327 1.00 63.22 C ATOM 1137 OD1 ASP A 74 5.431 12.165 -22.923 1.00 34.42 O ATOM 1138 OD2 ASP A 74 6.773 12.892 -24.503 1.00 42.24 O ATOM 0 H ASP A 74 4.712 14.282 -21.502 1.00 1.31 H new ATOM 0 HA ASP A 74 6.782 12.520 -20.674 1.00 62.34 H new ATOM 0 HB2 ASP A 74 6.722 14.880 -22.597 1.00 62.34 H new ATOM 0 HB3 ASP A 74 8.082 13.788 -22.428 1.00 62.34 H new ATOM 1143 N VAL A 75 7.069 15.707 -19.856 1.00 60.14 N ATOM 1144 CA VAL A 75 7.777 16.632 -18.980 1.00 12.14 C ATOM 1145 C VAL A 75 7.687 16.187 -17.524 1.00 41.41 C ATOM 1146 O VAL A 75 8.646 16.319 -16.763 1.00 71.12 O ATOM 1147 CB VAL A 75 7.217 18.062 -19.103 1.00 64.24 C ATOM 1148 CG1 VAL A 75 8.132 19.056 -18.404 1.00 30.32 C ATOM 1149 CG2 VAL A 75 7.030 18.435 -20.566 1.00 42.31 C ATOM 0 H VAL A 75 6.305 16.128 -20.384 1.00 60.14 H new ATOM 0 HA VAL A 75 8.821 16.630 -19.295 1.00 12.14 H new ATOM 0 HB VAL A 75 6.243 18.096 -18.615 1.00 64.24 H new ATOM 0 HG11 VAL A 75 7.720 20.060 -18.502 1.00 30.32 H new ATOM 0 HG12 VAL A 75 8.211 18.797 -17.348 1.00 30.32 H new ATOM 0 HG13 VAL A 75 9.121 19.023 -18.861 1.00 30.32 H new ATOM 0 HG21 VAL A 75 6.634 19.448 -20.635 1.00 42.31 H new ATOM 0 HG22 VAL A 75 7.990 18.385 -21.080 1.00 42.31 H new ATOM 0 HG23 VAL A 75 6.332 17.740 -21.032 1.00 42.31 H new ATOM 1159 N VAL A 76 6.528 15.659 -17.143 1.00 4.44 N ATOM 1160 CA VAL A 76 6.313 15.193 -15.778 1.00 61.01 C ATOM 1161 C VAL A 76 7.311 14.102 -15.406 1.00 43.41 C ATOM 1162 O VAL A 76 8.045 14.226 -14.426 1.00 52.34 O ATOM 1163 CB VAL A 76 4.884 14.651 -15.589 1.00 54.40 C ATOM 1164 CG1 VAL A 76 4.679 14.170 -14.161 1.00 24.13 C ATOM 1165 CG2 VAL A 76 3.859 15.715 -15.954 1.00 11.05 C ATOM 0 H VAL A 76 5.724 15.543 -17.760 1.00 4.44 H new ATOM 0 HA VAL A 76 6.458 16.053 -15.124 1.00 61.01 H new ATOM 0 HB VAL A 76 4.746 13.800 -16.256 1.00 54.40 H new ATOM 0 HG11 VAL A 76 3.663 13.791 -14.047 1.00 24.13 H new ATOM 0 HG12 VAL A 76 5.390 13.375 -13.939 1.00 24.13 H new ATOM 0 HG13 VAL A 76 4.836 15.000 -13.472 1.00 24.13 H new ATOM 0 HG21 VAL A 76 2.854 15.315 -15.815 1.00 11.05 H new ATOM 0 HG22 VAL A 76 3.995 16.586 -15.313 1.00 11.05 H new ATOM 0 HG23 VAL A 76 3.992 16.006 -16.996 1.00 11.05 H new ATOM 1175 N ASN A 77 7.333 13.034 -16.196 1.00 65.21 N ATOM 1176 CA ASN A 77 8.242 11.920 -15.950 1.00 2.02 C ATOM 1177 C ASN A 77 9.683 12.314 -16.262 1.00 13.11 C ATOM 1178 O ASN A 77 10.627 11.713 -15.749 1.00 61.14 O ATOM 1179 CB ASN A 77 7.839 10.709 -16.794 1.00 13.23 C ATOM 1180 CG ASN A 77 8.605 10.634 -18.100 1.00 61.41 C ATOM 1181 OD1 ASN A 77 9.772 10.241 -18.126 1.00 75.35 O ATOM 1182 ND2 ASN A 77 7.951 11.011 -19.192 1.00 51.23 N ATOM 0 H ASN A 77 6.732 12.916 -17.012 1.00 65.21 H new ATOM 0 HA ASN A 77 8.176 11.657 -14.894 1.00 2.02 H new ATOM 0 HB2 ASN A 77 8.011 9.797 -16.222 1.00 13.23 H new ATOM 0 HB3 ASN A 77 6.771 10.756 -17.005 1.00 13.23 H new ATOM 0 HD21 ASN A 77 8.415 10.982 -20.100 1.00 51.23 H new ATOM 0 HD22 ASN A 77 6.985 11.330 -19.123 1.00 51.23 H new ATOM 1189 N PHE A 78 9.843 13.328 -17.105 1.00 44.33 N ATOM 1190 CA PHE A 78 11.169 13.803 -17.486 1.00 55.14 C ATOM 1191 C PHE A 78 11.880 14.442 -16.297 1.00 41.13 C ATOM 1192 O PHE A 78 12.941 13.982 -15.875 1.00 63.31 O ATOM 1193 CB PHE A 78 11.062 14.811 -18.633 1.00 63.41 C ATOM 1194 CG PHE A 78 11.285 14.202 -19.988 1.00 43.21 C ATOM 1195 CD1 PHE A 78 10.830 12.925 -20.272 1.00 21.31 C ATOM 1196 CD2 PHE A 78 11.949 14.908 -20.978 1.00 45.02 C ATOM 1197 CE1 PHE A 78 11.035 12.362 -21.518 1.00 12.33 C ATOM 1198 CE2 PHE A 78 12.157 14.351 -22.226 1.00 53.02 C ATOM 1199 CZ PHE A 78 11.698 13.077 -22.496 1.00 73.24 C ATOM 0 H PHE A 78 9.072 13.837 -17.538 1.00 44.33 H new ATOM 0 HA PHE A 78 11.754 12.945 -17.818 1.00 55.14 H new ATOM 0 HB2 PHE A 78 10.075 15.273 -18.609 1.00 63.41 H new ATOM 0 HB3 PHE A 78 11.791 15.606 -18.476 1.00 63.41 H new ATOM 0 HD1 PHE A 78 10.309 12.363 -19.511 1.00 21.31 H new ATOM 0 HD2 PHE A 78 12.308 15.905 -20.772 1.00 45.02 H new ATOM 0 HE1 PHE A 78 10.677 11.364 -21.726 1.00 12.33 H new ATOM 0 HE2 PHE A 78 12.678 14.911 -22.989 1.00 53.02 H new ATOM 0 HZ PHE A 78 11.857 12.640 -23.471 1.00 73.24 H new ATOM 1209 N ILE A 79 11.288 15.505 -15.763 1.00 24.01 N ATOM 1210 CA ILE A 79 11.865 16.207 -14.623 1.00 33.11 C ATOM 1211 C ILE A 79 11.902 15.313 -13.388 1.00 70.43 C ATOM 1212 O ILE A 79 12.681 15.544 -12.464 1.00 25.43 O ATOM 1213 CB ILE A 79 11.075 17.487 -14.292 1.00 32.00 C ATOM 1214 CG1 ILE A 79 10.901 18.344 -15.548 1.00 31.15 C ATOM 1215 CG2 ILE A 79 11.779 18.276 -13.199 1.00 3.33 C ATOM 1216 CD1 ILE A 79 10.164 19.641 -15.297 1.00 33.34 C ATOM 0 H ILE A 79 10.410 15.899 -16.101 1.00 24.01 H new ATOM 0 HA ILE A 79 12.883 16.479 -14.902 1.00 33.11 H new ATOM 0 HB ILE A 79 10.087 17.203 -13.929 1.00 32.00 H new ATOM 0 HG12 ILE A 79 11.883 18.568 -15.964 1.00 31.15 H new ATOM 0 HG13 ILE A 79 10.361 17.768 -16.299 1.00 31.15 H new ATOM 0 HG21 ILE A 79 11.209 19.178 -12.976 1.00 3.33 H new ATOM 0 HG22 ILE A 79 11.856 17.664 -12.300 1.00 3.33 H new ATOM 0 HG23 ILE A 79 12.778 18.553 -13.536 1.00 3.33 H new ATOM 0 HD11 ILE A 79 10.077 20.197 -16.231 1.00 33.34 H new ATOM 0 HD12 ILE A 79 9.168 19.425 -14.910 1.00 33.34 H new ATOM 0 HD13 ILE A 79 10.715 20.237 -14.569 1.00 33.34 H new ATOM 1228 N LYS A 80 11.055 14.289 -13.380 1.00 62.34 N ATOM 1229 CA LYS A 80 10.992 13.356 -12.262 1.00 21.05 C ATOM 1230 C LYS A 80 12.257 12.507 -12.189 1.00 4.24 C ATOM 1231 O LYS A 80 12.901 12.421 -11.142 1.00 54.53 O ATOM 1232 CB LYS A 80 9.765 12.451 -12.394 1.00 21.02 C ATOM 1233 CG LYS A 80 8.498 13.057 -11.816 1.00 75.53 C ATOM 1234 CD LYS A 80 7.263 12.280 -12.244 1.00 44.35 C ATOM 1235 CE LYS A 80 7.358 10.817 -11.841 1.00 34.12 C ATOM 1236 NZ LYS A 80 6.123 10.063 -12.195 1.00 42.13 N ATOM 0 H LYS A 80 10.402 14.084 -14.136 1.00 62.34 H new ATOM 0 HA LYS A 80 10.911 13.936 -11.343 1.00 21.05 H new ATOM 0 HB2 LYS A 80 9.602 12.225 -13.448 1.00 21.02 H new ATOM 0 HB3 LYS A 80 9.966 11.504 -11.893 1.00 21.02 H new ATOM 0 HG2 LYS A 80 8.563 13.069 -10.728 1.00 75.53 H new ATOM 0 HG3 LYS A 80 8.408 14.093 -12.141 1.00 75.53 H new ATOM 0 HD2 LYS A 80 6.377 12.726 -11.793 1.00 44.35 H new ATOM 0 HD3 LYS A 80 7.142 12.354 -13.325 1.00 44.35 H new ATOM 0 HE2 LYS A 80 8.216 10.360 -12.333 1.00 34.12 H new ATOM 0 HE3 LYS A 80 7.531 10.747 -10.767 1.00 34.12 H new ATOM 0 HZ1 LYS A 80 6.227 9.070 -11.904 1.00 42.13 H new ATOM 0 HZ2 LYS A 80 5.307 10.483 -11.706 1.00 42.13 H new ATOM 0 HZ3 LYS A 80 5.971 10.108 -13.223 1.00 42.13 H new ATOM 1250 N LYS A 81 12.610 11.882 -13.307 1.00 3.33 N ATOM 1251 CA LYS A 81 13.800 11.042 -13.371 1.00 44.23 C ATOM 1252 C LYS A 81 15.059 11.892 -13.511 1.00 3.15 C ATOM 1253 O LYS A 81 16.154 11.460 -13.150 1.00 63.21 O ATOM 1254 CB LYS A 81 13.698 10.067 -14.546 1.00 61.12 C ATOM 1255 CG LYS A 81 13.569 10.752 -15.896 1.00 21.22 C ATOM 1256 CD LYS A 81 14.545 10.177 -16.908 1.00 62.24 C ATOM 1257 CE LYS A 81 14.863 11.179 -18.008 1.00 31.04 C ATOM 1258 NZ LYS A 81 15.925 10.679 -18.924 1.00 2.22 N ATOM 0 H LYS A 81 12.089 11.941 -14.182 1.00 3.33 H new ATOM 0 HA LYS A 81 13.866 10.477 -12.441 1.00 44.23 H new ATOM 0 HB2 LYS A 81 14.581 9.428 -14.555 1.00 61.12 H new ATOM 0 HB3 LYS A 81 12.836 9.417 -14.394 1.00 61.12 H new ATOM 0 HG2 LYS A 81 12.550 10.639 -16.267 1.00 21.22 H new ATOM 0 HG3 LYS A 81 13.750 11.821 -15.782 1.00 21.22 H new ATOM 0 HD2 LYS A 81 15.466 9.886 -16.402 1.00 62.24 H new ATOM 0 HD3 LYS A 81 14.124 9.273 -17.348 1.00 62.24 H new ATOM 0 HE2 LYS A 81 13.959 11.389 -18.580 1.00 31.04 H new ATOM 0 HE3 LYS A 81 15.183 12.120 -17.561 1.00 31.04 H new ATOM 0 HZ1 LYS A 81 16.113 11.390 -19.659 1.00 2.22 H new ATOM 0 HZ2 LYS A 81 16.795 10.503 -18.383 1.00 2.22 H new ATOM 0 HZ3 LYS A 81 15.610 9.794 -19.371 1.00 2.22 H new ATOM 1272 N ARG A 82 14.896 13.103 -14.034 1.00 33.31 N ATOM 1273 CA ARG A 82 16.019 14.013 -14.220 1.00 24.20 C ATOM 1274 C ARG A 82 16.555 14.497 -12.876 1.00 12.42 C ATOM 1275 O ARG A 82 17.765 14.623 -12.686 1.00 32.13 O ATOM 1276 CB ARG A 82 15.598 15.210 -15.075 1.00 32.45 C ATOM 1277 CG ARG A 82 15.766 14.981 -16.568 1.00 13.02 C ATOM 1278 CD ARG A 82 15.602 16.274 -17.351 1.00 42.11 C ATOM 1279 NE ARG A 82 14.202 16.674 -17.461 1.00 10.20 N ATOM 1280 CZ ARG A 82 13.779 17.661 -18.244 1.00 33.44 C ATOM 1281 NH1 ARG A 82 14.643 18.343 -18.981 1.00 42.34 N ATOM 1282 NH2 ARG A 82 12.488 17.965 -18.290 1.00 1.54 N ATOM 0 H ARG A 82 13.996 13.476 -14.336 1.00 33.31 H new ATOM 0 HA ARG A 82 16.812 13.470 -14.734 1.00 24.20 H new ATOM 0 HB2 ARG A 82 14.554 15.445 -14.867 1.00 32.45 H new ATOM 0 HB3 ARG A 82 16.185 16.080 -14.781 1.00 32.45 H new ATOM 0 HG2 ARG A 82 16.751 14.558 -16.764 1.00 13.02 H new ATOM 0 HG3 ARG A 82 15.032 14.251 -16.910 1.00 13.02 H new ATOM 0 HD2 ARG A 82 16.168 17.067 -16.863 1.00 42.11 H new ATOM 0 HD3 ARG A 82 16.023 16.149 -18.349 1.00 42.11 H new ATOM 0 HE ARG A 82 13.511 16.168 -16.907 1.00 10.20 H new ATOM 0 HH11 ARG A 82 15.636 18.111 -18.948 1.00 42.34 H new ATOM 0 HH12 ARG A 82 14.316 19.100 -19.581 1.00 42.34 H new ATOM 0 HH21 ARG A 82 11.820 17.441 -17.724 1.00 1.54 H new ATOM 0 HH22 ARG A 82 12.164 18.723 -18.891 1.00 1.54 H new ATOM 1296 N LYS A 83 15.646 14.769 -11.946 1.00 14.02 N ATOM 1297 CA LYS A 83 16.025 15.239 -10.619 1.00 14.23 C ATOM 1298 C LYS A 83 16.095 14.080 -9.630 1.00 61.32 C ATOM 1299 O LYS A 83 17.079 13.926 -8.907 1.00 53.43 O ATOM 1300 CB LYS A 83 15.026 16.287 -10.122 1.00 30.12 C ATOM 1301 CG LYS A 83 15.624 17.280 -9.141 1.00 1.32 C ATOM 1302 CD LYS A 83 14.558 18.178 -8.536 1.00 34.43 C ATOM 1303 CE LYS A 83 14.387 19.459 -9.337 1.00 2.21 C ATOM 1304 NZ LYS A 83 13.848 20.568 -8.502 1.00 32.12 N ATOM 0 H LYS A 83 14.640 14.672 -12.087 1.00 14.02 H new ATOM 0 HA LYS A 83 17.014 15.693 -10.691 1.00 14.23 H new ATOM 0 HB2 LYS A 83 14.626 16.831 -10.978 1.00 30.12 H new ATOM 0 HB3 LYS A 83 14.187 15.780 -9.646 1.00 30.12 H new ATOM 0 HG2 LYS A 83 16.141 16.742 -8.347 1.00 1.32 H new ATOM 0 HG3 LYS A 83 16.370 17.891 -9.650 1.00 1.32 H new ATOM 0 HD2 LYS A 83 13.609 17.643 -8.497 1.00 34.43 H new ATOM 0 HD3 LYS A 83 14.828 18.423 -7.509 1.00 34.43 H new ATOM 0 HE2 LYS A 83 15.348 19.755 -9.758 1.00 2.21 H new ATOM 0 HE3 LYS A 83 13.715 19.276 -10.175 1.00 2.21 H new ATOM 0 HZ1 LYS A 83 13.746 21.423 -9.085 1.00 32.12 H new ATOM 0 HZ2 LYS A 83 12.919 20.296 -8.121 1.00 32.12 H new ATOM 0 HZ3 LYS A 83 14.502 20.760 -7.716 1.00 32.12 H new ATOM 1318 N GLY A 84 15.045 13.264 -9.605 1.00 41.23 N ATOM 1319 CA GLY A 84 15.009 12.128 -8.703 1.00 3.31 C ATOM 1320 C GLY A 84 15.660 10.895 -9.297 1.00 74.23 C ATOM 1321 O GLY A 84 16.878 10.733 -9.229 1.00 0.51 O ATOM 0 H GLY A 84 14.219 13.370 -10.194 1.00 41.23 H new ATOM 0 HA2 GLY A 84 15.515 12.390 -7.774 1.00 3.31 H new ATOM 0 HA3 GLY A 84 13.973 11.902 -8.450 1.00 3.31 H new