USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 177:sc= 0 (180deg=-0.0218) USER MOD Single : A 21 CYS SG : rot -138:sc= 0.00282 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0873 (180deg=-0.469) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0542 X(o=-0.054,f=-0.37) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 51 TYR OH : rot 130:sc= -1.01 USER MOD Single : A 52 GLN : amide:sc= -3.53! C(o=-3.5!,f=-8.1!) USER MOD Single : A 54 TYR OH : rot -93:sc=0.000702 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 64 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-9.6!) USER MOD Single : A 66 ASN : amide:sc= -0.0047 K(o=-0.0047,f=-1.3) USER MOD Single : A 68 MET CE :methyl 176:sc= -2.9 (180deg=-3) USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 8.753 7.591 0.262 1.00 1.01 N ATOM 70 CA GLU A 6 9.142 8.816 0.950 1.00 2.24 C ATOM 71 C GLU A 6 9.656 9.857 -0.040 1.00 51.11 C ATOM 72 O GLU A 6 10.360 9.527 -0.994 1.00 1.21 O ATOM 73 CB GLU A 6 10.217 8.519 1.998 1.00 11.55 C ATOM 74 CG GLU A 6 9.904 7.312 2.866 1.00 11.01 C ATOM 75 CD GLU A 6 10.925 7.105 3.968 1.00 62.34 C ATOM 76 OE1 GLU A 6 12.082 7.542 3.793 1.00 11.43 O ATOM 77 OE2 GLU A 6 10.568 6.505 5.003 1.00 5.11 O ATOM 0 HA GLU A 6 8.260 9.218 1.448 1.00 2.24 H new ATOM 0 HB2 GLU A 6 11.169 8.356 1.493 1.00 11.55 H new ATOM 0 HB3 GLU A 6 10.341 9.393 2.637 1.00 11.55 H new ATOM 0 HG2 GLU A 6 8.916 7.435 3.310 1.00 11.01 H new ATOM 0 HG3 GLU A 6 9.864 6.420 2.241 1.00 11.01 H new ATOM 84 N ALA A 7 9.297 11.115 0.194 1.00 44.34 N ATOM 85 CA ALA A 7 9.723 12.205 -0.676 1.00 75.12 C ATOM 86 C ALA A 7 10.854 13.006 -0.040 1.00 71.53 C ATOM 87 O ALA A 7 10.864 13.231 1.170 1.00 65.10 O ATOM 88 CB ALA A 7 8.545 13.114 -0.997 1.00 45.10 C ATOM 0 H ALA A 7 8.713 11.405 0.978 1.00 44.34 H new ATOM 0 HA ALA A 7 10.098 11.772 -1.603 1.00 75.12 H new ATOM 0 HB1 ALA A 7 8.877 13.924 -1.647 1.00 45.10 H new ATOM 0 HB2 ALA A 7 7.768 12.539 -1.501 1.00 45.10 H new ATOM 0 HB3 ALA A 7 8.145 13.531 -0.073 1.00 45.10 H new ATOM 94 N VAL A 8 11.806 13.433 -0.864 1.00 21.43 N ATOM 95 CA VAL A 8 12.942 14.209 -0.382 1.00 23.35 C ATOM 96 C VAL A 8 13.049 15.541 -1.116 1.00 23.53 C ATOM 97 O VAL A 8 12.770 15.627 -2.311 1.00 73.15 O ATOM 98 CB VAL A 8 14.263 13.434 -0.550 1.00 50.33 C ATOM 99 CG1 VAL A 8 15.393 14.139 0.185 1.00 32.55 C ATOM 100 CG2 VAL A 8 14.107 12.003 -0.060 1.00 61.20 C ATOM 0 H VAL A 8 11.813 13.254 -1.868 1.00 21.43 H new ATOM 0 HA VAL A 8 12.771 14.395 0.678 1.00 23.35 H new ATOM 0 HB VAL A 8 14.515 13.405 -1.610 1.00 50.33 H new ATOM 0 HG11 VAL A 8 16.318 13.577 0.055 1.00 32.55 H new ATOM 0 HG12 VAL A 8 15.519 15.144 -0.219 1.00 32.55 H new ATOM 0 HG13 VAL A 8 15.153 14.202 1.246 1.00 32.55 H new ATOM 0 HG21 VAL A 8 15.050 11.470 -0.186 1.00 61.20 H new ATOM 0 HG22 VAL A 8 13.831 12.008 0.995 1.00 61.20 H new ATOM 0 HG23 VAL A 8 13.328 11.504 -0.637 1.00 61.20 H new ATOM 110 N VAL A 9 13.457 16.578 -0.392 1.00 12.15 N ATOM 111 CA VAL A 9 13.603 17.907 -0.974 1.00 72.30 C ATOM 112 C VAL A 9 15.019 18.439 -0.781 1.00 75.44 C ATOM 113 O VAL A 9 15.581 18.357 0.311 1.00 43.34 O ATOM 114 CB VAL A 9 12.603 18.903 -0.357 1.00 4.11 C ATOM 115 CG1 VAL A 9 12.836 19.035 1.141 1.00 60.45 C ATOM 116 CG2 VAL A 9 12.710 20.257 -1.042 1.00 74.03 C ATOM 0 H VAL A 9 13.692 16.524 0.599 1.00 12.15 H new ATOM 0 HA VAL A 9 13.397 17.810 -2.040 1.00 72.30 H new ATOM 0 HB VAL A 9 11.594 18.521 -0.511 1.00 4.11 H new ATOM 0 HG11 VAL A 9 12.120 19.743 1.560 1.00 60.45 H new ATOM 0 HG12 VAL A 9 12.706 18.063 1.617 1.00 60.45 H new ATOM 0 HG13 VAL A 9 13.849 19.394 1.321 1.00 60.45 H new ATOM 0 HG21 VAL A 9 11.997 20.949 -0.594 1.00 74.03 H new ATOM 0 HG22 VAL A 9 13.720 20.648 -0.920 1.00 74.03 H new ATOM 0 HG23 VAL A 9 12.490 20.146 -2.104 1.00 74.03 H new ATOM 126 N LYS A 10 15.590 18.984 -1.850 1.00 10.34 N ATOM 127 CA LYS A 10 16.940 19.532 -1.800 1.00 2.34 C ATOM 128 C LYS A 10 16.912 21.056 -1.861 1.00 15.24 C ATOM 129 O LYS A 10 16.257 21.641 -2.725 1.00 63.11 O ATOM 130 CB LYS A 10 17.780 18.981 -2.954 1.00 73.22 C ATOM 131 CG LYS A 10 17.067 19.015 -4.295 1.00 33.40 C ATOM 132 CD LYS A 10 16.374 17.695 -4.592 1.00 0.24 C ATOM 133 CE LYS A 10 17.307 16.722 -5.295 1.00 22.40 C ATOM 134 NZ LYS A 10 17.436 17.027 -6.747 1.00 10.23 N ATOM 0 H LYS A 10 15.139 19.058 -2.762 1.00 10.34 H new ATOM 0 HA LYS A 10 17.391 19.232 -0.854 1.00 2.34 H new ATOM 0 HB2 LYS A 10 18.703 19.556 -3.028 1.00 73.22 H new ATOM 0 HB3 LYS A 10 18.063 17.953 -2.728 1.00 73.22 H new ATOM 0 HG2 LYS A 10 16.333 19.821 -4.298 1.00 33.40 H new ATOM 0 HG3 LYS A 10 17.785 19.236 -5.085 1.00 33.40 H new ATOM 0 HD2 LYS A 10 16.018 17.252 -3.662 1.00 0.24 H new ATOM 0 HD3 LYS A 10 15.498 17.875 -5.215 1.00 0.24 H new ATOM 0 HE2 LYS A 10 18.291 16.760 -4.827 1.00 22.40 H new ATOM 0 HE3 LYS A 10 16.933 15.706 -5.169 1.00 22.40 H new ATOM 0 HZ1 LYS A 10 18.080 16.341 -7.190 1.00 10.23 H new ATOM 0 HZ2 LYS A 10 16.501 16.966 -7.199 1.00 10.23 H new ATOM 0 HZ3 LYS A 10 17.817 17.987 -6.868 1.00 10.23 H new ATOM 148 N LEU A 11 17.625 21.694 -0.939 1.00 62.05 N ATOM 149 CA LEU A 11 17.683 23.151 -0.890 1.00 31.25 C ATOM 150 C LEU A 11 19.127 23.641 -0.934 1.00 72.50 C ATOM 151 O LEU A 11 20.045 22.934 -0.519 1.00 23.23 O ATOM 152 CB LEU A 11 16.997 23.665 0.377 1.00 32.13 C ATOM 153 CG LEU A 11 15.472 23.549 0.409 1.00 4.41 C ATOM 154 CD1 LEU A 11 15.050 22.216 1.006 1.00 24.03 C ATOM 155 CD2 LEU A 11 14.866 24.703 1.195 1.00 44.44 C ATOM 0 H LEU A 11 18.171 21.226 -0.216 1.00 62.05 H new ATOM 0 HA LEU A 11 17.160 23.540 -1.764 1.00 31.25 H new ATOM 0 HB2 LEU A 11 17.401 23.121 1.231 1.00 32.13 H new ATOM 0 HB3 LEU A 11 17.265 24.713 0.511 1.00 32.13 H new ATOM 0 HG LEU A 11 15.102 23.598 -0.615 1.00 4.41 H new ATOM 0 HD11 LEU A 11 13.962 22.152 1.020 1.00 24.03 H new ATOM 0 HD12 LEU A 11 15.453 21.403 0.402 1.00 24.03 H new ATOM 0 HD13 LEU A 11 15.432 22.136 2.024 1.00 24.03 H new ATOM 0 HD21 LEU A 11 13.781 24.604 1.207 1.00 44.44 H new ATOM 0 HD22 LEU A 11 15.244 24.685 2.217 1.00 44.44 H new ATOM 0 HD23 LEU A 11 15.139 25.647 0.724 1.00 44.44 H new ATOM 167 N ARG A 12 19.319 24.855 -1.438 1.00 60.14 N ATOM 168 CA ARG A 12 20.651 25.440 -1.536 1.00 70.40 C ATOM 169 C ARG A 12 20.990 26.234 -0.278 1.00 34.32 C ATOM 170 O ARG A 12 20.303 27.196 0.065 1.00 12.14 O ATOM 171 CB ARG A 12 20.744 26.346 -2.765 1.00 5.13 C ATOM 172 CG ARG A 12 22.053 26.208 -3.526 1.00 31.53 C ATOM 173 CD ARG A 12 21.946 26.785 -4.928 1.00 55.42 C ATOM 174 NE ARG A 12 22.638 25.960 -5.915 1.00 13.34 N ATOM 175 CZ ARG A 12 23.011 26.402 -7.110 1.00 41.33 C ATOM 176 NH1 ARG A 12 22.761 27.655 -7.466 1.00 33.23 N ATOM 177 NH2 ARG A 12 23.637 25.591 -7.953 1.00 60.22 N ATOM 0 H ARG A 12 18.569 25.453 -1.785 1.00 60.14 H new ATOM 0 HA ARG A 12 21.371 24.628 -1.637 1.00 70.40 H new ATOM 0 HB2 ARG A 12 19.917 26.118 -3.437 1.00 5.13 H new ATOM 0 HB3 ARG A 12 20.623 27.383 -2.451 1.00 5.13 H new ATOM 0 HG2 ARG A 12 22.847 26.718 -2.981 1.00 31.53 H new ATOM 0 HG3 ARG A 12 22.332 25.156 -3.585 1.00 31.53 H new ATOM 0 HD2 ARG A 12 20.895 26.875 -5.204 1.00 55.42 H new ATOM 0 HD3 ARG A 12 22.365 27.791 -4.939 1.00 55.42 H new ATOM 0 HE ARG A 12 22.846 24.991 -5.673 1.00 13.34 H new ATOM 0 HH11 ARG A 12 22.281 28.282 -6.821 1.00 33.23 H new ATOM 0 HH12 ARG A 12 23.049 27.991 -8.385 1.00 33.23 H new ATOM 0 HH21 ARG A 12 23.832 24.627 -7.683 1.00 60.22 H new ATOM 0 HH22 ARG A 12 23.923 25.932 -8.871 1.00 60.22 H new ATOM 191 N VAL A 13 22.053 25.823 0.406 1.00 11.55 N ATOM 192 CA VAL A 13 22.483 26.496 1.626 1.00 4.32 C ATOM 193 C VAL A 13 23.601 27.492 1.339 1.00 5.21 C ATOM 194 O VAL A 13 24.659 27.123 0.830 1.00 30.51 O ATOM 195 CB VAL A 13 22.969 25.486 2.683 1.00 41.42 C ATOM 196 CG1 VAL A 13 22.815 26.062 4.082 1.00 1.03 C ATOM 197 CG2 VAL A 13 22.213 24.173 2.551 1.00 14.23 C ATOM 0 H VAL A 13 22.632 25.028 0.136 1.00 11.55 H new ATOM 0 HA VAL A 13 21.616 27.029 2.016 1.00 4.32 H new ATOM 0 HB VAL A 13 24.027 25.288 2.513 1.00 41.42 H new ATOM 0 HG11 VAL A 13 23.163 25.335 4.815 1.00 1.03 H new ATOM 0 HG12 VAL A 13 23.406 26.974 4.167 1.00 1.03 H new ATOM 0 HG13 VAL A 13 21.766 26.291 4.268 1.00 1.03 H new ATOM 0 HG21 VAL A 13 22.569 23.471 3.305 1.00 14.23 H new ATOM 0 HG22 VAL A 13 21.147 24.351 2.695 1.00 14.23 H new ATOM 0 HG23 VAL A 13 22.380 23.755 1.558 1.00 14.23 H new ATOM 207 N GLU A 14 23.360 28.757 1.670 1.00 75.22 N ATOM 208 CA GLU A 14 24.347 29.806 1.447 1.00 40.33 C ATOM 209 C GLU A 14 25.012 30.215 2.758 1.00 64.11 C ATOM 210 O GLU A 14 25.937 31.026 2.771 1.00 41.21 O ATOM 211 CB GLU A 14 23.691 31.025 0.794 1.00 74.41 C ATOM 212 CG GLU A 14 24.160 31.279 -0.629 1.00 14.43 C ATOM 213 CD GLU A 14 25.437 32.094 -0.685 1.00 3.24 C ATOM 214 OE1 GLU A 14 26.424 31.698 -0.029 1.00 74.24 O ATOM 215 OE2 GLU A 14 25.450 33.129 -1.384 1.00 64.55 O ATOM 0 H GLU A 14 22.490 29.080 2.093 1.00 75.22 H new ATOM 0 HA GLU A 14 25.112 29.412 0.778 1.00 40.33 H new ATOM 0 HB2 GLU A 14 22.610 30.888 0.792 1.00 74.41 H new ATOM 0 HB3 GLU A 14 23.899 31.907 1.399 1.00 74.41 H new ATOM 0 HG2 GLU A 14 24.320 30.325 -1.131 1.00 14.43 H new ATOM 0 HG3 GLU A 14 23.376 31.800 -1.178 1.00 14.43 H new ATOM 222 N GLY A 15 24.533 29.646 3.860 1.00 4.23 N ATOM 223 CA GLY A 15 25.092 29.964 5.161 1.00 22.55 C ATOM 224 C GLY A 15 26.046 28.896 5.659 1.00 64.13 C ATOM 225 O GLY A 15 26.689 29.062 6.695 1.00 12.31 O ATOM 0 H GLY A 15 23.768 28.971 3.875 1.00 4.23 H new ATOM 0 HA2 GLY A 15 25.617 30.918 5.104 1.00 22.55 H new ATOM 0 HA3 GLY A 15 24.283 30.088 5.880 1.00 22.55 H new ATOM 229 N MET A 16 26.138 27.796 4.919 1.00 63.40 N ATOM 230 CA MET A 16 27.021 26.696 5.292 1.00 40.24 C ATOM 231 C MET A 16 28.433 27.203 5.570 1.00 72.24 C ATOM 232 O MET A 16 28.921 28.113 4.899 1.00 53.03 O ATOM 233 CB MET A 16 27.054 25.642 4.183 1.00 12.13 C ATOM 234 CG MET A 16 27.791 24.372 4.574 1.00 22.35 C ATOM 235 SD MET A 16 28.998 23.860 3.337 1.00 43.13 S ATOM 236 CE MET A 16 30.292 25.070 3.605 1.00 74.14 C ATOM 0 H MET A 16 25.613 27.642 4.058 1.00 63.40 H new ATOM 0 HA MET A 16 26.631 26.242 6.203 1.00 40.24 H new ATOM 0 HB2 MET A 16 26.031 25.388 3.904 1.00 12.13 H new ATOM 0 HB3 MET A 16 27.528 26.070 3.300 1.00 12.13 H new ATOM 0 HG2 MET A 16 28.297 24.529 5.526 1.00 22.35 H new ATOM 0 HG3 MET A 16 27.069 23.570 4.725 1.00 22.35 H new ATOM 0 HE1 MET A 16 31.135 24.853 2.949 1.00 74.14 H new ATOM 0 HE2 MET A 16 29.909 26.067 3.386 1.00 74.14 H new ATOM 0 HE3 MET A 16 30.620 25.028 4.643 1.00 74.14 H new ATOM 299 N CYS A 21 28.295 22.173 10.765 1.00 52.33 N ATOM 300 CA CYS A 21 27.009 22.343 11.432 1.00 21.25 C ATOM 301 C CYS A 21 26.051 21.216 11.061 1.00 31.33 C ATOM 302 O CYS A 21 25.042 20.998 11.732 1.00 11.22 O ATOM 303 CB CYS A 21 26.394 23.694 11.064 1.00 32.41 C ATOM 304 SG CYS A 21 26.056 24.762 12.483 1.00 41.41 S ATOM 0 HA CYS A 21 27.179 22.311 12.508 1.00 21.25 H new ATOM 0 HB2 CYS A 21 27.068 24.215 10.383 1.00 32.41 H new ATOM 0 HB3 CYS A 21 25.464 23.522 10.522 1.00 32.41 H new ATOM 0 HG CYS A 21 24.905 25.344 12.323 1.00 41.41 H new ATOM 310 N VAL A 22 26.373 20.502 9.987 1.00 54.11 N ATOM 311 CA VAL A 22 25.540 19.397 9.526 1.00 44.45 C ATOM 312 C VAL A 22 25.233 18.429 10.662 1.00 20.11 C ATOM 313 O VAL A 22 24.092 18.000 10.835 1.00 41.52 O ATOM 314 CB VAL A 22 26.218 18.626 8.377 1.00 32.03 C ATOM 315 CG1 VAL A 22 25.377 17.425 7.972 1.00 60.12 C ATOM 316 CG2 VAL A 22 26.459 19.544 7.189 1.00 50.14 C ATOM 0 H VAL A 22 27.204 20.669 9.420 1.00 54.11 H new ATOM 0 HA VAL A 22 24.609 19.832 9.163 1.00 44.45 H new ATOM 0 HB VAL A 22 27.184 18.262 8.727 1.00 32.03 H new ATOM 0 HG11 VAL A 22 25.871 16.892 7.159 1.00 60.12 H new ATOM 0 HG12 VAL A 22 25.261 16.757 8.826 1.00 60.12 H new ATOM 0 HG13 VAL A 22 24.395 17.763 7.640 1.00 60.12 H new ATOM 0 HG21 VAL A 22 26.938 18.983 6.387 1.00 50.14 H new ATOM 0 HG22 VAL A 22 25.507 19.940 6.836 1.00 50.14 H new ATOM 0 HG23 VAL A 22 27.105 20.368 7.491 1.00 50.14 H new ATOM 326 N SER A 23 26.259 18.088 11.435 1.00 11.04 N ATOM 327 CA SER A 23 26.100 17.167 12.555 1.00 75.14 C ATOM 328 C SER A 23 24.999 17.643 13.497 1.00 35.14 C ATOM 329 O SER A 23 24.228 16.841 14.025 1.00 61.10 O ATOM 330 CB SER A 23 27.417 17.028 13.320 1.00 70.12 C ATOM 331 OG SER A 23 27.917 15.704 13.239 1.00 53.34 O ATOM 0 H SER A 23 27.209 18.435 11.306 1.00 11.04 H new ATOM 0 HA SER A 23 25.817 16.193 12.155 1.00 75.14 H new ATOM 0 HB2 SER A 23 28.152 17.723 12.914 1.00 70.12 H new ATOM 0 HB3 SER A 23 27.265 17.299 14.365 1.00 70.12 H new ATOM 0 HG SER A 23 28.760 15.642 13.735 1.00 53.34 H new ATOM 337 N SER A 24 24.931 18.954 13.704 1.00 3.22 N ATOM 338 CA SER A 24 23.928 19.539 14.586 1.00 33.52 C ATOM 339 C SER A 24 22.532 19.405 13.984 1.00 0.34 C ATOM 340 O SER A 24 21.571 19.086 14.684 1.00 34.53 O ATOM 341 CB SER A 24 24.244 21.012 14.848 1.00 41.31 C ATOM 342 OG SER A 24 25.440 21.152 15.596 1.00 54.33 O ATOM 0 H SER A 24 25.559 19.632 13.272 1.00 3.22 H new ATOM 0 HA SER A 24 23.951 18.997 15.532 1.00 33.52 H new ATOM 0 HB2 SER A 24 24.340 21.541 13.900 1.00 41.31 H new ATOM 0 HB3 SER A 24 23.417 21.474 15.388 1.00 41.31 H new ATOM 0 HG SER A 24 25.621 22.103 15.749 1.00 54.33 H new ATOM 348 N ILE A 25 22.430 19.653 12.683 1.00 33.10 N ATOM 349 CA ILE A 25 21.153 19.560 11.986 1.00 32.23 C ATOM 350 C ILE A 25 20.647 18.122 11.956 1.00 72.43 C ATOM 351 O ILE A 25 19.451 17.878 11.800 1.00 32.24 O ATOM 352 CB ILE A 25 21.260 20.085 10.543 1.00 54.44 C ATOM 353 CG1 ILE A 25 21.924 21.464 10.526 1.00 33.32 C ATOM 354 CG2 ILE A 25 19.883 20.147 9.898 1.00 12.12 C ATOM 355 CD1 ILE A 25 22.070 22.047 9.138 1.00 3.35 C ATOM 0 H ILE A 25 23.216 19.920 12.090 1.00 33.10 H new ATOM 0 HA ILE A 25 20.446 20.180 12.538 1.00 32.23 H new ATOM 0 HB ILE A 25 21.879 19.397 9.967 1.00 54.44 H new ATOM 0 HG12 ILE A 25 21.337 22.148 11.139 1.00 33.32 H new ATOM 0 HG13 ILE A 25 22.910 21.389 10.986 1.00 33.32 H new ATOM 0 HG21 ILE A 25 19.975 20.520 8.878 1.00 12.12 H new ATOM 0 HG22 ILE A 25 19.444 19.149 9.881 1.00 12.12 H new ATOM 0 HG23 ILE A 25 19.242 20.816 10.472 1.00 12.12 H new ATOM 0 HD11 ILE A 25 22.548 23.024 9.202 1.00 3.35 H new ATOM 0 HD12 ILE A 25 22.682 21.383 8.527 1.00 3.35 H new ATOM 0 HD13 ILE A 25 21.085 22.154 8.683 1.00 3.35 H new ATOM 367 N GLU A 26 21.566 17.173 12.107 1.00 40.21 N ATOM 368 CA GLU A 26 21.212 15.759 12.097 1.00 31.35 C ATOM 369 C GLU A 26 20.293 15.420 13.268 1.00 40.13 C ATOM 370 O GLU A 26 19.352 14.640 13.127 1.00 64.20 O ATOM 371 CB GLU A 26 22.473 14.894 12.158 1.00 11.12 C ATOM 372 CG GLU A 26 22.513 13.801 11.103 1.00 13.05 C ATOM 373 CD GLU A 26 23.137 12.518 11.616 1.00 23.03 C ATOM 374 OE1 GLU A 26 24.129 12.600 12.371 1.00 50.35 O ATOM 375 OE2 GLU A 26 22.633 11.431 11.263 1.00 3.12 O ATOM 0 H GLU A 26 22.561 17.358 12.238 1.00 40.21 H new ATOM 0 HA GLU A 26 20.681 15.550 11.168 1.00 31.35 H new ATOM 0 HB2 GLU A 26 23.348 15.533 12.040 1.00 11.12 H new ATOM 0 HB3 GLU A 26 22.543 14.437 13.145 1.00 11.12 H new ATOM 0 HG2 GLU A 26 21.499 13.596 10.759 1.00 13.05 H new ATOM 0 HG3 GLU A 26 23.077 14.155 10.240 1.00 13.05 H new ATOM 382 N GLY A 27 20.574 16.013 14.424 1.00 11.32 N ATOM 383 CA GLY A 27 19.765 15.762 15.602 1.00 11.15 C ATOM 384 C GLY A 27 18.347 16.275 15.452 1.00 14.42 C ATOM 385 O GLY A 27 17.425 15.773 16.096 1.00 53.25 O ATOM 0 H GLY A 27 21.347 16.663 14.566 1.00 11.32 H new ATOM 0 HA2 GLY A 27 19.741 14.691 15.801 1.00 11.15 H new ATOM 0 HA3 GLY A 27 20.230 16.236 16.466 1.00 11.15 H new ATOM 389 N LYS A 28 18.170 17.281 14.601 1.00 31.44 N ATOM 390 CA LYS A 28 16.854 17.864 14.368 1.00 21.10 C ATOM 391 C LYS A 28 15.858 16.798 13.922 1.00 40.31 C ATOM 392 O LYS A 28 14.692 16.821 14.315 1.00 55.31 O ATOM 393 CB LYS A 28 16.943 18.968 13.312 1.00 10.01 C ATOM 394 CG LYS A 28 16.446 20.318 13.800 1.00 32.32 C ATOM 395 CD LYS A 28 17.326 20.868 14.910 1.00 13.10 C ATOM 396 CE LYS A 28 16.670 20.706 16.273 1.00 25.20 C ATOM 397 NZ LYS A 28 16.958 21.861 17.168 1.00 52.03 N ATOM 0 H LYS A 28 18.922 17.709 14.061 1.00 31.44 H new ATOM 0 HA LYS A 28 16.503 18.294 15.306 1.00 21.10 H new ATOM 0 HB2 LYS A 28 17.979 19.067 12.988 1.00 10.01 H new ATOM 0 HB3 LYS A 28 16.363 18.671 12.438 1.00 10.01 H new ATOM 0 HG2 LYS A 28 16.426 21.022 12.968 1.00 32.32 H new ATOM 0 HG3 LYS A 28 15.422 20.221 14.160 1.00 32.32 H new ATOM 0 HD2 LYS A 28 18.286 20.353 14.904 1.00 13.10 H new ATOM 0 HD3 LYS A 28 17.529 21.923 14.726 1.00 13.10 H new ATOM 0 HE2 LYS A 28 15.592 20.604 16.147 1.00 25.20 H new ATOM 0 HE3 LYS A 28 17.025 19.787 16.740 1.00 25.20 H new ATOM 0 HZ1 LYS A 28 16.494 21.713 18.087 1.00 52.03 H new ATOM 0 HZ2 LYS A 28 17.985 21.944 17.309 1.00 52.03 H new ATOM 0 HZ3 LYS A 28 16.597 22.735 16.735 1.00 52.03 H new ATOM 411 N VAL A 29 16.326 15.864 13.100 1.00 51.20 N ATOM 412 CA VAL A 29 15.477 14.788 12.603 1.00 53.43 C ATOM 413 C VAL A 29 14.806 14.043 13.751 1.00 74.23 C ATOM 414 O VAL A 29 13.682 13.558 13.617 1.00 53.41 O ATOM 415 CB VAL A 29 16.281 13.786 11.754 1.00 75.50 C ATOM 416 CG1 VAL A 29 17.157 12.916 12.642 1.00 3.23 C ATOM 417 CG2 VAL A 29 15.345 12.930 10.913 1.00 22.00 C ATOM 0 H VAL A 29 17.289 15.831 12.764 1.00 51.20 H new ATOM 0 HA VAL A 29 14.713 15.250 11.978 1.00 53.43 H new ATOM 0 HB VAL A 29 16.930 14.346 11.080 1.00 75.50 H new ATOM 0 HG11 VAL A 29 17.718 12.214 12.025 1.00 3.23 H new ATOM 0 HG12 VAL A 29 17.852 13.546 13.197 1.00 3.23 H new ATOM 0 HG13 VAL A 29 16.530 12.363 13.342 1.00 3.23 H new ATOM 0 HG21 VAL A 29 15.930 12.227 10.319 1.00 22.00 H new ATOM 0 HG22 VAL A 29 14.670 12.378 11.567 1.00 22.00 H new ATOM 0 HG23 VAL A 29 14.764 13.570 10.249 1.00 22.00 H new ATOM 427 N ARG A 30 15.502 13.955 14.879 1.00 20.22 N ATOM 428 CA ARG A 30 14.974 13.267 16.051 1.00 12.33 C ATOM 429 C ARG A 30 13.746 13.989 16.598 1.00 53.53 C ATOM 430 O ARG A 30 12.895 13.384 17.250 1.00 0.24 O ATOM 431 CB ARG A 30 16.046 13.169 17.138 1.00 43.22 C ATOM 432 CG ARG A 30 15.647 12.288 18.310 1.00 13.32 C ATOM 433 CD ARG A 30 16.865 11.723 19.023 1.00 3.33 C ATOM 434 NE ARG A 30 17.613 12.758 19.732 1.00 45.21 N ATOM 435 CZ ARG A 30 18.549 12.498 20.638 1.00 11.25 C ATOM 436 NH1 ARG A 30 18.849 11.244 20.945 1.00 65.33 N ATOM 437 NH2 ARG A 30 19.186 13.494 21.240 1.00 2.34 N ATOM 0 H ARG A 30 16.433 14.351 15.007 1.00 20.22 H new ATOM 0 HA ARG A 30 14.680 12.262 15.749 1.00 12.33 H new ATOM 0 HB2 ARG A 30 16.963 12.779 16.697 1.00 43.22 H new ATOM 0 HB3 ARG A 30 16.270 14.170 17.507 1.00 43.22 H new ATOM 0 HG2 ARG A 30 15.048 12.866 19.014 1.00 13.32 H new ATOM 0 HG3 ARG A 30 15.020 11.470 17.955 1.00 13.32 H new ATOM 0 HD2 ARG A 30 16.548 10.956 19.730 1.00 3.33 H new ATOM 0 HD3 ARG A 30 17.517 11.237 18.297 1.00 3.33 H new ATOM 0 HE ARG A 30 17.405 13.734 19.520 1.00 45.21 H new ATOM 0 HH11 ARG A 30 18.361 10.476 20.485 1.00 65.33 H new ATOM 0 HH12 ARG A 30 19.568 11.047 21.641 1.00 65.33 H new ATOM 0 HH21 ARG A 30 18.957 14.460 21.007 1.00 2.34 H new ATOM 0 HH22 ARG A 30 19.905 13.293 21.936 1.00 2.34 H new ATOM 451 N LYS A 31 13.660 15.287 16.327 1.00 51.51 N ATOM 452 CA LYS A 31 12.536 16.093 16.790 1.00 44.52 C ATOM 453 C LYS A 31 11.438 16.154 15.733 1.00 62.11 C ATOM 454 O LYS A 31 10.300 16.521 16.026 1.00 14.04 O ATOM 455 CB LYS A 31 13.005 17.509 17.135 1.00 64.32 C ATOM 456 CG LYS A 31 14.201 17.542 18.072 1.00 55.15 C ATOM 457 CD LYS A 31 13.820 17.105 19.476 1.00 3.23 C ATOM 458 CE LYS A 31 13.210 18.250 20.270 1.00 3.22 C ATOM 459 NZ LYS A 31 14.197 19.336 20.525 1.00 50.11 N ATOM 0 H LYS A 31 14.356 15.804 15.789 1.00 51.51 H new ATOM 0 HA LYS A 31 12.129 15.623 17.685 1.00 44.52 H new ATOM 0 HB2 LYS A 31 13.261 18.033 16.214 1.00 64.32 H new ATOM 0 HB3 LYS A 31 12.180 18.055 17.593 1.00 64.32 H new ATOM 0 HG2 LYS A 31 14.985 16.890 17.687 1.00 55.15 H new ATOM 0 HG3 LYS A 31 14.613 18.551 18.103 1.00 55.15 H new ATOM 0 HD2 LYS A 31 13.110 16.280 19.421 1.00 3.23 H new ATOM 0 HD3 LYS A 31 14.703 16.731 19.994 1.00 3.23 H new ATOM 0 HE2 LYS A 31 12.357 18.655 19.726 1.00 3.22 H new ATOM 0 HE3 LYS A 31 12.832 17.872 21.220 1.00 3.22 H new ATOM 0 HZ1 LYS A 31 13.910 19.875 21.367 1.00 50.11 H new ATOM 0 HZ2 LYS A 31 15.137 18.920 20.684 1.00 50.11 H new ATOM 0 HZ3 LYS A 31 14.234 19.972 19.703 1.00 50.11 H new ATOM 473 N LEU A 32 11.786 15.790 14.503 1.00 1.55 N ATOM 474 CA LEU A 32 10.829 15.802 13.403 1.00 70.14 C ATOM 475 C LEU A 32 9.894 14.599 13.481 1.00 24.11 C ATOM 476 O LEU A 32 10.331 13.478 13.741 1.00 44.13 O ATOM 477 CB LEU A 32 11.564 15.804 12.061 1.00 5.04 C ATOM 478 CG LEU A 32 11.862 17.179 11.461 1.00 20.42 C ATOM 479 CD1 LEU A 32 10.569 17.902 11.117 1.00 63.35 C ATOM 480 CD2 LEU A 32 12.700 18.010 12.421 1.00 24.45 C ATOM 0 H LEU A 32 12.723 15.483 14.243 1.00 1.55 H new ATOM 0 HA LEU A 32 10.231 16.710 13.485 1.00 70.14 H new ATOM 0 HB2 LEU A 32 12.507 15.272 12.185 1.00 5.04 H new ATOM 0 HB3 LEU A 32 10.970 15.238 11.343 1.00 5.04 H new ATOM 0 HG LEU A 32 12.431 17.038 10.542 1.00 20.42 H new ATOM 0 HD11 LEU A 32 10.800 18.878 10.691 1.00 63.35 H new ATOM 0 HD12 LEU A 32 10.005 17.314 10.392 1.00 63.35 H new ATOM 0 HD13 LEU A 32 9.973 18.032 12.021 1.00 63.35 H new ATOM 0 HD21 LEU A 32 12.902 18.985 11.977 1.00 24.45 H new ATOM 0 HD22 LEU A 32 12.157 18.143 13.357 1.00 24.45 H new ATOM 0 HD23 LEU A 32 13.642 17.499 12.618 1.00 24.45 H new ATOM 492 N GLN A 33 8.607 14.840 13.253 1.00 45.00 N ATOM 493 CA GLN A 33 7.612 13.776 13.297 1.00 71.44 C ATOM 494 C GLN A 33 7.508 13.071 11.948 1.00 44.53 C ATOM 495 O GLN A 33 7.477 11.844 11.878 1.00 65.42 O ATOM 496 CB GLN A 33 6.248 14.340 13.696 1.00 12.45 C ATOM 497 CG GLN A 33 5.733 15.414 12.752 1.00 42.44 C ATOM 498 CD GLN A 33 4.499 16.116 13.282 1.00 33.05 C ATOM 499 OE1 GLN A 33 3.387 15.595 13.191 1.00 53.03 O ATOM 500 NE2 GLN A 33 4.688 17.305 13.842 1.00 10.13 N ATOM 0 H GLN A 33 8.229 15.762 13.036 1.00 45.00 H new ATOM 0 HA GLN A 33 7.929 13.048 14.044 1.00 71.44 H new ATOM 0 HB2 GLN A 33 5.525 13.525 13.735 1.00 12.45 H new ATOM 0 HB3 GLN A 33 6.316 14.754 14.702 1.00 12.45 H new ATOM 0 HG2 GLN A 33 6.519 16.149 12.581 1.00 42.44 H new ATOM 0 HG3 GLN A 33 5.503 14.963 11.786 1.00 42.44 H new ATOM 0 HE21 GLN A 33 5.627 17.700 13.896 1.00 10.13 H new ATOM 0 HE22 GLN A 33 3.894 17.824 14.218 1.00 10.13 H new ATOM 509 N GLY A 34 7.455 13.858 10.877 1.00 14.52 N ATOM 510 CA GLY A 34 7.354 13.292 9.545 1.00 45.53 C ATOM 511 C GLY A 34 8.712 13.027 8.924 1.00 13.20 C ATOM 512 O GLY A 34 8.980 11.924 8.448 1.00 20.23 O ATOM 0 H GLY A 34 7.480 14.877 10.909 1.00 14.52 H new ATOM 0 HA2 GLY A 34 6.791 12.360 9.591 1.00 45.53 H new ATOM 0 HA3 GLY A 34 6.792 13.973 8.906 1.00 45.53 H new ATOM 516 N VAL A 35 9.570 14.042 8.927 1.00 65.24 N ATOM 517 CA VAL A 35 10.907 13.913 8.359 1.00 43.31 C ATOM 518 C VAL A 35 11.562 12.604 8.785 1.00 73.12 C ATOM 519 O VAL A 35 11.541 12.240 9.961 1.00 55.42 O ATOM 520 CB VAL A 35 11.811 15.087 8.780 1.00 2.14 C ATOM 521 CG1 VAL A 35 13.024 14.579 9.546 1.00 53.43 C ATOM 522 CG2 VAL A 35 12.238 15.894 7.563 1.00 20.14 C ATOM 0 H VAL A 35 9.364 14.962 9.316 1.00 65.24 H new ATOM 0 HA VAL A 35 10.792 13.922 7.275 1.00 43.31 H new ATOM 0 HB VAL A 35 11.242 15.742 9.440 1.00 2.14 H new ATOM 0 HG11 VAL A 35 13.651 15.422 9.835 1.00 53.43 H new ATOM 0 HG12 VAL A 35 12.694 14.049 10.439 1.00 53.43 H new ATOM 0 HG13 VAL A 35 13.597 13.901 8.913 1.00 53.43 H new ATOM 0 HG21 VAL A 35 12.876 16.719 7.879 1.00 20.14 H new ATOM 0 HG22 VAL A 35 12.789 15.252 6.876 1.00 20.14 H new ATOM 0 HG23 VAL A 35 11.355 16.290 7.061 1.00 20.14 H new ATOM 532 N VAL A 36 12.144 11.898 7.820 1.00 13.42 N ATOM 533 CA VAL A 36 12.807 10.629 8.095 1.00 55.11 C ATOM 534 C VAL A 36 14.290 10.834 8.382 1.00 14.41 C ATOM 535 O VAL A 36 14.831 10.273 9.335 1.00 44.15 O ATOM 536 CB VAL A 36 12.654 9.650 6.916 1.00 31.51 C ATOM 537 CG1 VAL A 36 12.905 8.221 7.373 1.00 33.42 C ATOM 538 CG2 VAL A 36 11.275 9.783 6.288 1.00 32.12 C ATOM 0 H VAL A 36 12.170 12.184 6.841 1.00 13.42 H new ATOM 0 HA VAL A 36 12.325 10.204 8.976 1.00 55.11 H new ATOM 0 HB VAL A 36 13.398 9.901 6.160 1.00 31.51 H new ATOM 0 HG11 VAL A 36 12.793 7.543 6.527 1.00 33.42 H new ATOM 0 HG12 VAL A 36 13.916 8.139 7.772 1.00 33.42 H new ATOM 0 HG13 VAL A 36 12.186 7.955 8.148 1.00 33.42 H new ATOM 0 HG21 VAL A 36 11.185 9.084 5.457 1.00 32.12 H new ATOM 0 HG22 VAL A 36 10.512 9.560 7.034 1.00 32.12 H new ATOM 0 HG23 VAL A 36 11.138 10.801 5.923 1.00 32.12 H new ATOM 548 N ARG A 37 14.941 11.643 7.552 1.00 31.14 N ATOM 549 CA ARG A 37 16.362 11.922 7.717 1.00 44.23 C ATOM 550 C ARG A 37 16.786 13.110 6.858 1.00 51.13 C ATOM 551 O ARG A 37 16.126 13.445 5.874 1.00 12.10 O ATOM 552 CB ARG A 37 17.192 10.691 7.348 1.00 72.14 C ATOM 553 CG ARG A 37 18.184 10.280 8.423 1.00 4.41 C ATOM 554 CD ARG A 37 19.215 9.300 7.885 1.00 35.44 C ATOM 555 NE ARG A 37 18.719 7.926 7.893 1.00 32.14 N ATOM 556 CZ ARG A 37 19.241 6.952 7.156 1.00 30.14 C ATOM 557 NH1 ARG A 37 20.270 7.199 6.357 1.00 15.42 N ATOM 558 NH2 ARG A 37 18.734 5.727 7.218 1.00 25.05 N ATOM 0 H ARG A 37 14.507 12.116 6.759 1.00 31.14 H new ATOM 0 HA ARG A 37 16.538 12.170 8.764 1.00 44.23 H new ATOM 0 HB2 ARG A 37 16.520 9.857 7.148 1.00 72.14 H new ATOM 0 HB3 ARG A 37 17.734 10.892 6.424 1.00 72.14 H new ATOM 0 HG2 ARG A 37 18.689 11.165 8.811 1.00 4.41 H new ATOM 0 HG3 ARG A 37 17.650 9.826 9.258 1.00 4.41 H new ATOM 0 HD2 ARG A 37 19.487 9.582 6.868 1.00 35.44 H new ATOM 0 HD3 ARG A 37 20.122 9.362 8.486 1.00 35.44 H new ATOM 0 HE ARG A 37 17.929 7.702 8.498 1.00 32.14 H new ATOM 0 HH11 ARG A 37 20.663 8.139 6.307 1.00 15.42 H new ATOM 0 HH12 ARG A 37 20.669 6.449 5.792 1.00 15.42 H new ATOM 0 HH21 ARG A 37 17.943 5.533 7.832 1.00 25.05 H new ATOM 0 HH22 ARG A 37 19.135 4.980 6.652 1.00 25.05 H new ATOM 572 N VAL A 38 17.891 13.744 7.237 1.00 61.11 N ATOM 573 CA VAL A 38 18.403 14.894 6.502 1.00 43.04 C ATOM 574 C VAL A 38 19.876 14.711 6.152 1.00 52.14 C ATOM 575 O VAL A 38 20.711 14.487 7.028 1.00 11.11 O ATOM 576 CB VAL A 38 18.237 16.196 7.308 1.00 35.52 C ATOM 577 CG1 VAL A 38 18.677 17.395 6.483 1.00 12.34 C ATOM 578 CG2 VAL A 38 16.796 16.355 7.770 1.00 73.05 C ATOM 0 H VAL A 38 18.449 13.480 8.049 1.00 61.11 H new ATOM 0 HA VAL A 38 17.820 14.967 5.584 1.00 43.04 H new ATOM 0 HB VAL A 38 18.874 16.141 8.191 1.00 35.52 H new ATOM 0 HG11 VAL A 38 18.552 18.305 7.069 1.00 12.34 H new ATOM 0 HG12 VAL A 38 19.725 17.282 6.207 1.00 12.34 H new ATOM 0 HG13 VAL A 38 18.069 17.458 5.580 1.00 12.34 H new ATOM 0 HG21 VAL A 38 16.696 17.280 8.338 1.00 73.05 H new ATOM 0 HG22 VAL A 38 16.137 16.389 6.902 1.00 73.05 H new ATOM 0 HG23 VAL A 38 16.521 15.510 8.401 1.00 73.05 H new ATOM 588 N LYS A 39 20.189 14.809 4.864 1.00 74.41 N ATOM 589 CA LYS A 39 21.561 14.656 4.396 1.00 60.03 C ATOM 590 C LYS A 39 22.078 15.958 3.793 1.00 4.34 C ATOM 591 O LYS A 39 21.495 16.493 2.850 1.00 31.33 O ATOM 592 CB LYS A 39 21.646 13.533 3.359 1.00 2.14 C ATOM 593 CG LYS A 39 22.339 12.283 3.873 1.00 64.12 C ATOM 594 CD LYS A 39 23.840 12.343 3.643 1.00 42.12 C ATOM 595 CE LYS A 39 24.568 12.898 4.857 1.00 4.32 C ATOM 596 NZ LYS A 39 25.912 12.279 5.029 1.00 13.15 N ATOM 0 H LYS A 39 19.510 14.994 4.126 1.00 74.41 H new ATOM 0 HA LYS A 39 22.184 14.399 5.253 1.00 60.03 H new ATOM 0 HB2 LYS A 39 20.639 13.273 3.034 1.00 2.14 H new ATOM 0 HB3 LYS A 39 22.179 13.899 2.482 1.00 2.14 H new ATOM 0 HG2 LYS A 39 22.138 12.166 4.938 1.00 64.12 H new ATOM 0 HG3 LYS A 39 21.928 11.406 3.373 1.00 64.12 H new ATOM 0 HD2 LYS A 39 24.215 11.345 3.418 1.00 42.12 H new ATOM 0 HD3 LYS A 39 24.051 12.966 2.774 1.00 42.12 H new ATOM 0 HE2 LYS A 39 24.676 13.978 4.753 1.00 4.32 H new ATOM 0 HE3 LYS A 39 23.970 12.722 5.751 1.00 4.32 H new ATOM 0 HZ1 LYS A 39 26.376 12.684 5.867 1.00 13.15 H new ATOM 0 HZ2 LYS A 39 25.808 11.252 5.153 1.00 13.15 H new ATOM 0 HZ3 LYS A 39 26.492 12.469 4.187 1.00 13.15 H new ATOM 610 N VAL A 40 23.178 16.464 4.343 1.00 30.24 N ATOM 611 CA VAL A 40 23.775 17.702 3.859 1.00 45.24 C ATOM 612 C VAL A 40 25.132 17.442 3.213 1.00 31.01 C ATOM 613 O VAL A 40 25.953 16.698 3.749 1.00 61.45 O ATOM 614 CB VAL A 40 23.949 18.725 4.997 1.00 53.10 C ATOM 615 CG1 VAL A 40 24.371 20.076 4.441 1.00 2.51 C ATOM 616 CG2 VAL A 40 22.664 18.849 5.802 1.00 72.52 C ATOM 0 H VAL A 40 23.673 16.035 5.124 1.00 30.24 H new ATOM 0 HA VAL A 40 23.093 18.111 3.114 1.00 45.24 H new ATOM 0 HB VAL A 40 24.736 18.371 5.663 1.00 53.10 H new ATOM 0 HG11 VAL A 40 24.489 20.786 5.260 1.00 2.51 H new ATOM 0 HG12 VAL A 40 25.318 19.972 3.912 1.00 2.51 H new ATOM 0 HG13 VAL A 40 23.609 20.440 3.752 1.00 2.51 H new ATOM 0 HG21 VAL A 40 22.805 19.576 6.602 1.00 72.52 H new ATOM 0 HG22 VAL A 40 21.856 19.180 5.149 1.00 72.52 H new ATOM 0 HG23 VAL A 40 22.409 17.880 6.232 1.00 72.52 H new ATOM 626 N SER A 41 25.361 18.061 2.059 1.00 35.12 N ATOM 627 CA SER A 41 26.617 17.894 1.338 1.00 31.10 C ATOM 628 C SER A 41 27.429 19.185 1.355 1.00 10.43 C ATOM 629 O SER A 41 27.091 20.154 0.673 1.00 5.14 O ATOM 630 CB SER A 41 26.347 17.467 -0.106 1.00 65.21 C ATOM 631 OG SER A 41 27.541 17.049 -0.746 1.00 2.24 O ATOM 0 H SER A 41 24.693 18.683 1.604 1.00 35.12 H new ATOM 0 HA SER A 41 27.194 17.116 1.838 1.00 31.10 H new ATOM 0 HB2 SER A 41 25.620 16.655 -0.119 1.00 65.21 H new ATOM 0 HB3 SER A 41 25.906 18.297 -0.658 1.00 65.21 H new ATOM 0 HG SER A 41 27.342 16.780 -1.667 1.00 2.24 H new ATOM 637 N LEU A 42 28.501 19.192 2.139 1.00 22.15 N ATOM 638 CA LEU A 42 29.363 20.364 2.247 1.00 63.20 C ATOM 639 C LEU A 42 30.106 20.615 0.939 1.00 65.12 C ATOM 640 O LEU A 42 30.425 21.756 0.603 1.00 31.33 O ATOM 641 CB LEU A 42 30.365 20.182 3.389 1.00 72.42 C ATOM 642 CG LEU A 42 31.452 19.129 3.167 1.00 53.32 C ATOM 643 CD1 LEU A 42 32.664 19.749 2.489 1.00 72.25 C ATOM 644 CD2 LEU A 42 31.848 18.485 4.487 1.00 3.43 C ATOM 0 H LEU A 42 28.794 18.399 2.710 1.00 22.15 H new ATOM 0 HA LEU A 42 28.734 21.229 2.459 1.00 63.20 H new ATOM 0 HB2 LEU A 42 30.849 21.140 3.577 1.00 72.42 H new ATOM 0 HB3 LEU A 42 29.813 19.921 4.292 1.00 72.42 H new ATOM 0 HG LEU A 42 31.053 18.354 2.513 1.00 53.32 H new ATOM 0 HD11 LEU A 42 33.427 18.985 2.339 1.00 72.25 H new ATOM 0 HD12 LEU A 42 32.370 20.162 1.524 1.00 72.25 H new ATOM 0 HD13 LEU A 42 33.065 20.544 3.117 1.00 72.25 H new ATOM 0 HD21 LEU A 42 32.622 17.738 4.310 1.00 3.43 H new ATOM 0 HD22 LEU A 42 32.229 19.249 5.165 1.00 3.43 H new ATOM 0 HD23 LEU A 42 30.977 18.005 4.934 1.00 3.43 H new ATOM 656 N SER A 43 30.378 19.542 0.203 1.00 71.21 N ATOM 657 CA SER A 43 31.085 19.646 -1.068 1.00 71.52 C ATOM 658 C SER A 43 30.200 20.289 -2.131 1.00 74.43 C ATOM 659 O SER A 43 30.688 20.964 -3.036 1.00 4.22 O ATOM 660 CB SER A 43 31.541 18.262 -1.537 1.00 10.34 C ATOM 661 OG SER A 43 32.430 18.363 -2.636 1.00 12.54 O ATOM 0 H SER A 43 30.119 18.591 0.465 1.00 71.21 H new ATOM 0 HA SER A 43 31.960 20.278 -0.918 1.00 71.52 H new ATOM 0 HB2 SER A 43 32.031 17.740 -0.716 1.00 10.34 H new ATOM 0 HB3 SER A 43 30.673 17.667 -1.821 1.00 10.34 H new ATOM 0 HG SER A 43 32.708 17.466 -2.916 1.00 12.54 H new ATOM 667 N ASN A 44 28.893 20.073 -2.014 1.00 64.44 N ATOM 668 CA ASN A 44 27.938 20.630 -2.965 1.00 44.13 C ATOM 669 C ASN A 44 27.258 21.869 -2.390 1.00 60.41 C ATOM 670 O ASN A 44 26.434 22.499 -3.052 1.00 10.11 O ATOM 671 CB ASN A 44 26.887 19.583 -3.337 1.00 34.10 C ATOM 672 CG ASN A 44 26.837 19.318 -4.829 1.00 55.24 C ATOM 673 OD1 ASN A 44 26.990 20.233 -5.639 1.00 21.02 O ATOM 674 ND2 ASN A 44 26.620 18.062 -5.200 1.00 65.52 N ATOM 0 H ASN A 44 28.472 19.516 -1.270 1.00 64.44 H new ATOM 0 HA ASN A 44 28.484 20.921 -3.863 1.00 44.13 H new ATOM 0 HB2 ASN A 44 27.104 18.652 -2.813 1.00 34.10 H new ATOM 0 HB3 ASN A 44 25.907 19.919 -2.998 1.00 34.10 H new ATOM 0 HD21 ASN A 44 26.574 17.823 -6.191 1.00 65.52 H new ATOM 0 HD22 ASN A 44 26.499 17.335 -4.494 1.00 65.52 H new ATOM 681 N GLN A 45 27.610 22.210 -1.155 1.00 12.42 N ATOM 682 CA GLN A 45 27.033 23.373 -0.491 1.00 12.40 C ATOM 683 C GLN A 45 25.510 23.347 -0.573 1.00 42.52 C ATOM 684 O GLN A 45 24.874 24.378 -0.791 1.00 71.10 O ATOM 685 CB GLN A 45 27.567 24.662 -1.118 1.00 4.22 C ATOM 686 CG GLN A 45 29.078 24.676 -1.286 1.00 2.14 C ATOM 687 CD GLN A 45 29.607 26.035 -1.700 1.00 50.02 C ATOM 688 OE1 GLN A 45 29.157 27.067 -1.203 1.00 15.43 O ATOM 689 NE2 GLN A 45 30.568 26.042 -2.616 1.00 44.21 N ATOM 0 H GLN A 45 28.291 21.698 -0.594 1.00 12.42 H new ATOM 0 HA GLN A 45 27.323 23.341 0.559 1.00 12.40 H new ATOM 0 HB2 GLN A 45 27.100 24.803 -2.093 1.00 4.22 H new ATOM 0 HB3 GLN A 45 27.271 25.508 -0.498 1.00 4.22 H new ATOM 0 HG2 GLN A 45 29.547 24.378 -0.348 1.00 2.14 H new ATOM 0 HG3 GLN A 45 29.363 23.936 -2.034 1.00 2.14 H new ATOM 0 HE21 GLN A 45 30.912 25.162 -3.001 1.00 44.21 H new ATOM 0 HE22 GLN A 45 30.963 26.927 -2.934 1.00 44.21 H new ATOM 698 N GLU A 46 24.933 22.163 -0.398 1.00 30.22 N ATOM 699 CA GLU A 46 23.485 22.004 -0.454 1.00 34.22 C ATOM 700 C GLU A 46 22.979 21.198 0.740 1.00 41.42 C ATOM 701 O GLU A 46 23.760 20.566 1.451 1.00 53.42 O ATOM 702 CB GLU A 46 23.075 21.316 -1.758 1.00 33.24 C ATOM 703 CG GLU A 46 23.142 19.799 -1.693 1.00 12.32 C ATOM 704 CD GLU A 46 23.500 19.174 -3.027 1.00 31.42 C ATOM 705 OE1 GLU A 46 23.403 19.874 -4.056 1.00 62.32 O ATOM 706 OE2 GLU A 46 23.877 17.983 -3.041 1.00 2.13 O ATOM 0 H GLU A 46 25.446 21.300 -0.216 1.00 30.22 H new ATOM 0 HA GLU A 46 23.035 22.996 -0.418 1.00 34.22 H new ATOM 0 HB2 GLU A 46 22.059 21.616 -2.013 1.00 33.24 H new ATOM 0 HB3 GLU A 46 23.722 21.666 -2.563 1.00 33.24 H new ATOM 0 HG2 GLU A 46 23.880 19.503 -0.948 1.00 12.32 H new ATOM 0 HG3 GLU A 46 22.180 19.410 -1.360 1.00 12.32 H new ATOM 713 N ALA A 47 21.668 21.227 0.953 1.00 53.22 N ATOM 714 CA ALA A 47 21.057 20.499 2.058 1.00 2.44 C ATOM 715 C ALA A 47 19.874 19.665 1.580 1.00 61.04 C ATOM 716 O ALA A 47 18.952 20.182 0.948 1.00 21.41 O ATOM 717 CB ALA A 47 20.617 21.466 3.148 1.00 42.33 C ATOM 0 H ALA A 47 21.008 21.747 0.375 1.00 53.22 H new ATOM 0 HA ALA A 47 21.804 19.820 2.469 1.00 2.44 H new ATOM 0 HB1 ALA A 47 20.162 20.909 3.967 1.00 42.33 H new ATOM 0 HB2 ALA A 47 21.483 22.015 3.519 1.00 42.33 H new ATOM 0 HB3 ALA A 47 19.890 22.168 2.740 1.00 42.33 H new ATOM 723 N VAL A 48 19.907 18.371 1.884 1.00 54.35 N ATOM 724 CA VAL A 48 18.837 17.465 1.484 1.00 15.04 C ATOM 725 C VAL A 48 17.991 17.051 2.684 1.00 40.15 C ATOM 726 O VAL A 48 18.520 16.634 3.714 1.00 0.34 O ATOM 727 CB VAL A 48 19.396 16.202 0.804 1.00 73.52 C ATOM 728 CG1 VAL A 48 18.281 15.427 0.117 1.00 42.22 C ATOM 729 CG2 VAL A 48 20.489 16.570 -0.187 1.00 41.44 C ATOM 0 H VAL A 48 20.663 17.927 2.406 1.00 54.35 H new ATOM 0 HA VAL A 48 18.213 18.006 0.772 1.00 15.04 H new ATOM 0 HB VAL A 48 19.833 15.561 1.570 1.00 73.52 H new ATOM 0 HG11 VAL A 48 18.695 14.538 -0.358 1.00 42.22 H new ATOM 0 HG12 VAL A 48 17.536 15.130 0.855 1.00 42.22 H new ATOM 0 HG13 VAL A 48 17.812 16.057 -0.639 1.00 42.22 H new ATOM 0 HG21 VAL A 48 20.873 15.665 -0.658 1.00 41.44 H new ATOM 0 HG22 VAL A 48 20.080 17.231 -0.951 1.00 41.44 H new ATOM 0 HG23 VAL A 48 21.299 17.078 0.337 1.00 41.44 H new ATOM 739 N ILE A 49 16.675 17.168 2.541 1.00 2.44 N ATOM 740 CA ILE A 49 15.756 16.805 3.613 1.00 61.33 C ATOM 741 C ILE A 49 14.763 15.745 3.149 1.00 54.14 C ATOM 742 O ILE A 49 13.952 15.987 2.254 1.00 73.02 O ATOM 743 CB ILE A 49 14.979 18.030 4.128 1.00 51.40 C ATOM 744 CG1 ILE A 49 15.947 19.156 4.501 1.00 75.54 C ATOM 745 CG2 ILE A 49 14.118 17.648 5.322 1.00 32.35 C ATOM 746 CD1 ILE A 49 15.842 20.366 3.599 1.00 20.30 C ATOM 0 H ILE A 49 16.222 17.511 1.694 1.00 2.44 H new ATOM 0 HA ILE A 49 16.361 16.402 4.425 1.00 61.33 H new ATOM 0 HB ILE A 49 14.325 18.387 3.333 1.00 51.40 H new ATOM 0 HG12 ILE A 49 15.757 19.462 5.530 1.00 75.54 H new ATOM 0 HG13 ILE A 49 16.967 18.774 4.466 1.00 75.54 H new ATOM 0 HG21 ILE A 49 13.575 18.525 5.674 1.00 32.35 H new ATOM 0 HG22 ILE A 49 13.408 16.876 5.026 1.00 32.35 H new ATOM 0 HG23 ILE A 49 14.753 17.269 6.122 1.00 32.35 H new ATOM 0 HD11 ILE A 49 16.556 21.123 3.922 1.00 20.30 H new ATOM 0 HD12 ILE A 49 16.062 20.074 2.572 1.00 20.30 H new ATOM 0 HD13 ILE A 49 14.832 20.773 3.653 1.00 20.30 H new ATOM 758 N THR A 50 14.830 14.569 3.764 1.00 33.43 N ATOM 759 CA THR A 50 13.936 13.471 3.415 1.00 1.44 C ATOM 760 C THR A 50 12.756 13.397 4.377 1.00 33.30 C ATOM 761 O THR A 50 12.936 13.275 5.589 1.00 44.22 O ATOM 762 CB THR A 50 14.676 12.120 3.423 1.00 51.42 C ATOM 763 OG1 THR A 50 15.829 12.189 2.576 1.00 31.53 O ATOM 764 CG2 THR A 50 13.761 11.000 2.953 1.00 71.33 C ATOM 0 H THR A 50 15.494 14.352 4.507 1.00 33.43 H new ATOM 0 HA THR A 50 13.569 13.670 2.408 1.00 1.44 H new ATOM 0 HB THR A 50 14.989 11.907 4.445 1.00 51.42 H new ATOM 0 HG1 THR A 50 16.295 11.327 2.587 1.00 31.53 H new ATOM 0 HG21 THR A 50 14.305 10.056 2.967 1.00 71.33 H new ATOM 0 HG22 THR A 50 12.899 10.932 3.616 1.00 71.33 H new ATOM 0 HG23 THR A 50 13.422 11.209 1.938 1.00 71.33 H new ATOM 772 N TYR A 51 11.548 13.469 3.830 1.00 55.52 N ATOM 773 CA TYR A 51 10.337 13.412 4.640 1.00 33.30 C ATOM 774 C TYR A 51 9.292 12.506 3.995 1.00 50.43 C ATOM 775 O TYR A 51 9.501 11.982 2.901 1.00 32.12 O ATOM 776 CB TYR A 51 9.761 14.815 4.835 1.00 51.41 C ATOM 777 CG TYR A 51 8.971 15.316 3.647 1.00 12.10 C ATOM 778 CD1 TYR A 51 9.566 15.452 2.399 1.00 70.10 C ATOM 779 CD2 TYR A 51 7.628 15.652 3.773 1.00 45.53 C ATOM 780 CE1 TYR A 51 8.848 15.910 1.311 1.00 30.23 C ATOM 781 CE2 TYR A 51 6.902 16.110 2.690 1.00 23.31 C ATOM 782 CZ TYR A 51 7.517 16.237 1.462 1.00 54.23 C ATOM 783 OH TYR A 51 6.798 16.692 0.380 1.00 15.23 O ATOM 0 H TYR A 51 11.381 13.567 2.829 1.00 55.52 H new ATOM 0 HA TYR A 51 10.601 12.997 5.613 1.00 33.30 H new ATOM 0 HB2 TYR A 51 9.118 14.815 5.715 1.00 51.41 H new ATOM 0 HB3 TYR A 51 10.577 15.509 5.037 1.00 51.41 H new ATOM 0 HD1 TYR A 51 10.608 15.195 2.277 1.00 70.10 H new ATOM 0 HD2 TYR A 51 7.144 15.553 4.733 1.00 45.53 H new ATOM 0 HE1 TYR A 51 9.326 16.011 0.348 1.00 30.23 H new ATOM 0 HE2 TYR A 51 5.859 16.367 2.804 1.00 23.31 H new ATOM 0 HH TYR A 51 5.963 16.184 0.305 1.00 15.23 H new ATOM 793 N GLN A 52 8.167 12.329 4.680 1.00 3.25 N ATOM 794 CA GLN A 52 7.089 11.488 4.175 1.00 63.42 C ATOM 795 C GLN A 52 5.822 12.305 3.946 1.00 62.10 C ATOM 796 O GLN A 52 5.447 13.154 4.755 1.00 22.32 O ATOM 797 CB GLN A 52 6.804 10.346 5.152 1.00 64.42 C ATOM 798 CG GLN A 52 7.813 9.211 5.073 1.00 43.33 C ATOM 799 CD GLN A 52 7.874 8.395 6.348 1.00 25.44 C ATOM 800 OE1 GLN A 52 8.950 8.172 6.906 1.00 53.22 O ATOM 801 NE2 GLN A 52 6.718 7.943 6.818 1.00 33.25 N ATOM 0 H GLN A 52 7.979 12.757 5.586 1.00 3.25 H new ATOM 0 HA GLN A 52 7.406 11.069 3.220 1.00 63.42 H new ATOM 0 HB2 GLN A 52 6.794 10.742 6.168 1.00 64.42 H new ATOM 0 HB3 GLN A 52 5.808 9.950 4.954 1.00 64.42 H new ATOM 0 HG2 GLN A 52 7.554 8.557 4.240 1.00 43.33 H new ATOM 0 HG3 GLN A 52 8.800 9.622 4.861 1.00 43.33 H new ATOM 0 HE21 GLN A 52 5.850 8.151 6.324 1.00 33.25 H new ATOM 0 HE22 GLN A 52 6.697 7.387 7.673 1.00 33.25 H new ATOM 810 N PRO A 53 5.146 12.045 2.817 1.00 12.32 N ATOM 811 CA PRO A 53 3.910 12.746 2.456 1.00 42.42 C ATOM 812 C PRO A 53 2.742 12.366 3.359 1.00 22.13 C ATOM 813 O PRO A 53 1.853 13.178 3.616 1.00 4.23 O ATOM 814 CB PRO A 53 3.648 12.285 1.020 1.00 52.41 C ATOM 815 CG PRO A 53 4.326 10.963 0.917 1.00 71.12 C ATOM 816 CD PRO A 53 5.535 11.047 1.807 1.00 33.22 C ATOM 0 HA PRO A 53 4.009 13.826 2.561 1.00 42.42 H new ATOM 0 HB2 PRO A 53 2.580 12.199 0.821 1.00 52.41 H new ATOM 0 HB3 PRO A 53 4.051 12.994 0.297 1.00 52.41 H new ATOM 0 HG2 PRO A 53 3.663 10.159 1.235 1.00 71.12 H new ATOM 0 HG3 PRO A 53 4.614 10.751 -0.113 1.00 71.12 H new ATOM 0 HD2 PRO A 53 5.767 10.084 2.262 1.00 33.22 H new ATOM 0 HD3 PRO A 53 6.421 11.359 1.254 1.00 33.22 H new ATOM 824 N TYR A 54 2.750 11.127 3.839 1.00 44.15 N ATOM 825 CA TYR A 54 1.690 10.639 4.712 1.00 22.42 C ATOM 826 C TYR A 54 1.895 11.127 6.143 1.00 70.20 C ATOM 827 O TYR A 54 1.029 10.953 7.001 1.00 32.53 O ATOM 828 CB TYR A 54 1.642 9.110 4.685 1.00 20.01 C ATOM 829 CG TYR A 54 2.817 8.480 3.973 1.00 65.32 C ATOM 830 CD1 TYR A 54 3.993 8.190 4.654 1.00 23.51 C ATOM 831 CD2 TYR A 54 2.753 8.175 2.619 1.00 51.32 C ATOM 832 CE1 TYR A 54 5.070 7.614 4.007 1.00 1.35 C ATOM 833 CE2 TYR A 54 3.824 7.599 1.964 1.00 21.34 C ATOM 834 CZ TYR A 54 4.980 7.320 2.663 1.00 45.41 C ATOM 835 OH TYR A 54 6.050 6.747 2.014 1.00 3.33 O ATOM 0 H TYR A 54 3.479 10.443 3.638 1.00 44.15 H new ATOM 0 HA TYR A 54 0.742 11.033 4.345 1.00 22.42 H new ATOM 0 HB2 TYR A 54 1.606 8.738 5.709 1.00 20.01 H new ATOM 0 HB3 TYR A 54 0.720 8.792 4.198 1.00 20.01 H new ATOM 0 HD1 TYR A 54 4.067 8.419 5.707 1.00 23.51 H new ATOM 0 HD2 TYR A 54 1.849 8.392 2.069 1.00 51.32 H new ATOM 0 HE1 TYR A 54 5.977 7.395 4.551 1.00 1.35 H new ATOM 0 HE2 TYR A 54 3.757 7.368 0.911 1.00 21.34 H new ATOM 0 HH TYR A 54 6.602 7.449 1.610 1.00 3.33 H new ATOM 845 N LEU A 55 3.047 11.740 6.393 1.00 73.15 N ATOM 846 CA LEU A 55 3.367 12.255 7.719 1.00 4.41 C ATOM 847 C LEU A 55 3.314 13.780 7.739 1.00 73.44 C ATOM 848 O LEU A 55 2.374 14.370 8.271 1.00 54.50 O ATOM 849 CB LEU A 55 4.754 11.777 8.152 1.00 23.11 C ATOM 850 CG LEU A 55 4.953 10.262 8.213 1.00 11.03 C ATOM 851 CD1 LEU A 55 6.228 9.921 8.969 1.00 35.14 C ATOM 852 CD2 LEU A 55 3.750 9.592 8.862 1.00 3.30 C ATOM 0 H LEU A 55 3.775 11.892 5.695 1.00 73.15 H new ATOM 0 HA LEU A 55 2.623 11.874 8.418 1.00 4.41 H new ATOM 0 HB2 LEU A 55 5.491 12.193 7.464 1.00 23.11 H new ATOM 0 HB3 LEU A 55 4.968 12.191 9.137 1.00 23.11 H new ATOM 0 HG LEU A 55 5.048 9.886 7.194 1.00 11.03 H new ATOM 0 HD11 LEU A 55 6.353 8.839 9.002 1.00 35.14 H new ATOM 0 HD12 LEU A 55 7.082 10.370 8.462 1.00 35.14 H new ATOM 0 HD13 LEU A 55 6.164 10.310 9.985 1.00 35.14 H new ATOM 0 HD21 LEU A 55 3.909 8.514 8.897 1.00 3.30 H new ATOM 0 HD22 LEU A 55 3.624 9.973 9.875 1.00 3.30 H new ATOM 0 HD23 LEU A 55 2.855 9.808 8.279 1.00 3.30 H new ATOM 864 N ILE A 56 4.327 14.410 7.153 1.00 34.43 N ATOM 865 CA ILE A 56 4.393 15.865 7.101 1.00 74.22 C ATOM 866 C ILE A 56 4.450 16.361 5.660 1.00 23.10 C ATOM 867 O ILE A 56 4.916 15.652 4.768 1.00 2.31 O ATOM 868 CB ILE A 56 5.617 16.401 7.866 1.00 60.21 C ATOM 869 CG1 ILE A 56 5.586 17.930 7.915 1.00 70.22 C ATOM 870 CG2 ILE A 56 6.903 15.912 7.216 1.00 0.22 C ATOM 871 CD1 ILE A 56 6.720 18.532 8.714 1.00 21.14 C ATOM 0 H ILE A 56 5.113 13.936 6.708 1.00 34.43 H new ATOM 0 HA ILE A 56 3.486 16.239 7.576 1.00 74.22 H new ATOM 0 HB ILE A 56 5.583 16.023 8.888 1.00 60.21 H new ATOM 0 HG12 ILE A 56 5.623 18.319 6.897 1.00 70.22 H new ATOM 0 HG13 ILE A 56 4.638 18.252 8.345 1.00 70.22 H new ATOM 0 HG21 ILE A 56 7.760 16.299 7.768 1.00 0.22 H new ATOM 0 HG22 ILE A 56 6.926 14.822 7.229 1.00 0.22 H new ATOM 0 HG23 ILE A 56 6.946 16.264 6.185 1.00 0.22 H new ATOM 0 HD11 ILE A 56 6.634 19.619 8.706 1.00 21.14 H new ATOM 0 HD12 ILE A 56 6.672 18.172 9.742 1.00 21.14 H new ATOM 0 HD13 ILE A 56 7.672 18.240 8.271 1.00 21.14 H new ATOM 883 N GLN A 57 3.975 17.583 5.441 1.00 25.22 N ATOM 884 CA GLN A 57 3.974 18.174 4.108 1.00 4.03 C ATOM 885 C GLN A 57 5.324 18.811 3.794 1.00 21.02 C ATOM 886 O GLN A 57 6.167 19.002 4.671 1.00 12.22 O ATOM 887 CB GLN A 57 2.864 19.220 3.992 1.00 22.12 C ATOM 888 CG GLN A 57 1.639 18.726 3.240 1.00 31.54 C ATOM 889 CD GLN A 57 0.861 17.680 4.015 1.00 3.03 C ATOM 890 OE1 GLN A 57 0.483 17.898 5.166 1.00 15.05 O ATOM 891 NE2 GLN A 57 0.618 16.536 3.387 1.00 65.14 N ATOM 0 H GLN A 57 3.586 18.183 6.169 1.00 25.22 H new ATOM 0 HA GLN A 57 3.791 17.379 3.385 1.00 4.03 H new ATOM 0 HB2 GLN A 57 2.564 19.532 4.992 1.00 22.12 H new ATOM 0 HB3 GLN A 57 3.259 20.102 3.488 1.00 22.12 H new ATOM 0 HG2 GLN A 57 0.986 19.571 3.022 1.00 31.54 H new ATOM 0 HG3 GLN A 57 1.949 18.307 2.283 1.00 31.54 H new ATOM 0 HE21 GLN A 57 0.950 16.398 2.433 1.00 65.14 H new ATOM 0 HE22 GLN A 57 0.099 15.795 3.859 1.00 65.14 H new ATOM 900 N PRO A 58 5.536 19.148 2.513 1.00 23.43 N ATOM 901 CA PRO A 58 6.782 19.768 2.054 1.00 4.30 C ATOM 902 C PRO A 58 6.937 21.199 2.558 1.00 44.11 C ATOM 903 O PRO A 58 8.006 21.588 3.028 1.00 52.30 O ATOM 904 CB PRO A 58 6.647 19.750 0.529 1.00 12.14 C ATOM 905 CG PRO A 58 5.178 19.730 0.280 1.00 42.10 C ATOM 906 CD PRO A 58 4.576 18.949 1.415 1.00 70.31 C ATOM 0 HA PRO A 58 7.661 19.239 2.424 1.00 4.30 H new ATOM 0 HB2 PRO A 58 7.113 20.627 0.080 1.00 12.14 H new ATOM 0 HB3 PRO A 58 7.134 18.875 0.099 1.00 12.14 H new ATOM 0 HG2 PRO A 58 4.774 20.742 0.245 1.00 42.10 H new ATOM 0 HG3 PRO A 58 4.951 19.263 -0.678 1.00 42.10 H new ATOM 0 HD2 PRO A 58 3.585 19.319 1.676 1.00 70.31 H new ATOM 0 HD3 PRO A 58 4.466 17.894 1.163 1.00 70.31 H new ATOM 914 N GLU A 59 5.864 21.977 2.457 1.00 60.12 N ATOM 915 CA GLU A 59 5.883 23.365 2.903 1.00 53.13 C ATOM 916 C GLU A 59 6.167 23.452 4.399 1.00 5.14 C ATOM 917 O GLU A 59 6.834 24.378 4.863 1.00 61.25 O ATOM 918 CB GLU A 59 4.548 24.044 2.586 1.00 24.20 C ATOM 919 CG GLU A 59 4.530 25.529 2.907 1.00 73.15 C ATOM 920 CD GLU A 59 3.224 26.194 2.516 1.00 31.42 C ATOM 921 OE1 GLU A 59 2.588 25.728 1.547 1.00 45.00 O ATOM 922 OE2 GLU A 59 2.838 27.179 3.179 1.00 35.31 O ATOM 0 H GLU A 59 4.971 21.670 2.071 1.00 60.12 H new ATOM 0 HA GLU A 59 6.681 23.880 2.369 1.00 53.13 H new ATOM 0 HB2 GLU A 59 4.322 23.907 1.529 1.00 24.20 H new ATOM 0 HB3 GLU A 59 3.756 23.550 3.148 1.00 24.20 H new ATOM 0 HG2 GLU A 59 4.699 25.668 3.975 1.00 73.15 H new ATOM 0 HG3 GLU A 59 5.353 26.019 2.387 1.00 73.15 H new ATOM 929 N ASP A 60 5.657 22.482 5.150 1.00 41.02 N ATOM 930 CA ASP A 60 5.856 22.448 6.594 1.00 22.41 C ATOM 931 C ASP A 60 7.317 22.169 6.935 1.00 51.22 C ATOM 932 O ASP A 60 7.887 22.795 7.829 1.00 2.32 O ATOM 933 CB ASP A 60 4.960 21.383 7.229 1.00 52.13 C ATOM 934 CG ASP A 60 4.033 21.959 8.281 1.00 4.15 C ATOM 935 OD1 ASP A 60 4.509 22.752 9.121 1.00 21.34 O ATOM 936 OD2 ASP A 60 2.832 21.618 8.265 1.00 44.01 O ATOM 0 H ASP A 60 5.103 21.709 4.782 1.00 41.02 H new ATOM 0 HA ASP A 60 5.587 23.425 6.996 1.00 22.41 H new ATOM 0 HB2 ASP A 60 4.367 20.900 6.452 1.00 52.13 H new ATOM 0 HB3 ASP A 60 5.583 20.611 7.681 1.00 52.13 H new ATOM 941 N LEU A 61 7.917 21.226 6.217 1.00 31.13 N ATOM 942 CA LEU A 61 9.312 20.863 6.444 1.00 54.21 C ATOM 943 C LEU A 61 10.242 22.005 6.048 1.00 24.10 C ATOM 944 O LEU A 61 11.374 22.091 6.526 1.00 72.32 O ATOM 945 CB LEU A 61 9.666 19.603 5.653 1.00 45.14 C ATOM 946 CG LEU A 61 10.323 19.829 4.290 1.00 22.43 C ATOM 947 CD1 LEU A 61 11.832 19.946 4.438 1.00 23.41 C ATOM 948 CD2 LEU A 61 9.965 18.702 3.332 1.00 20.35 C ATOM 0 H LEU A 61 7.460 20.699 5.473 1.00 31.13 H new ATOM 0 HA LEU A 61 9.443 20.665 7.508 1.00 54.21 H new ATOM 0 HB2 LEU A 61 10.335 18.993 6.260 1.00 45.14 H new ATOM 0 HB3 LEU A 61 8.755 19.024 5.503 1.00 45.14 H new ATOM 0 HG LEU A 61 9.945 20.764 3.876 1.00 22.43 H new ATOM 0 HD11 LEU A 61 12.282 20.106 3.458 1.00 23.41 H new ATOM 0 HD12 LEU A 61 12.070 20.787 5.089 1.00 23.41 H new ATOM 0 HD13 LEU A 61 12.227 19.028 4.873 1.00 23.41 H new ATOM 0 HD21 LEU A 61 10.441 18.879 2.368 1.00 20.35 H new ATOM 0 HD22 LEU A 61 10.314 17.753 3.740 1.00 20.35 H new ATOM 0 HD23 LEU A 61 8.883 18.665 3.202 1.00 20.35 H new ATOM 960 N ARG A 62 9.758 22.881 5.174 1.00 75.21 N ATOM 961 CA ARG A 62 10.546 24.018 4.715 1.00 53.12 C ATOM 962 C ARG A 62 10.881 24.951 5.875 1.00 50.02 C ATOM 963 O ARG A 62 12.005 25.442 5.985 1.00 32.52 O ATOM 964 CB ARG A 62 9.788 24.787 3.631 1.00 74.21 C ATOM 965 CG ARG A 62 10.685 25.638 2.747 1.00 31.41 C ATOM 966 CD ARG A 62 10.248 27.094 2.747 1.00 75.01 C ATOM 967 NE ARG A 62 10.251 27.667 4.090 1.00 22.33 N ATOM 968 CZ ARG A 62 9.711 28.843 4.389 1.00 20.13 C ATOM 969 NH1 ARG A 62 9.127 29.567 3.445 1.00 53.12 N ATOM 970 NH2 ARG A 62 9.754 29.297 5.635 1.00 23.34 N ATOM 0 H ARG A 62 8.823 22.825 4.769 1.00 75.21 H new ATOM 0 HA ARG A 62 11.478 23.637 4.297 1.00 53.12 H new ATOM 0 HB2 ARG A 62 9.245 24.078 3.007 1.00 74.21 H new ATOM 0 HB3 ARG A 62 9.045 25.429 4.105 1.00 74.21 H new ATOM 0 HG2 ARG A 62 11.715 25.566 3.096 1.00 31.41 H new ATOM 0 HG3 ARG A 62 10.666 25.251 1.728 1.00 31.41 H new ATOM 0 HD2 ARG A 62 10.913 27.672 2.105 1.00 75.01 H new ATOM 0 HD3 ARG A 62 9.247 27.172 2.322 1.00 75.01 H new ATOM 0 HE ARG A 62 10.692 27.135 4.840 1.00 22.33 H new ATOM 0 HH11 ARG A 62 9.091 29.221 2.486 1.00 53.12 H new ATOM 0 HH12 ARG A 62 8.713 30.470 3.677 1.00 53.12 H new ATOM 0 HH21 ARG A 62 10.202 28.743 6.365 1.00 23.34 H new ATOM 0 HH22 ARG A 62 9.339 30.200 5.863 1.00 23.34 H new ATOM 984 N ASP A 63 9.899 25.192 6.736 1.00 31.44 N ATOM 985 CA ASP A 63 10.089 26.065 7.889 1.00 45.14 C ATOM 986 C ASP A 63 11.097 25.465 8.864 1.00 1.44 C ATOM 987 O ASP A 63 11.822 26.189 9.547 1.00 5.42 O ATOM 988 CB ASP A 63 8.756 26.308 8.598 1.00 62.53 C ATOM 989 CG ASP A 63 8.875 27.313 9.726 1.00 1.01 C ATOM 990 OD1 ASP A 63 9.058 28.514 9.435 1.00 60.35 O ATOM 991 OD2 ASP A 63 8.784 26.899 10.901 1.00 43.53 O ATOM 0 H ASP A 63 8.963 24.795 6.658 1.00 31.44 H new ATOM 0 HA ASP A 63 10.479 27.018 7.532 1.00 45.14 H new ATOM 0 HB2 ASP A 63 8.023 26.664 7.874 1.00 62.53 H new ATOM 0 HB3 ASP A 63 8.381 25.364 8.994 1.00 62.53 H new ATOM 996 N HIS A 64 11.136 24.138 8.926 1.00 41.13 N ATOM 997 CA HIS A 64 12.055 23.441 9.819 1.00 73.33 C ATOM 998 C HIS A 64 13.504 23.736 9.446 1.00 43.22 C ATOM 999 O HIS A 64 14.358 23.904 10.316 1.00 23.45 O ATOM 1000 CB HIS A 64 11.801 21.934 9.771 1.00 75.23 C ATOM 1001 CG HIS A 64 12.967 21.115 10.231 1.00 33.34 C ATOM 1002 ND1 HIS A 64 13.420 20.003 9.553 1.00 4.04 N ATOM 1003 CD2 HIS A 64 13.774 21.252 11.309 1.00 64.01 C ATOM 1004 CE1 HIS A 64 14.456 19.491 10.195 1.00 75.12 C ATOM 1005 NE2 HIS A 64 14.691 20.231 11.263 1.00 21.54 N ATOM 0 H HIS A 64 10.542 23.524 8.369 1.00 41.13 H new ATOM 0 HA HIS A 64 11.879 23.800 10.833 1.00 73.33 H new ATOM 0 HB2 HIS A 64 10.936 21.700 10.391 1.00 75.23 H new ATOM 0 HB3 HIS A 64 11.548 21.649 8.750 1.00 75.23 H new ATOM 0 HD1 HIS A 64 13.019 19.633 8.691 1.00 4.04 H new ATOM 0 HD2 HIS A 64 13.709 22.021 12.064 1.00 64.01 H new ATOM 0 HE1 HIS A 64 15.015 18.616 9.897 1.00 75.12 H new ATOM 1013 N VAL A 65 13.775 23.798 8.146 1.00 41.32 N ATOM 1014 CA VAL A 65 15.121 24.074 7.658 1.00 70.24 C ATOM 1015 C VAL A 65 15.556 25.490 8.016 1.00 4.21 C ATOM 1016 O VAL A 65 16.662 25.704 8.512 1.00 72.31 O ATOM 1017 CB VAL A 65 15.213 23.891 6.131 1.00 55.31 C ATOM 1018 CG1 VAL A 65 16.646 24.076 5.656 1.00 54.21 C ATOM 1019 CG2 VAL A 65 14.680 22.525 5.725 1.00 13.42 C ATOM 0 H VAL A 65 13.080 23.661 7.412 1.00 41.32 H new ATOM 0 HA VAL A 65 15.786 23.359 8.143 1.00 70.24 H new ATOM 0 HB VAL A 65 14.596 24.653 5.654 1.00 55.31 H new ATOM 0 HG11 VAL A 65 16.691 23.943 4.575 1.00 54.21 H new ATOM 0 HG12 VAL A 65 16.988 25.079 5.913 1.00 54.21 H new ATOM 0 HG13 VAL A 65 17.288 23.339 6.139 1.00 54.21 H new ATOM 0 HG21 VAL A 65 14.753 22.413 4.643 1.00 13.42 H new ATOM 0 HG22 VAL A 65 15.268 21.746 6.211 1.00 13.42 H new ATOM 0 HG23 VAL A 65 13.637 22.436 6.030 1.00 13.42 H new ATOM 1029 N ASN A 66 14.679 26.455 7.762 1.00 53.41 N ATOM 1030 CA ASN A 66 14.972 27.853 8.058 1.00 64.11 C ATOM 1031 C ASN A 66 15.079 28.079 9.563 1.00 54.50 C ATOM 1032 O ASN A 66 15.820 28.950 10.019 1.00 21.13 O ATOM 1033 CB ASN A 66 13.889 28.759 7.470 1.00 41.14 C ATOM 1034 CG ASN A 66 14.254 30.228 7.557 1.00 1.41 C ATOM 1035 OD1 ASN A 66 15.424 30.581 7.706 1.00 21.00 O ATOM 1036 ND2 ASN A 66 13.251 31.094 7.465 1.00 32.50 N ATOM 0 H ASN A 66 13.759 26.295 7.352 1.00 53.41 H new ATOM 0 HA ASN A 66 15.930 28.102 7.602 1.00 64.11 H new ATOM 0 HB2 ASN A 66 13.721 28.490 6.427 1.00 41.14 H new ATOM 0 HB3 ASN A 66 12.951 28.589 7.998 1.00 41.14 H new ATOM 0 HD21 ASN A 66 13.436 32.096 7.517 1.00 32.50 H new ATOM 0 HD22 ASN A 66 12.296 30.757 7.342 1.00 32.50 H new ATOM 1043 N ASP A 67 14.333 27.290 10.328 1.00 0.24 N ATOM 1044 CA ASP A 67 14.344 27.403 11.782 1.00 20.13 C ATOM 1045 C ASP A 67 15.724 27.074 12.342 1.00 23.34 C ATOM 1046 O ASP A 67 16.078 27.504 13.440 1.00 42.14 O ATOM 1047 CB ASP A 67 13.296 26.473 12.395 1.00 21.32 C ATOM 1048 CG ASP A 67 12.898 26.892 13.797 1.00 41.44 C ATOM 1049 OD1 ASP A 67 13.607 27.734 14.387 1.00 31.32 O ATOM 1050 OD2 ASP A 67 11.878 26.379 14.303 1.00 23.00 O ATOM 0 H ASP A 67 13.713 26.565 9.966 1.00 0.24 H new ATOM 0 HA ASP A 67 14.102 28.433 12.044 1.00 20.13 H new ATOM 0 HB2 ASP A 67 12.411 26.458 11.759 1.00 21.32 H new ATOM 0 HB3 ASP A 67 13.688 25.456 12.420 1.00 21.32 H new ATOM 1055 N MET A 68 16.499 26.307 11.581 1.00 13.34 N ATOM 1056 CA MET A 68 17.840 25.921 12.002 1.00 23.53 C ATOM 1057 C MET A 68 18.764 27.133 12.054 1.00 25.00 C ATOM 1058 O MET A 68 19.857 27.069 12.616 1.00 11.32 O ATOM 1059 CB MET A 68 18.413 24.868 11.051 1.00 40.32 C ATOM 1060 CG MET A 68 17.769 23.499 11.200 1.00 3.40 C ATOM 1061 SD MET A 68 18.762 22.370 12.195 1.00 13.04 S ATOM 1062 CE MET A 68 19.245 23.444 13.545 1.00 34.33 C ATOM 0 H MET A 68 16.221 25.941 10.670 1.00 13.34 H new ATOM 0 HA MET A 68 17.771 25.496 13.004 1.00 23.53 H new ATOM 0 HB2 MET A 68 18.286 25.210 10.024 1.00 40.32 H new ATOM 0 HB3 MET A 68 19.485 24.777 11.226 1.00 40.32 H new ATOM 0 HG2 MET A 68 16.786 23.612 11.657 1.00 3.40 H new ATOM 0 HG3 MET A 68 17.613 23.066 10.212 1.00 3.40 H new ATOM 0 HE1 MET A 68 19.806 22.871 14.283 1.00 34.33 H new ATOM 0 HE2 MET A 68 19.869 24.252 13.162 1.00 34.33 H new ATOM 0 HE3 MET A 68 18.354 23.864 14.013 1.00 34.33 H new ATOM 1072 N GLY A 69 18.318 28.238 11.463 1.00 24.52 N ATOM 1073 CA GLY A 69 19.118 29.448 11.453 1.00 3.34 C ATOM 1074 C GLY A 69 20.107 29.481 10.305 1.00 73.14 C ATOM 1075 O GLY A 69 21.191 30.052 10.425 1.00 54.44 O ATOM 0 H GLY A 69 17.417 28.316 10.991 1.00 24.52 H new ATOM 0 HA2 GLY A 69 18.460 30.314 11.386 1.00 3.34 H new ATOM 0 HA3 GLY A 69 19.658 29.530 12.396 1.00 3.34 H new ATOM 1079 N PHE A 70 19.734 28.865 9.188 1.00 71.33 N ATOM 1080 CA PHE A 70 20.597 28.823 8.013 1.00 10.10 C ATOM 1081 C PHE A 70 20.007 29.652 6.875 1.00 24.53 C ATOM 1082 O PHE A 70 18.897 30.172 6.984 1.00 64.54 O ATOM 1083 CB PHE A 70 20.800 27.378 7.554 1.00 22.42 C ATOM 1084 CG PHE A 70 21.623 26.557 8.506 1.00 74.31 C ATOM 1085 CD1 PHE A 70 21.132 26.226 9.759 1.00 73.44 C ATOM 1086 CD2 PHE A 70 22.886 26.116 8.148 1.00 62.43 C ATOM 1087 CE1 PHE A 70 21.887 25.471 10.636 1.00 12.04 C ATOM 1088 CE2 PHE A 70 23.646 25.360 9.021 1.00 12.22 C ATOM 1089 CZ PHE A 70 23.145 25.037 10.267 1.00 72.31 C ATOM 0 H PHE A 70 18.840 28.388 9.072 1.00 71.33 H new ATOM 0 HA PHE A 70 21.562 29.249 8.287 1.00 10.10 H new ATOM 0 HB2 PHE A 70 19.826 26.905 7.427 1.00 22.42 H new ATOM 0 HB3 PHE A 70 21.283 27.380 6.577 1.00 22.42 H new ATOM 0 HD1 PHE A 70 20.149 26.562 10.053 1.00 73.44 H new ATOM 0 HD2 PHE A 70 23.282 26.366 7.175 1.00 62.43 H new ATOM 0 HE1 PHE A 70 21.493 25.220 11.610 1.00 12.04 H new ATOM 0 HE2 PHE A 70 24.630 25.023 8.729 1.00 12.22 H new ATOM 0 HZ PHE A 70 23.736 24.446 10.951 1.00 72.31 H new ATOM 1099 N GLU A 71 20.760 29.769 5.786 1.00 55.45 N ATOM 1100 CA GLU A 71 20.312 30.536 4.628 1.00 30.35 C ATOM 1101 C GLU A 71 19.669 29.624 3.587 1.00 21.35 C ATOM 1102 O GLU A 71 19.290 30.070 2.505 1.00 1.12 O ATOM 1103 CB GLU A 71 21.487 31.292 4.004 1.00 34.22 C ATOM 1104 CG GLU A 71 21.138 32.705 3.568 1.00 21.01 C ATOM 1105 CD GLU A 71 19.782 32.790 2.896 1.00 54.13 C ATOM 1106 OE1 GLU A 71 18.773 32.955 3.614 1.00 4.32 O ATOM 1107 OE2 GLU A 71 19.728 32.691 1.652 1.00 12.42 O ATOM 0 H GLU A 71 21.681 29.344 5.681 1.00 55.45 H new ATOM 0 HA GLU A 71 19.566 31.255 4.967 1.00 30.35 H new ATOM 0 HB2 GLU A 71 22.304 31.334 4.724 1.00 34.22 H new ATOM 0 HB3 GLU A 71 21.850 30.734 3.141 1.00 34.22 H new ATOM 0 HG2 GLU A 71 21.150 33.363 4.437 1.00 21.01 H new ATOM 0 HG3 GLU A 71 21.903 33.069 2.882 1.00 21.01 H new ATOM 1114 N ALA A 72 19.551 28.343 3.924 1.00 55.44 N ATOM 1115 CA ALA A 72 18.953 27.368 3.020 1.00 52.52 C ATOM 1116 C ALA A 72 17.685 27.920 2.378 1.00 55.42 C ATOM 1117 O ALA A 72 16.865 28.552 3.044 1.00 50.33 O ATOM 1118 CB ALA A 72 18.651 26.076 3.763 1.00 71.51 C ATOM 0 H ALA A 72 19.861 27.957 4.816 1.00 55.44 H new ATOM 0 HA ALA A 72 19.669 27.159 2.226 1.00 52.52 H new ATOM 0 HB1 ALA A 72 18.205 25.357 3.076 1.00 71.51 H new ATOM 0 HB2 ALA A 72 19.575 25.665 4.169 1.00 71.51 H new ATOM 0 HB3 ALA A 72 17.956 26.279 4.578 1.00 71.51 H new ATOM 1124 N ALA A 73 17.530 27.678 1.080 1.00 11.13 N ATOM 1125 CA ALA A 73 16.361 28.150 0.349 1.00 34.01 C ATOM 1126 C ALA A 73 15.837 27.078 -0.600 1.00 63.35 C ATOM 1127 O ALA A 73 16.597 26.234 -1.078 1.00 13.02 O ATOM 1128 CB ALA A 73 16.696 29.420 -0.419 1.00 74.00 C ATOM 0 H ALA A 73 18.200 27.158 0.513 1.00 11.13 H new ATOM 0 HA ALA A 73 15.576 28.372 1.072 1.00 34.01 H new ATOM 0 HB1 ALA A 73 15.814 29.761 -0.960 1.00 74.00 H new ATOM 0 HB2 ALA A 73 17.015 30.194 0.279 1.00 74.00 H new ATOM 0 HB3 ALA A 73 17.499 29.216 -1.127 1.00 74.00 H new