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 Set 1.1: A 16 MET CE :methyl -112:sc= -0.0262 (180deg=0) USER MOD Set 1.2: A 45 GLN : amide:sc=-0.00114 K(o=-0.027,f=-0.95) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= -0.0537 (180deg=-0.0646) USER MOD Single : A 21 CYS SG : rot -159:sc= 0.00219 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+ 155:sc= -0.0133 (180deg=-0.71) 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= -0.581 K(o=-0.58,f=-2.5) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.866 USER MOD Single : A 51 TYR OH : rot 130:sc= -1.6 USER MOD Single : A 52 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-2.7) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 141:sc= -2.26 (180deg=-4.95!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 7.800 7.920 0.634 1.00 74.51 N ATOM 70 CA GLU A 6 8.597 9.004 1.195 1.00 55.33 C ATOM 71 C GLU A 6 9.349 9.750 0.097 1.00 44.12 C ATOM 72 O GLU A 6 9.873 9.141 -0.835 1.00 71.25 O ATOM 73 CB GLU A 6 9.586 8.459 2.227 1.00 51.12 C ATOM 74 CG GLU A 6 10.317 7.209 1.768 1.00 64.13 C ATOM 75 CD GLU A 6 11.451 6.822 2.697 1.00 21.23 C ATOM 76 OE1 GLU A 6 12.285 7.697 3.011 1.00 20.03 O ATOM 77 OE2 GLU A 6 11.505 5.645 3.110 1.00 32.33 O ATOM 0 HA GLU A 6 7.920 9.702 1.686 1.00 55.33 H new ATOM 0 HB2 GLU A 6 10.318 9.232 2.460 1.00 51.12 H new ATOM 0 HB3 GLU A 6 9.050 8.238 3.150 1.00 51.12 H new ATOM 0 HG2 GLU A 6 9.609 6.383 1.701 1.00 64.13 H new ATOM 0 HG3 GLU A 6 10.713 7.372 0.766 1.00 64.13 H new ATOM 84 N ALA A 7 9.399 11.073 0.215 1.00 75.01 N ATOM 85 CA ALA A 7 10.088 11.902 -0.766 1.00 12.44 C ATOM 86 C ALA A 7 11.071 12.851 -0.088 1.00 65.52 C ATOM 87 O ALA A 7 10.778 13.417 0.964 1.00 2.45 O ATOM 88 CB ALA A 7 9.081 12.687 -1.594 1.00 63.22 C ATOM 0 H ALA A 7 8.970 11.593 0.980 1.00 75.01 H new ATOM 0 HA ALA A 7 10.653 11.245 -1.427 1.00 12.44 H new ATOM 0 HB1 ALA A 7 9.609 13.302 -2.323 1.00 63.22 H new ATOM 0 HB2 ALA A 7 8.420 11.995 -2.115 1.00 63.22 H new ATOM 0 HB3 ALA A 7 8.491 13.328 -0.938 1.00 63.22 H new ATOM 94 N VAL A 8 12.241 13.018 -0.698 1.00 55.14 N ATOM 95 CA VAL A 8 13.268 13.898 -0.154 1.00 53.11 C ATOM 96 C VAL A 8 13.689 14.948 -1.176 1.00 4.23 C ATOM 97 O VAL A 8 13.800 14.661 -2.368 1.00 2.12 O ATOM 98 CB VAL A 8 14.510 13.103 0.291 1.00 14.11 C ATOM 99 CG1 VAL A 8 14.918 12.105 -0.782 1.00 11.32 C ATOM 100 CG2 VAL A 8 15.657 14.047 0.618 1.00 60.04 C ATOM 0 H VAL A 8 12.501 12.555 -1.569 1.00 55.14 H new ATOM 0 HA VAL A 8 12.833 14.394 0.714 1.00 53.11 H new ATOM 0 HB VAL A 8 14.260 12.546 1.194 1.00 14.11 H new ATOM 0 HG11 VAL A 8 15.797 11.553 -0.450 1.00 11.32 H new ATOM 0 HG12 VAL A 8 14.099 11.409 -0.962 1.00 11.32 H new ATOM 0 HG13 VAL A 8 15.151 12.637 -1.704 1.00 11.32 H new ATOM 0 HG21 VAL A 8 16.526 13.469 0.931 1.00 60.04 H new ATOM 0 HG22 VAL A 8 15.910 14.633 -0.266 1.00 60.04 H new ATOM 0 HG23 VAL A 8 15.358 14.717 1.424 1.00 60.04 H new ATOM 110 N VAL A 9 13.924 16.167 -0.701 1.00 3.33 N ATOM 111 CA VAL A 9 14.336 17.261 -1.572 1.00 52.24 C ATOM 112 C VAL A 9 15.642 17.884 -1.093 1.00 0.31 C ATOM 113 O VAL A 9 15.987 17.801 0.086 1.00 13.41 O ATOM 114 CB VAL A 9 13.255 18.356 -1.648 1.00 31.13 C ATOM 115 CG1 VAL A 9 11.872 17.734 -1.766 1.00 30.31 C ATOM 116 CG2 VAL A 9 13.336 19.269 -0.433 1.00 70.44 C ATOM 0 H VAL A 9 13.836 16.422 0.283 1.00 3.33 H new ATOM 0 HA VAL A 9 14.483 16.836 -2.565 1.00 52.24 H new ATOM 0 HB VAL A 9 13.434 18.958 -2.539 1.00 31.13 H new ATOM 0 HG11 VAL A 9 11.122 18.523 -1.818 1.00 30.31 H new ATOM 0 HG12 VAL A 9 11.823 17.125 -2.669 1.00 30.31 H new ATOM 0 HG13 VAL A 9 11.679 17.107 -0.895 1.00 30.31 H new ATOM 0 HG21 VAL A 9 12.565 20.037 -0.503 1.00 70.44 H new ATOM 0 HG22 VAL A 9 13.183 18.683 0.473 1.00 70.44 H new ATOM 0 HG23 VAL A 9 14.317 19.742 -0.398 1.00 70.44 H new ATOM 126 N LYS A 10 16.366 18.509 -2.015 1.00 3.41 N ATOM 127 CA LYS A 10 17.635 19.149 -1.688 1.00 11.42 C ATOM 128 C LYS A 10 17.528 20.666 -1.815 1.00 63.43 C ATOM 129 O LYS A 10 16.979 21.180 -2.791 1.00 24.22 O ATOM 130 CB LYS A 10 18.744 18.627 -2.603 1.00 64.32 C ATOM 131 CG LYS A 10 18.323 18.496 -4.057 1.00 12.44 C ATOM 132 CD LYS A 10 17.834 17.093 -4.372 1.00 23.52 C ATOM 133 CE LYS A 10 16.921 17.080 -5.588 1.00 14.23 C ATOM 134 NZ LYS A 10 15.500 17.328 -5.216 1.00 50.54 N ATOM 0 H LYS A 10 16.096 18.586 -2.995 1.00 3.41 H new ATOM 0 HA LYS A 10 17.881 18.905 -0.654 1.00 11.42 H new ATOM 0 HB2 LYS A 10 19.601 19.298 -2.541 1.00 64.32 H new ATOM 0 HB3 LYS A 10 19.075 17.654 -2.240 1.00 64.32 H new ATOM 0 HG2 LYS A 10 17.533 19.215 -4.274 1.00 12.44 H new ATOM 0 HG3 LYS A 10 19.165 18.743 -4.704 1.00 12.44 H new ATOM 0 HD2 LYS A 10 18.689 16.440 -4.551 1.00 23.52 H new ATOM 0 HD3 LYS A 10 17.300 16.691 -3.511 1.00 23.52 H new ATOM 0 HE2 LYS A 10 17.249 17.840 -6.297 1.00 14.23 H new ATOM 0 HE3 LYS A 10 17.002 16.117 -6.093 1.00 14.23 H new ATOM 0 HZ1 LYS A 10 14.904 17.278 -6.067 1.00 50.54 H new ATOM 0 HZ2 LYS A 10 15.189 16.608 -4.533 1.00 50.54 H new ATOM 0 HZ3 LYS A 10 15.413 18.272 -4.788 1.00 50.54 H new ATOM 148 N LEU A 11 18.057 21.377 -0.826 1.00 21.55 N ATOM 149 CA LEU A 11 18.023 22.835 -0.828 1.00 32.12 C ATOM 150 C LEU A 11 19.427 23.413 -0.688 1.00 65.12 C ATOM 151 O LEU A 11 20.262 22.874 0.039 1.00 72.40 O ATOM 152 CB LEU A 11 17.134 23.346 0.307 1.00 33.44 C ATOM 153 CG LEU A 11 15.708 22.795 0.343 1.00 73.32 C ATOM 154 CD1 LEU A 11 15.566 21.751 1.440 1.00 14.52 C ATOM 155 CD2 LEU A 11 14.705 23.922 0.543 1.00 63.01 C ATOM 0 H LEU A 11 18.515 20.967 -0.012 1.00 21.55 H new ATOM 0 HA LEU A 11 17.609 23.162 -1.782 1.00 32.12 H new ATOM 0 HB2 LEU A 11 17.617 23.110 1.255 1.00 33.44 H new ATOM 0 HB3 LEU A 11 17.081 24.433 0.239 1.00 33.44 H new ATOM 0 HG LEU A 11 15.500 22.317 -0.614 1.00 73.32 H new ATOM 0 HD11 LEU A 11 14.545 21.371 1.450 1.00 14.52 H new ATOM 0 HD12 LEU A 11 16.257 20.930 1.252 1.00 14.52 H new ATOM 0 HD13 LEU A 11 15.794 22.204 2.405 1.00 14.52 H new ATOM 0 HD21 LEU A 11 13.696 23.511 0.566 1.00 63.01 H new ATOM 0 HD22 LEU A 11 14.912 24.430 1.485 1.00 63.01 H new ATOM 0 HD23 LEU A 11 14.788 24.633 -0.279 1.00 63.01 H new ATOM 167 N ARG A 12 19.681 24.514 -1.388 1.00 31.01 N ATOM 168 CA ARG A 12 20.984 25.166 -1.341 1.00 62.21 C ATOM 169 C ARG A 12 21.111 26.039 -0.096 1.00 71.01 C ATOM 170 O ARG A 12 20.253 26.879 0.176 1.00 32.43 O ATOM 171 CB ARG A 12 21.199 26.014 -2.596 1.00 23.01 C ATOM 172 CG ARG A 12 22.663 26.204 -2.959 1.00 71.44 C ATOM 173 CD ARG A 12 22.820 26.766 -4.364 1.00 31.24 C ATOM 174 NE ARG A 12 22.763 28.225 -4.379 1.00 14.05 N ATOM 175 CZ ARG A 12 23.183 28.967 -5.397 1.00 73.44 C ATOM 176 NH1 ARG A 12 23.688 28.389 -6.479 1.00 34.55 N ATOM 177 NH2 ARG A 12 23.098 30.289 -5.336 1.00 54.33 N ATOM 0 H ARG A 12 19.001 24.973 -1.994 1.00 31.01 H new ATOM 0 HA ARG A 12 21.749 24.391 -1.299 1.00 62.21 H new ATOM 0 HB2 ARG A 12 20.684 25.545 -3.434 1.00 23.01 H new ATOM 0 HB3 ARG A 12 20.741 26.992 -2.447 1.00 23.01 H new ATOM 0 HG2 ARG A 12 23.132 26.877 -2.242 1.00 71.44 H new ATOM 0 HG3 ARG A 12 23.184 25.249 -2.888 1.00 71.44 H new ATOM 0 HD2 ARG A 12 23.771 26.436 -4.782 1.00 31.24 H new ATOM 0 HD3 ARG A 12 22.034 26.366 -5.004 1.00 31.24 H new ATOM 0 HE ARG A 12 22.379 28.701 -3.562 1.00 14.05 H new ATOM 0 HH11 ARG A 12 23.754 27.372 -6.530 1.00 34.55 H new ATOM 0 HH12 ARG A 12 24.010 28.961 -7.260 1.00 34.55 H new ATOM 0 HH21 ARG A 12 22.710 30.737 -4.506 1.00 54.33 H new ATOM 0 HH22 ARG A 12 23.421 30.857 -6.119 1.00 54.33 H new ATOM 191 N VAL A 13 22.187 25.834 0.657 1.00 42.52 N ATOM 192 CA VAL A 13 22.427 26.603 1.872 1.00 30.15 C ATOM 193 C VAL A 13 23.300 27.820 1.590 1.00 52.52 C ATOM 194 O VAL A 13 24.312 27.723 0.898 1.00 63.35 O ATOM 195 CB VAL A 13 23.102 25.742 2.957 1.00 73.12 C ATOM 196 CG1 VAL A 13 23.030 26.434 4.310 1.00 60.35 C ATOM 197 CG2 VAL A 13 22.460 24.364 3.019 1.00 54.24 C ATOM 0 H VAL A 13 22.906 25.142 0.447 1.00 42.52 H new ATOM 0 HA VAL A 13 21.453 26.934 2.234 1.00 30.15 H new ATOM 0 HB VAL A 13 24.153 25.617 2.695 1.00 73.12 H new ATOM 0 HG11 VAL A 13 23.512 25.811 5.063 1.00 60.35 H new ATOM 0 HG12 VAL A 13 23.540 27.396 4.254 1.00 60.35 H new ATOM 0 HG13 VAL A 13 21.987 26.592 4.583 1.00 60.35 H new ATOM 0 HG21 VAL A 13 22.949 23.769 3.791 1.00 54.24 H new ATOM 0 HG22 VAL A 13 21.401 24.466 3.256 1.00 54.24 H new ATOM 0 HG23 VAL A 13 22.569 23.868 2.055 1.00 54.24 H new ATOM 207 N GLU A 14 22.900 28.967 2.131 1.00 31.00 N ATOM 208 CA GLU A 14 23.646 30.204 1.936 1.00 4.31 C ATOM 209 C GLU A 14 24.434 30.568 3.191 1.00 23.15 C ATOM 210 O GLU A 14 25.186 31.542 3.205 1.00 20.45 O ATOM 211 CB GLU A 14 22.697 31.346 1.568 1.00 11.30 C ATOM 212 CG GLU A 14 23.290 32.337 0.580 1.00 23.33 C ATOM 213 CD GLU A 14 23.879 33.557 1.260 1.00 5.25 C ATOM 214 OE1 GLU A 14 23.203 34.132 2.138 1.00 1.35 O ATOM 215 OE2 GLU A 14 25.018 33.937 0.914 1.00 31.23 O ATOM 0 H GLU A 14 22.064 29.065 2.707 1.00 31.00 H new ATOM 0 HA GLU A 14 24.350 30.048 1.118 1.00 4.31 H new ATOM 0 HB2 GLU A 14 21.784 30.926 1.145 1.00 11.30 H new ATOM 0 HB3 GLU A 14 22.413 31.877 2.476 1.00 11.30 H new ATOM 0 HG2 GLU A 14 24.065 31.842 -0.005 1.00 23.33 H new ATOM 0 HG3 GLU A 14 22.517 32.654 -0.120 1.00 23.33 H new ATOM 222 N GLY A 15 24.255 29.777 4.245 1.00 1.14 N ATOM 223 CA GLY A 15 24.955 30.032 5.491 1.00 35.22 C ATOM 224 C GLY A 15 25.956 28.944 5.827 1.00 54.11 C ATOM 225 O GLY A 15 26.588 28.978 6.882 1.00 31.21 O ATOM 0 H GLY A 15 23.638 28.965 4.258 1.00 1.14 H new ATOM 0 HA2 GLY A 15 25.472 30.989 5.424 1.00 35.22 H new ATOM 0 HA3 GLY A 15 24.230 30.117 6.301 1.00 35.22 H new ATOM 229 N MET A 16 26.099 27.976 4.928 1.00 73.11 N ATOM 230 CA MET A 16 27.030 26.873 5.135 1.00 70.10 C ATOM 231 C MET A 16 28.468 27.378 5.188 1.00 2.43 C ATOM 232 O MET A 16 29.370 26.671 5.638 1.00 21.40 O ATOM 233 CB MET A 16 26.882 25.836 4.019 1.00 4.44 C ATOM 234 CG MET A 16 27.733 26.135 2.796 1.00 41.43 C ATOM 235 SD MET A 16 27.254 27.667 1.974 1.00 53.02 S ATOM 236 CE MET A 16 28.797 28.128 1.190 1.00 73.24 C ATOM 0 H MET A 16 25.582 27.933 4.050 1.00 73.11 H new ATOM 0 HA MET A 16 26.793 26.405 6.090 1.00 70.10 H new ATOM 0 HB2 MET A 16 27.152 24.854 4.408 1.00 4.44 H new ATOM 0 HB3 MET A 16 25.835 25.783 3.719 1.00 4.44 H new ATOM 0 HG2 MET A 16 28.780 26.199 3.093 1.00 41.43 H new ATOM 0 HG3 MET A 16 27.652 25.308 2.091 1.00 41.43 H new ATOM 0 HE1 MET A 16 29.189 29.029 1.661 1.00 73.24 H new ATOM 0 HE2 MET A 16 29.518 27.318 1.301 1.00 73.24 H new ATOM 0 HE3 MET A 16 28.624 28.318 0.131 1.00 73.24 H new ATOM 299 N CYS A 21 28.178 23.296 10.665 1.00 0.43 N ATOM 300 CA CYS A 21 26.969 23.069 11.450 1.00 64.14 C ATOM 301 C CYS A 21 26.173 21.893 10.893 1.00 41.34 C ATOM 302 O CYS A 21 25.293 21.353 11.563 1.00 62.43 O ATOM 303 CB CYS A 21 26.101 24.328 11.464 1.00 61.32 C ATOM 304 SG CYS A 21 25.461 24.765 13.097 1.00 30.44 S ATOM 0 HA CYS A 21 27.267 22.832 12.471 1.00 64.14 H new ATOM 0 HB2 CYS A 21 26.686 25.164 11.079 1.00 61.32 H new ATOM 0 HB3 CYS A 21 25.262 24.185 10.783 1.00 61.32 H new ATOM 0 HG CYS A 21 24.428 25.543 12.964 1.00 30.44 H new ATOM 310 N VAL A 22 26.487 21.503 9.661 1.00 13.22 N ATOM 311 CA VAL A 22 25.800 20.392 9.013 1.00 3.11 C ATOM 312 C VAL A 22 25.747 19.172 9.926 1.00 74.04 C ATOM 313 O VAL A 22 24.704 18.531 10.062 1.00 43.41 O ATOM 314 CB VAL A 22 26.488 20.001 7.692 1.00 44.23 C ATOM 315 CG1 VAL A 22 25.844 18.756 7.102 1.00 53.45 C ATOM 316 CG2 VAL A 22 26.439 21.157 6.704 1.00 71.24 C ATOM 0 H VAL A 22 27.212 21.940 9.092 1.00 13.22 H new ATOM 0 HA VAL A 22 24.785 20.728 8.800 1.00 3.11 H new ATOM 0 HB VAL A 22 27.534 19.775 7.900 1.00 44.23 H new ATOM 0 HG11 VAL A 22 26.344 18.495 6.169 1.00 53.45 H new ATOM 0 HG12 VAL A 22 25.937 17.930 7.807 1.00 53.45 H new ATOM 0 HG13 VAL A 22 24.789 18.950 6.907 1.00 53.45 H new ATOM 0 HG21 VAL A 22 26.930 20.864 5.776 1.00 71.24 H new ATOM 0 HG22 VAL A 22 25.400 21.417 6.499 1.00 71.24 H new ATOM 0 HG23 VAL A 22 26.952 22.020 7.128 1.00 71.24 H new ATOM 326 N SER A 23 26.877 18.856 10.549 1.00 10.14 N ATOM 327 CA SER A 23 26.960 17.710 11.447 1.00 1.24 C ATOM 328 C SER A 23 26.061 17.907 12.664 1.00 53.00 C ATOM 329 O SER A 23 25.424 16.966 13.138 1.00 53.25 O ATOM 330 CB SER A 23 28.406 17.492 11.898 1.00 52.13 C ATOM 331 OG SER A 23 28.942 16.308 11.334 1.00 23.44 O ATOM 0 H SER A 23 27.748 19.377 10.449 1.00 10.14 H new ATOM 0 HA SER A 23 26.619 16.829 10.903 1.00 1.24 H new ATOM 0 HB2 SER A 23 29.015 18.347 11.604 1.00 52.13 H new ATOM 0 HB3 SER A 23 28.446 17.431 12.986 1.00 52.13 H new ATOM 0 HG SER A 23 29.867 16.192 11.636 1.00 23.44 H new ATOM 337 N SER A 24 26.014 19.137 13.165 1.00 45.30 N ATOM 338 CA SER A 24 25.197 19.459 14.329 1.00 73.52 C ATOM 339 C SER A 24 23.712 19.373 13.990 1.00 53.14 C ATOM 340 O SER A 24 22.911 18.874 14.781 1.00 60.33 O ATOM 341 CB SER A 24 25.534 20.859 14.845 1.00 71.24 C ATOM 342 OG SER A 24 24.480 21.378 15.637 1.00 21.33 O ATOM 0 H SER A 24 26.533 19.928 12.783 1.00 45.30 H new ATOM 0 HA SER A 24 25.417 18.730 15.109 1.00 73.52 H new ATOM 0 HB2 SER A 24 26.451 20.822 15.433 1.00 71.24 H new ATOM 0 HB3 SER A 24 25.722 21.525 14.003 1.00 71.24 H new ATOM 0 HG SER A 24 24.721 22.273 15.956 1.00 21.33 H new ATOM 348 N ILE A 25 23.352 19.864 12.808 1.00 30.14 N ATOM 349 CA ILE A 25 21.964 19.842 12.363 1.00 2.44 C ATOM 350 C ILE A 25 21.448 18.413 12.240 1.00 24.31 C ATOM 351 O ILE A 25 20.252 18.160 12.378 1.00 1.41 O ATOM 352 CB ILE A 25 21.796 20.555 11.009 1.00 43.35 C ATOM 353 CG1 ILE A 25 22.198 22.027 11.129 1.00 62.24 C ATOM 354 CG2 ILE A 25 20.361 20.431 10.519 1.00 63.12 C ATOM 355 CD1 ILE A 25 22.889 22.567 9.896 1.00 22.11 C ATOM 0 H ILE A 25 24.002 20.281 12.142 1.00 30.14 H new ATOM 0 HA ILE A 25 21.383 20.371 13.118 1.00 2.44 H new ATOM 0 HB ILE A 25 22.451 20.077 10.280 1.00 43.35 H new ATOM 0 HG12 ILE A 25 21.307 22.623 11.327 1.00 62.24 H new ATOM 0 HG13 ILE A 25 22.859 22.146 11.988 1.00 62.24 H new ATOM 0 HG21 ILE A 25 20.258 20.940 9.561 1.00 63.12 H new ATOM 0 HG22 ILE A 25 20.107 19.378 10.399 1.00 63.12 H new ATOM 0 HG23 ILE A 25 19.688 20.886 11.246 1.00 63.12 H new ATOM 0 HD11 ILE A 25 23.145 23.615 10.052 1.00 22.11 H new ATOM 0 HD12 ILE A 25 23.798 21.995 9.709 1.00 22.11 H new ATOM 0 HD13 ILE A 25 22.222 22.480 9.038 1.00 22.11 H new ATOM 367 N GLU A 26 22.360 17.481 11.981 1.00 23.41 N ATOM 368 CA GLU A 26 21.997 16.075 11.840 1.00 11.55 C ATOM 369 C GLU A 26 21.167 15.606 13.032 1.00 54.41 C ATOM 370 O GLU A 26 20.200 14.862 12.874 1.00 13.41 O ATOM 371 CB GLU A 26 23.253 15.212 11.708 1.00 32.44 C ATOM 372 CG GLU A 26 23.197 14.230 10.550 1.00 45.23 C ATOM 373 CD GLU A 26 23.979 12.960 10.823 1.00 30.13 C ATOM 374 OE1 GLU A 26 23.398 12.018 11.400 1.00 34.44 O ATOM 375 OE2 GLU A 26 25.173 12.909 10.459 1.00 33.54 O ATOM 0 H GLU A 26 23.355 17.674 11.865 1.00 23.41 H new ATOM 0 HA GLU A 26 21.396 15.970 10.937 1.00 11.55 H new ATOM 0 HB2 GLU A 26 24.119 15.862 11.581 1.00 32.44 H new ATOM 0 HB3 GLU A 26 23.403 14.659 12.635 1.00 32.44 H new ATOM 0 HG2 GLU A 26 22.157 13.975 10.345 1.00 45.23 H new ATOM 0 HG3 GLU A 26 23.591 14.709 9.653 1.00 45.23 H new ATOM 382 N GLY A 27 21.553 16.047 14.225 1.00 12.44 N ATOM 383 CA GLY A 27 20.835 15.663 15.426 1.00 32.44 C ATOM 384 C GLY A 27 19.426 16.222 15.464 1.00 25.22 C ATOM 385 O GLY A 27 18.528 15.623 16.055 1.00 32.24 O ATOM 0 H GLY A 27 22.350 16.664 14.381 1.00 12.44 H new ATOM 0 HA2 GLY A 27 20.793 14.576 15.488 1.00 32.44 H new ATOM 0 HA3 GLY A 27 21.384 16.011 16.301 1.00 32.44 H new ATOM 389 N LYS A 28 19.232 17.375 14.833 1.00 23.20 N ATOM 390 CA LYS A 28 17.924 18.017 14.796 1.00 34.44 C ATOM 391 C LYS A 28 16.904 17.134 14.084 1.00 62.51 C ATOM 392 O LYS A 28 15.739 17.073 14.476 1.00 52.12 O ATOM 393 CB LYS A 28 18.018 19.373 14.095 1.00 54.43 C ATOM 394 CG LYS A 28 17.626 20.544 14.979 1.00 14.24 C ATOM 395 CD LYS A 28 18.571 20.693 16.159 1.00 23.44 C ATOM 396 CE LYS A 28 18.814 22.155 16.498 1.00 3.43 C ATOM 397 NZ LYS A 28 20.041 22.337 17.323 1.00 50.32 N ATOM 0 H LYS A 28 19.965 17.884 14.340 1.00 23.20 H new ATOM 0 HA LYS A 28 17.593 18.168 15.823 1.00 34.44 H new ATOM 0 HB2 LYS A 28 19.039 19.520 13.743 1.00 54.43 H new ATOM 0 HB3 LYS A 28 17.376 19.363 13.214 1.00 54.43 H new ATOM 0 HG2 LYS A 28 17.629 21.462 14.391 1.00 14.24 H new ATOM 0 HG3 LYS A 28 16.608 20.402 15.343 1.00 14.24 H new ATOM 0 HD2 LYS A 28 18.154 20.182 17.027 1.00 23.44 H new ATOM 0 HD3 LYS A 28 19.520 20.209 15.929 1.00 23.44 H new ATOM 0 HE2 LYS A 28 18.907 22.731 15.577 1.00 3.43 H new ATOM 0 HE3 LYS A 28 17.953 22.551 17.036 1.00 3.43 H new ATOM 0 HZ1 LYS A 28 20.172 23.347 17.533 1.00 50.32 H new ATOM 0 HZ2 LYS A 28 19.942 21.808 18.213 1.00 50.32 H new ATOM 0 HZ3 LYS A 28 20.867 21.983 16.800 1.00 50.32 H new ATOM 411 N VAL A 29 17.351 16.449 13.036 1.00 22.40 N ATOM 412 CA VAL A 29 16.478 15.566 12.271 1.00 44.44 C ATOM 413 C VAL A 29 15.834 14.517 13.169 1.00 72.43 C ATOM 414 O VAL A 29 14.706 14.087 12.927 1.00 33.33 O ATOM 415 CB VAL A 29 17.249 14.857 11.141 1.00 34.11 C ATOM 416 CG1 VAL A 29 17.822 13.537 11.633 1.00 21.20 C ATOM 417 CG2 VAL A 29 16.346 14.639 9.936 1.00 12.42 C ATOM 0 H VAL A 29 18.312 16.489 12.697 1.00 22.40 H new ATOM 0 HA VAL A 29 15.700 16.191 11.833 1.00 44.44 H new ATOM 0 HB VAL A 29 18.078 15.494 10.835 1.00 34.11 H new ATOM 0 HG11 VAL A 29 18.363 13.050 10.822 1.00 21.20 H new ATOM 0 HG12 VAL A 29 18.503 13.723 12.463 1.00 21.20 H new ATOM 0 HG13 VAL A 29 17.011 12.890 11.967 1.00 21.20 H new ATOM 0 HG21 VAL A 29 16.907 14.137 9.147 1.00 12.42 H new ATOM 0 HG22 VAL A 29 15.495 14.022 10.226 1.00 12.42 H new ATOM 0 HG23 VAL A 29 15.988 15.602 9.571 1.00 12.42 H new ATOM 427 N ARG A 30 16.557 14.108 14.206 1.00 45.22 N ATOM 428 CA ARG A 30 16.056 13.108 15.140 1.00 24.34 C ATOM 429 C ARG A 30 14.883 13.657 15.947 1.00 23.42 C ATOM 430 O ARG A 30 14.053 12.899 16.451 1.00 42.45 O ATOM 431 CB ARG A 30 17.172 12.657 16.085 1.00 43.11 C ATOM 432 CG ARG A 30 16.811 11.436 16.915 1.00 4.22 C ATOM 433 CD ARG A 30 18.053 10.724 17.428 1.00 5.53 C ATOM 434 NE ARG A 30 17.720 9.591 18.286 1.00 34.14 N ATOM 435 CZ ARG A 30 17.260 9.718 19.526 1.00 33.01 C ATOM 436 NH1 ARG A 30 17.080 10.923 20.050 1.00 73.34 N ATOM 437 NH2 ARG A 30 16.978 8.639 20.245 1.00 64.54 N ATOM 0 H ARG A 30 17.492 14.454 14.420 1.00 45.22 H new ATOM 0 HA ARG A 30 15.709 12.251 14.563 1.00 24.34 H new ATOM 0 HB2 ARG A 30 18.065 12.437 15.500 1.00 43.11 H new ATOM 0 HB3 ARG A 30 17.424 13.479 16.755 1.00 43.11 H new ATOM 0 HG2 ARG A 30 16.189 11.738 17.758 1.00 4.22 H new ATOM 0 HG3 ARG A 30 16.218 10.748 16.313 1.00 4.22 H new ATOM 0 HD2 ARG A 30 18.646 10.376 16.582 1.00 5.53 H new ATOM 0 HD3 ARG A 30 18.672 11.429 17.983 1.00 5.53 H new ATOM 0 HE ARG A 30 17.847 8.650 17.913 1.00 34.14 H new ATOM 0 HH11 ARG A 30 17.295 11.755 19.501 1.00 73.34 H new ATOM 0 HH12 ARG A 30 16.727 11.017 21.002 1.00 73.34 H new ATOM 0 HH21 ARG A 30 17.114 7.710 19.846 1.00 64.54 H new ATOM 0 HH22 ARG A 30 16.625 8.738 21.197 1.00 64.54 H new ATOM 451 N LYS A 31 14.821 14.978 16.067 1.00 42.53 N ATOM 452 CA LYS A 31 13.750 15.630 16.811 1.00 4.42 C ATOM 453 C LYS A 31 12.491 15.751 15.960 1.00 73.25 C ATOM 454 O LYS A 31 11.398 15.982 16.479 1.00 73.15 O ATOM 455 CB LYS A 31 14.197 17.018 17.278 1.00 23.54 C ATOM 456 CG LYS A 31 15.498 17.005 18.062 1.00 3.41 C ATOM 457 CD LYS A 31 15.303 16.438 19.458 1.00 0.43 C ATOM 458 CE LYS A 31 14.997 17.535 20.467 1.00 30.43 C ATOM 459 NZ LYS A 31 13.538 17.823 20.548 1.00 62.21 N ATOM 0 H LYS A 31 15.501 15.619 15.658 1.00 42.53 H new ATOM 0 HA LYS A 31 13.521 15.016 17.682 1.00 4.42 H new ATOM 0 HB2 LYS A 31 14.313 17.665 16.409 1.00 23.54 H new ATOM 0 HB3 LYS A 31 13.413 17.454 17.898 1.00 23.54 H new ATOM 0 HG2 LYS A 31 16.240 16.411 17.528 1.00 3.41 H new ATOM 0 HG3 LYS A 31 15.892 18.019 18.132 1.00 3.41 H new ATOM 0 HD2 LYS A 31 14.488 15.714 19.447 1.00 0.43 H new ATOM 0 HD3 LYS A 31 16.202 15.902 19.763 1.00 0.43 H new ATOM 0 HE2 LYS A 31 15.363 17.237 21.449 1.00 30.43 H new ATOM 0 HE3 LYS A 31 15.532 18.443 20.189 1.00 30.43 H new ATOM 0 HZ1 LYS A 31 13.315 18.226 21.480 1.00 62.21 H new ATOM 0 HZ2 LYS A 31 13.277 18.502 19.805 1.00 62.21 H new ATOM 0 HZ3 LYS A 31 13.002 16.942 20.415 1.00 62.21 H new ATOM 473 N LEU A 32 12.650 15.591 14.650 1.00 11.44 N ATOM 474 CA LEU A 32 11.525 15.681 13.726 1.00 35.43 C ATOM 475 C LEU A 32 10.693 14.402 13.756 1.00 50.20 C ATOM 476 O LEU A 32 11.236 13.298 13.781 1.00 2.34 O ATOM 477 CB LEU A 32 12.026 15.944 12.305 1.00 33.32 C ATOM 478 CG LEU A 32 11.982 17.399 11.837 1.00 62.42 C ATOM 479 CD1 LEU A 32 10.565 17.794 11.453 1.00 34.23 C ATOM 480 CD2 LEU A 32 12.522 18.323 12.918 1.00 14.43 C ATOM 0 H LEU A 32 13.547 15.398 14.204 1.00 11.44 H new ATOM 0 HA LEU A 32 10.893 16.512 14.041 1.00 35.43 H new ATOM 0 HB2 LEU A 32 13.055 15.591 12.233 1.00 33.32 H new ATOM 0 HB3 LEU A 32 11.433 15.343 11.615 1.00 33.32 H new ATOM 0 HG LEU A 32 12.615 17.496 10.955 1.00 62.42 H new ATOM 0 HD11 LEU A 32 10.554 18.833 11.123 1.00 34.23 H new ATOM 0 HD12 LEU A 32 10.215 17.152 10.645 1.00 34.23 H new ATOM 0 HD13 LEU A 32 9.909 17.681 12.316 1.00 34.23 H new ATOM 0 HD21 LEU A 32 12.483 19.354 12.568 1.00 14.43 H new ATOM 0 HD22 LEU A 32 11.916 18.223 13.819 1.00 14.43 H new ATOM 0 HD23 LEU A 32 13.554 18.055 13.143 1.00 14.43 H new ATOM 492 N GLN A 33 9.373 14.560 13.750 1.00 3.53 N ATOM 493 CA GLN A 33 8.467 13.418 13.775 1.00 3.31 C ATOM 494 C GLN A 33 8.228 12.883 12.367 1.00 21.43 C ATOM 495 O GLN A 33 8.280 11.676 12.134 1.00 20.23 O ATOM 496 CB GLN A 33 7.136 13.811 14.417 1.00 34.43 C ATOM 497 CG GLN A 33 6.427 14.949 13.702 1.00 42.52 C ATOM 498 CD GLN A 33 5.246 15.487 14.486 1.00 62.40 C ATOM 499 OE1 GLN A 33 5.373 16.454 15.237 1.00 24.34 O ATOM 500 NE2 GLN A 33 4.088 14.861 14.315 1.00 73.31 N ATOM 0 H GLN A 33 8.908 15.467 13.728 1.00 3.53 H new ATOM 0 HA GLN A 33 8.930 12.631 14.369 1.00 3.31 H new ATOM 0 HB2 GLN A 33 6.480 12.940 14.436 1.00 34.43 H new ATOM 0 HB3 GLN A 33 7.313 14.099 15.453 1.00 34.43 H new ATOM 0 HG2 GLN A 33 7.136 15.757 13.521 1.00 42.52 H new ATOM 0 HG3 GLN A 33 6.083 14.602 12.727 1.00 42.52 H new ATOM 0 HE21 GLN A 33 4.028 14.063 13.682 1.00 73.31 H new ATOM 0 HE22 GLN A 33 3.258 15.178 14.816 1.00 73.31 H new ATOM 509 N GLY A 34 7.965 13.789 11.431 1.00 43.41 N ATOM 510 CA GLY A 34 7.721 13.388 10.058 1.00 44.43 C ATOM 511 C GLY A 34 9.002 13.076 9.309 1.00 72.22 C ATOM 512 O GLY A 34 9.168 11.977 8.779 1.00 35.35 O ATOM 0 H GLY A 34 7.916 14.794 11.599 1.00 43.41 H new ATOM 0 HA2 GLY A 34 7.075 12.510 10.048 1.00 44.43 H new ATOM 0 HA3 GLY A 34 7.185 14.184 9.540 1.00 44.43 H new ATOM 516 N VAL A 35 9.910 14.045 9.262 1.00 0.22 N ATOM 517 CA VAL A 35 11.182 13.869 8.572 1.00 21.50 C ATOM 518 C VAL A 35 11.810 12.522 8.914 1.00 43.14 C ATOM 519 O VAL A 35 11.723 12.054 10.049 1.00 50.20 O ATOM 520 CB VAL A 35 12.175 14.991 8.928 1.00 12.05 C ATOM 521 CG1 VAL A 35 13.244 14.476 9.880 1.00 41.22 C ATOM 522 CG2 VAL A 35 12.803 15.566 7.668 1.00 10.20 C ATOM 0 H VAL A 35 9.788 14.961 9.694 1.00 0.22 H new ATOM 0 HA VAL A 35 10.970 13.908 7.503 1.00 21.50 H new ATOM 0 HB VAL A 35 11.629 15.789 9.431 1.00 12.05 H new ATOM 0 HG11 VAL A 35 13.937 15.283 10.120 1.00 41.22 H new ATOM 0 HG12 VAL A 35 12.774 14.117 10.795 1.00 41.22 H new ATOM 0 HG13 VAL A 35 13.789 13.659 9.407 1.00 41.22 H new ATOM 0 HG21 VAL A 35 13.502 16.358 7.938 1.00 10.20 H new ATOM 0 HG22 VAL A 35 13.335 14.778 7.135 1.00 10.20 H new ATOM 0 HG23 VAL A 35 12.022 15.975 7.026 1.00 10.20 H new ATOM 532 N VAL A 36 12.445 11.903 7.923 1.00 32.11 N ATOM 533 CA VAL A 36 13.090 10.610 8.119 1.00 51.14 C ATOM 534 C VAL A 36 14.552 10.780 8.515 1.00 21.15 C ATOM 535 O VAL A 36 15.011 10.197 9.498 1.00 13.43 O ATOM 536 CB VAL A 36 13.012 9.746 6.846 1.00 31.21 C ATOM 537 CG1 VAL A 36 13.293 8.287 7.173 1.00 1.10 C ATOM 538 CG2 VAL A 36 11.652 9.899 6.181 1.00 44.20 C ATOM 0 H VAL A 36 12.526 12.276 6.977 1.00 32.11 H new ATOM 0 HA VAL A 36 12.554 10.107 8.924 1.00 51.14 H new ATOM 0 HB VAL A 36 13.774 10.090 6.147 1.00 31.21 H new ATOM 0 HG11 VAL A 36 13.234 7.692 6.262 1.00 1.10 H new ATOM 0 HG12 VAL A 36 14.291 8.196 7.601 1.00 1.10 H new ATOM 0 HG13 VAL A 36 12.556 7.926 7.891 1.00 1.10 H new ATOM 0 HG21 VAL A 36 11.614 9.282 5.283 1.00 44.20 H new ATOM 0 HG22 VAL A 36 10.871 9.582 6.872 1.00 44.20 H new ATOM 0 HG23 VAL A 36 11.495 10.943 5.910 1.00 44.20 H new ATOM 548 N ARG A 37 15.279 11.582 7.745 1.00 43.12 N ATOM 549 CA ARG A 37 16.691 11.828 8.016 1.00 55.45 C ATOM 550 C ARG A 37 17.223 12.958 7.138 1.00 23.43 C ATOM 551 O ARG A 37 16.575 13.369 6.176 1.00 11.42 O ATOM 552 CB ARG A 37 17.507 10.556 7.779 1.00 13.33 C ATOM 553 CG ARG A 37 18.343 10.138 8.977 1.00 2.14 C ATOM 554 CD ARG A 37 18.867 8.719 8.823 1.00 34.33 C ATOM 555 NE ARG A 37 19.711 8.572 7.641 1.00 4.21 N ATOM 556 CZ ARG A 37 20.400 7.471 7.362 1.00 43.21 C ATOM 557 NH1 ARG A 37 20.344 6.426 8.176 1.00 61.14 N ATOM 558 NH2 ARG A 37 21.147 7.414 6.266 1.00 11.15 N ATOM 0 H ARG A 37 14.914 12.073 6.929 1.00 43.12 H new ATOM 0 HA ARG A 37 16.789 12.124 9.060 1.00 55.45 H new ATOM 0 HB2 ARG A 37 16.830 9.743 7.518 1.00 13.33 H new ATOM 0 HB3 ARG A 37 18.165 10.710 6.924 1.00 13.33 H new ATOM 0 HG2 ARG A 37 19.181 10.825 9.095 1.00 2.14 H new ATOM 0 HG3 ARG A 37 17.742 10.209 9.884 1.00 2.14 H new ATOM 0 HD2 ARG A 37 19.436 8.445 9.711 1.00 34.33 H new ATOM 0 HD3 ARG A 37 18.027 8.028 8.757 1.00 34.33 H new ATOM 0 HE ARG A 37 19.775 9.358 6.994 1.00 4.21 H new ATOM 0 HH11 ARG A 37 19.771 6.466 9.019 1.00 61.14 H new ATOM 0 HH12 ARG A 37 20.874 5.582 7.959 1.00 61.14 H new ATOM 0 HH21 ARG A 37 21.192 8.216 5.637 1.00 11.15 H new ATOM 0 HH22 ARG A 37 21.676 6.568 6.053 1.00 11.15 H new ATOM 572 N VAL A 38 18.409 13.455 7.478 1.00 75.24 N ATOM 573 CA VAL A 38 19.029 14.536 6.721 1.00 20.22 C ATOM 574 C VAL A 38 20.367 14.099 6.136 1.00 42.23 C ATOM 575 O VAL A 38 21.198 13.511 6.828 1.00 44.01 O ATOM 576 CB VAL A 38 19.248 15.782 7.600 1.00 74.04 C ATOM 577 CG1 VAL A 38 17.938 16.528 7.804 1.00 72.03 C ATOM 578 CG2 VAL A 38 19.862 15.391 8.935 1.00 34.23 C ATOM 0 H VAL A 38 18.959 13.126 8.272 1.00 75.24 H new ATOM 0 HA VAL A 38 18.346 14.788 5.910 1.00 20.22 H new ATOM 0 HB VAL A 38 19.942 16.449 7.089 1.00 74.04 H new ATOM 0 HG11 VAL A 38 18.112 17.405 8.427 1.00 72.03 H new ATOM 0 HG12 VAL A 38 17.544 16.842 6.838 1.00 72.03 H new ATOM 0 HG13 VAL A 38 17.218 15.872 8.294 1.00 72.03 H new ATOM 0 HG21 VAL A 38 20.010 16.284 9.543 1.00 34.23 H new ATOM 0 HG22 VAL A 38 19.195 14.704 9.455 1.00 34.23 H new ATOM 0 HG23 VAL A 38 20.823 14.905 8.765 1.00 34.23 H new ATOM 588 N LYS A 39 20.570 14.391 4.855 1.00 1.25 N ATOM 589 CA LYS A 39 21.808 14.031 4.175 1.00 43.11 C ATOM 590 C LYS A 39 22.639 15.272 3.865 1.00 64.04 C ATOM 591 O LYS A 39 23.536 15.236 3.022 1.00 40.11 O ATOM 592 CB LYS A 39 21.502 13.273 2.881 1.00 14.13 C ATOM 593 CG LYS A 39 22.729 12.660 2.230 1.00 41.22 C ATOM 594 CD LYS A 39 22.641 11.144 2.191 1.00 24.33 C ATOM 595 CE LYS A 39 23.345 10.576 0.968 1.00 23.45 C ATOM 596 NZ LYS A 39 22.730 9.296 0.519 1.00 41.21 N ATOM 0 H LYS A 39 19.892 14.876 4.267 1.00 1.25 H new ATOM 0 HA LYS A 39 22.383 13.386 4.839 1.00 43.11 H new ATOM 0 HB2 LYS A 39 20.782 12.483 3.094 1.00 14.13 H new ATOM 0 HB3 LYS A 39 21.028 13.954 2.174 1.00 14.13 H new ATOM 0 HG2 LYS A 39 22.835 13.045 1.216 1.00 41.22 H new ATOM 0 HG3 LYS A 39 23.621 12.960 2.779 1.00 41.22 H new ATOM 0 HD2 LYS A 39 23.088 10.729 3.095 1.00 24.33 H new ATOM 0 HD3 LYS A 39 21.594 10.839 2.184 1.00 24.33 H new ATOM 0 HE2 LYS A 39 23.306 11.302 0.156 1.00 23.45 H new ATOM 0 HE3 LYS A 39 24.398 10.412 1.198 1.00 23.45 H new ATOM 0 HZ1 LYS A 39 23.238 8.941 -0.316 1.00 41.21 H new ATOM 0 HZ2 LYS A 39 22.790 8.595 1.285 1.00 41.21 H new ATOM 0 HZ3 LYS A 39 21.732 9.457 0.275 1.00 41.21 H new ATOM 610 N VAL A 40 22.337 16.369 4.552 1.00 35.30 N ATOM 611 CA VAL A 40 23.057 17.620 4.352 1.00 44.05 C ATOM 612 C VAL A 40 24.557 17.376 4.227 1.00 42.31 C ATOM 613 O VAL A 40 25.173 16.770 5.103 1.00 31.14 O ATOM 614 CB VAL A 40 22.803 18.606 5.507 1.00 31.23 C ATOM 615 CG1 VAL A 40 23.499 19.932 5.242 1.00 62.24 C ATOM 616 CG2 VAL A 40 21.310 18.810 5.714 1.00 53.24 C ATOM 0 H VAL A 40 21.597 16.416 5.253 1.00 35.30 H new ATOM 0 HA VAL A 40 22.683 18.055 3.425 1.00 44.05 H new ATOM 0 HB VAL A 40 23.219 18.182 6.421 1.00 31.23 H new ATOM 0 HG11 VAL A 40 23.307 20.615 6.069 1.00 62.24 H new ATOM 0 HG12 VAL A 40 24.572 19.767 5.148 1.00 62.24 H new ATOM 0 HG13 VAL A 40 23.117 20.365 4.318 1.00 62.24 H new ATOM 0 HG21 VAL A 40 21.149 19.510 6.534 1.00 53.24 H new ATOM 0 HG22 VAL A 40 20.868 19.211 4.802 1.00 53.24 H new ATOM 0 HG23 VAL A 40 20.842 17.855 5.954 1.00 53.24 H new ATOM 626 N SER A 41 25.140 17.854 3.132 1.00 73.34 N ATOM 627 CA SER A 41 26.568 17.685 2.890 1.00 72.00 C ATOM 628 C SER A 41 27.295 19.023 2.977 1.00 43.22 C ATOM 629 O SER A 41 27.151 19.880 2.103 1.00 30.43 O ATOM 630 CB SER A 41 26.803 17.052 1.517 1.00 30.12 C ATOM 631 OG SER A 41 28.140 16.600 1.386 1.00 12.31 O ATOM 0 H SER A 41 24.645 18.361 2.398 1.00 73.34 H new ATOM 0 HA SER A 41 26.966 17.024 3.660 1.00 72.00 H new ATOM 0 HB2 SER A 41 26.118 16.216 1.376 1.00 30.12 H new ATOM 0 HB3 SER A 41 26.583 17.779 0.735 1.00 30.12 H new ATOM 0 HG SER A 41 28.264 16.198 0.501 1.00 12.31 H new ATOM 637 N LEU A 42 28.077 19.196 4.037 1.00 44.35 N ATOM 638 CA LEU A 42 28.829 20.430 4.239 1.00 11.15 C ATOM 639 C LEU A 42 29.922 20.581 3.187 1.00 42.33 C ATOM 640 O LEU A 42 30.291 21.696 2.816 1.00 24.44 O ATOM 641 CB LEU A 42 29.446 20.450 5.639 1.00 43.11 C ATOM 642 CG LEU A 42 30.767 19.697 5.801 1.00 42.04 C ATOM 643 CD1 LEU A 42 31.945 20.625 5.546 1.00 21.34 C ATOM 644 CD2 LEU A 42 30.862 19.079 7.188 1.00 64.01 C ATOM 0 H LEU A 42 28.207 18.498 4.769 1.00 44.35 H new ATOM 0 HA LEU A 42 28.138 21.268 4.140 1.00 11.15 H new ATOM 0 HB2 LEU A 42 29.605 21.489 5.929 1.00 43.11 H new ATOM 0 HB3 LEU A 42 28.723 20.030 6.339 1.00 43.11 H new ATOM 0 HG LEU A 42 30.798 18.894 5.065 1.00 42.04 H new ATOM 0 HD11 LEU A 42 32.877 20.072 5.666 1.00 21.34 H new ATOM 0 HD12 LEU A 42 31.885 21.019 4.531 1.00 21.34 H new ATOM 0 HD13 LEU A 42 31.919 21.450 6.258 1.00 21.34 H new ATOM 0 HD21 LEU A 42 31.808 18.547 7.285 1.00 64.01 H new ATOM 0 HD22 LEU A 42 30.808 19.865 7.941 1.00 64.01 H new ATOM 0 HD23 LEU A 42 30.037 18.381 7.333 1.00 64.01 H new ATOM 656 N SER A 43 30.435 19.453 2.707 1.00 73.41 N ATOM 657 CA SER A 43 31.487 19.459 1.697 1.00 0.45 C ATOM 658 C SER A 43 30.944 19.924 0.350 1.00 51.23 C ATOM 659 O SER A 43 31.671 20.499 -0.460 1.00 34.42 O ATOM 660 CB SER A 43 32.100 18.064 1.560 1.00 54.24 C ATOM 661 OG SER A 43 32.613 17.608 2.799 1.00 43.11 O ATOM 0 H SER A 43 30.139 18.522 3.001 1.00 73.41 H new ATOM 0 HA SER A 43 32.260 20.157 2.017 1.00 0.45 H new ATOM 0 HB2 SER A 43 31.346 17.366 1.196 1.00 54.24 H new ATOM 0 HB3 SER A 43 32.898 18.086 0.818 1.00 54.24 H new ATOM 0 HG SER A 43 32.997 16.714 2.685 1.00 43.11 H new ATOM 667 N ASN A 44 29.660 19.671 0.117 1.00 61.31 N ATOM 668 CA ASN A 44 29.018 20.062 -1.133 1.00 1.13 C ATOM 669 C ASN A 44 28.237 21.361 -0.959 1.00 52.14 C ATOM 670 O ASN A 44 27.579 21.829 -1.888 1.00 42.32 O ATOM 671 CB ASN A 44 28.084 18.953 -1.619 1.00 75.25 C ATOM 672 CG ASN A 44 27.689 19.126 -3.074 1.00 30.25 C ATOM 673 OD1 ASN A 44 26.752 19.858 -3.391 1.00 74.01 O ATOM 674 ND2 ASN A 44 28.405 18.450 -3.965 1.00 12.10 N ATOM 0 H ASN A 44 29.044 19.197 0.777 1.00 61.31 H new ATOM 0 HA ASN A 44 29.797 20.224 -1.878 1.00 1.13 H new ATOM 0 HB2 ASN A 44 28.573 17.987 -1.490 1.00 75.25 H new ATOM 0 HB3 ASN A 44 27.186 18.941 -1.001 1.00 75.25 H new ATOM 0 HD21 ASN A 44 28.186 18.526 -4.958 1.00 12.10 H new ATOM 0 HD22 ASN A 44 29.173 17.855 -3.656 1.00 12.10 H new ATOM 681 N GLN A 45 28.315 21.937 0.236 1.00 41.22 N ATOM 682 CA GLN A 45 27.615 23.182 0.531 1.00 62.05 C ATOM 683 C GLN A 45 26.132 23.064 0.197 1.00 53.41 C ATOM 684 O GLN A 45 25.523 24.009 -0.305 1.00 34.42 O ATOM 685 CB GLN A 45 28.236 24.339 -0.254 1.00 4.02 C ATOM 686 CG GLN A 45 29.749 24.421 -0.122 1.00 74.32 C ATOM 687 CD GLN A 45 30.335 25.613 -0.853 1.00 75.52 C ATOM 688 OE1 GLN A 45 29.633 26.316 -1.581 1.00 34.25 O ATOM 689 NE2 GLN A 45 31.628 25.846 -0.663 1.00 52.54 N ATOM 0 H GLN A 45 28.856 21.562 1.015 1.00 41.22 H new ATOM 0 HA GLN A 45 27.714 23.382 1.598 1.00 62.05 H new ATOM 0 HB2 GLN A 45 27.977 24.233 -1.307 1.00 4.02 H new ATOM 0 HB3 GLN A 45 27.798 25.276 0.089 1.00 4.02 H new ATOM 0 HG2 GLN A 45 30.015 24.480 0.933 1.00 74.32 H new ATOM 0 HG3 GLN A 45 30.194 23.506 -0.512 1.00 74.32 H new ATOM 0 HE21 GLN A 45 32.171 25.237 -0.051 1.00 52.54 H new ATOM 0 HE22 GLN A 45 32.078 26.634 -1.129 1.00 52.54 H new ATOM 698 N GLU A 46 25.557 21.899 0.479 1.00 41.23 N ATOM 699 CA GLU A 46 24.145 21.659 0.207 1.00 52.02 C ATOM 700 C GLU A 46 23.462 21.012 1.408 1.00 32.31 C ATOM 701 O GLU A 46 24.119 20.426 2.268 1.00 61.01 O ATOM 702 CB GLU A 46 23.984 20.768 -1.026 1.00 65.44 C ATOM 703 CG GLU A 46 24.047 19.282 -0.716 1.00 21.44 C ATOM 704 CD GLU A 46 24.600 18.467 -1.869 1.00 54.11 C ATOM 705 OE1 GLU A 46 24.201 18.726 -3.024 1.00 4.52 O ATOM 706 OE2 GLU A 46 25.431 17.570 -1.616 1.00 70.14 O ATOM 0 H GLU A 46 26.047 21.107 0.895 1.00 41.23 H new ATOM 0 HA GLU A 46 23.670 22.621 0.015 1.00 52.02 H new ATOM 0 HB2 GLU A 46 23.029 20.991 -1.503 1.00 65.44 H new ATOM 0 HB3 GLU A 46 24.765 21.014 -1.746 1.00 65.44 H new ATOM 0 HG2 GLU A 46 24.668 19.125 0.166 1.00 21.44 H new ATOM 0 HG3 GLU A 46 23.048 18.924 -0.469 1.00 21.44 H new ATOM 713 N ALA A 47 22.139 21.123 1.460 1.00 75.12 N ATOM 714 CA ALA A 47 21.366 20.548 2.554 1.00 72.12 C ATOM 715 C ALA A 47 20.201 19.718 2.026 1.00 74.31 C ATOM 716 O ALA A 47 19.346 20.222 1.297 1.00 61.30 O ATOM 717 CB ALA A 47 20.858 21.647 3.476 1.00 25.51 C ATOM 0 H ALA A 47 21.580 21.606 0.757 1.00 75.12 H new ATOM 0 HA ALA A 47 22.022 19.887 3.121 1.00 72.12 H new ATOM 0 HB1 ALA A 47 20.282 21.203 4.288 1.00 25.51 H new ATOM 0 HB2 ALA A 47 21.704 22.196 3.889 1.00 25.51 H new ATOM 0 HB3 ALA A 47 20.223 22.330 2.912 1.00 25.51 H new ATOM 723 N VAL A 48 20.172 18.442 2.398 1.00 25.10 N ATOM 724 CA VAL A 48 19.112 17.542 1.962 1.00 34.42 C ATOM 725 C VAL A 48 18.218 17.139 3.130 1.00 41.20 C ATOM 726 O VAL A 48 18.703 16.693 4.170 1.00 33.32 O ATOM 727 CB VAL A 48 19.687 16.271 1.309 1.00 51.14 C ATOM 728 CG1 VAL A 48 18.569 15.310 0.933 1.00 10.35 C ATOM 729 CG2 VAL A 48 20.523 16.631 0.090 1.00 40.31 C ATOM 0 H VAL A 48 20.871 18.009 3.001 1.00 25.10 H new ATOM 0 HA VAL A 48 18.520 18.085 1.225 1.00 34.42 H new ATOM 0 HB VAL A 48 20.333 15.773 2.032 1.00 51.14 H new ATOM 0 HG11 VAL A 48 18.995 14.418 0.473 1.00 10.35 H new ATOM 0 HG12 VAL A 48 18.016 15.027 1.829 1.00 10.35 H new ATOM 0 HG13 VAL A 48 17.894 15.795 0.228 1.00 10.35 H new ATOM 0 HG21 VAL A 48 20.922 15.721 -0.359 1.00 40.31 H new ATOM 0 HG22 VAL A 48 19.900 17.152 -0.637 1.00 40.31 H new ATOM 0 HG23 VAL A 48 21.347 17.278 0.392 1.00 40.31 H new ATOM 739 N ILE A 49 16.911 17.300 2.951 1.00 64.24 N ATOM 740 CA ILE A 49 15.950 16.951 3.989 1.00 13.51 C ATOM 741 C ILE A 49 14.971 15.890 3.499 1.00 63.34 C ATOM 742 O ILE A 49 14.130 16.153 2.638 1.00 5.53 O ATOM 743 CB ILE A 49 15.157 18.186 4.459 1.00 23.54 C ATOM 744 CG1 ILE A 49 16.109 19.254 5.002 1.00 62.33 C ATOM 745 CG2 ILE A 49 14.139 17.789 5.518 1.00 50.21 C ATOM 746 CD1 ILE A 49 15.869 20.629 4.420 1.00 52.05 C ATOM 0 H ILE A 49 16.494 17.670 2.097 1.00 64.24 H new ATOM 0 HA ILE A 49 16.522 16.554 4.828 1.00 13.51 H new ATOM 0 HB ILE A 49 14.622 18.603 3.606 1.00 23.54 H new ATOM 0 HG12 ILE A 49 16.006 19.304 6.086 1.00 62.33 H new ATOM 0 HG13 ILE A 49 17.136 18.954 4.793 1.00 62.33 H new ATOM 0 HG21 ILE A 49 13.586 18.671 5.840 1.00 50.21 H new ATOM 0 HG22 ILE A 49 13.445 17.059 5.100 1.00 50.21 H new ATOM 0 HG23 ILE A 49 14.655 17.352 6.373 1.00 50.21 H new ATOM 0 HD11 ILE A 49 16.579 21.335 4.850 1.00 52.05 H new ATOM 0 HD12 ILE A 49 16.001 20.594 3.339 1.00 52.05 H new ATOM 0 HD13 ILE A 49 14.853 20.950 4.652 1.00 52.05 H new ATOM 758 N THR A 50 15.085 14.687 4.053 1.00 60.41 N ATOM 759 CA THR A 50 14.211 13.584 3.673 1.00 14.30 C ATOM 760 C THR A 50 12.986 13.517 4.578 1.00 53.21 C ATOM 761 O THR A 50 13.109 13.432 5.800 1.00 15.40 O ATOM 762 CB THR A 50 14.951 12.235 3.730 1.00 70.35 C ATOM 763 OG1 THR A 50 16.097 12.268 2.871 1.00 13.23 O ATOM 764 CG2 THR A 50 14.032 11.096 3.313 1.00 25.24 C ATOM 0 H THR A 50 15.775 14.452 4.767 1.00 60.41 H new ATOM 0 HA THR A 50 13.893 13.772 2.648 1.00 14.30 H new ATOM 0 HB THR A 50 15.272 12.065 4.758 1.00 70.35 H new ATOM 0 HG1 THR A 50 16.563 11.407 2.914 1.00 13.23 H new ATOM 0 HG21 THR A 50 14.577 10.153 3.361 1.00 25.24 H new ATOM 0 HG22 THR A 50 13.175 11.055 3.986 1.00 25.24 H new ATOM 0 HG23 THR A 50 13.685 11.263 2.293 1.00 25.24 H new ATOM 772 N TYR A 51 11.805 13.555 3.971 1.00 52.13 N ATOM 773 CA TYR A 51 10.557 13.500 4.723 1.00 53.35 C ATOM 774 C TYR A 51 9.555 12.567 4.049 1.00 65.02 C ATOM 775 O TYR A 51 9.761 12.134 2.915 1.00 33.13 O ATOM 776 CB TYR A 51 9.956 14.900 4.856 1.00 14.52 C ATOM 777 CG TYR A 51 9.024 15.270 3.724 1.00 41.20 C ATOM 778 CD1 TYR A 51 9.502 15.433 2.430 1.00 61.44 C ATOM 779 CD2 TYR A 51 7.666 15.456 3.949 1.00 55.12 C ATOM 780 CE1 TYR A 51 8.655 15.771 1.393 1.00 53.15 C ATOM 781 CE2 TYR A 51 6.810 15.793 2.917 1.00 5.24 C ATOM 782 CZ TYR A 51 7.310 15.950 1.641 1.00 11.13 C ATOM 783 OH TYR A 51 6.462 16.286 0.611 1.00 63.14 O ATOM 0 H TYR A 51 11.686 13.624 2.960 1.00 52.13 H new ATOM 0 HA TYR A 51 10.778 13.110 5.717 1.00 53.35 H new ATOM 0 HB2 TYR A 51 9.412 14.965 5.799 1.00 14.52 H new ATOM 0 HB3 TYR A 51 10.764 15.630 4.903 1.00 14.52 H new ATOM 0 HD1 TYR A 51 10.554 15.293 2.231 1.00 61.44 H new ATOM 0 HD2 TYR A 51 7.272 15.335 4.947 1.00 55.12 H new ATOM 0 HE1 TYR A 51 9.044 15.895 0.393 1.00 53.15 H new ATOM 0 HE2 TYR A 51 5.756 15.932 3.109 1.00 5.24 H new ATOM 0 HH TYR A 51 5.688 15.685 0.615 1.00 63.14 H new ATOM 793 N GLN A 52 8.472 12.263 4.756 1.00 72.33 N ATOM 794 CA GLN A 52 7.438 11.381 4.227 1.00 61.12 C ATOM 795 C GLN A 52 6.083 12.080 4.209 1.00 12.22 C ATOM 796 O GLN A 52 5.689 12.749 5.165 1.00 24.32 O ATOM 797 CB GLN A 52 7.354 10.101 5.060 1.00 1.25 C ATOM 798 CG GLN A 52 6.725 8.933 4.319 1.00 32.55 C ATOM 799 CD GLN A 52 6.964 7.605 5.012 1.00 43.41 C ATOM 800 OE1 GLN A 52 7.769 6.792 4.558 1.00 22.40 O ATOM 801 NE2 GLN A 52 6.265 7.380 6.118 1.00 71.31 N ATOM 0 H GLN A 52 8.287 12.614 5.696 1.00 72.33 H new ATOM 0 HA GLN A 52 7.706 11.122 3.203 1.00 61.12 H new ATOM 0 HB2 GLN A 52 8.357 9.819 5.380 1.00 1.25 H new ATOM 0 HB3 GLN A 52 6.776 10.302 5.962 1.00 1.25 H new ATOM 0 HG2 GLN A 52 5.652 9.102 4.226 1.00 32.55 H new ATOM 0 HG3 GLN A 52 7.130 8.889 3.308 1.00 32.55 H new ATOM 0 HE21 GLN A 52 5.608 8.083 6.458 1.00 71.31 H new ATOM 0 HE22 GLN A 52 6.385 6.505 6.628 1.00 71.31 H new ATOM 810 N PRO A 53 5.350 11.924 3.096 1.00 4.24 N ATOM 811 CA PRO A 53 4.028 12.533 2.928 1.00 54.15 C ATOM 812 C PRO A 53 2.976 11.893 3.827 1.00 12.32 C ATOM 813 O PRO A 53 1.902 12.457 4.042 1.00 64.03 O ATOM 814 CB PRO A 53 3.702 12.272 1.455 1.00 62.22 C ATOM 815 CG PRO A 53 4.497 11.063 1.100 1.00 62.11 C ATOM 816 CD PRO A 53 5.757 11.141 1.918 1.00 72.05 C ATOM 0 HA PRO A 53 4.029 13.589 3.199 1.00 54.15 H new ATOM 0 HB2 PRO A 53 2.635 12.101 1.310 1.00 62.22 H new ATOM 0 HB3 PRO A 53 3.976 13.123 0.832 1.00 62.22 H new ATOM 0 HG2 PRO A 53 3.942 10.152 1.324 1.00 62.11 H new ATOM 0 HG3 PRO A 53 4.724 11.044 0.034 1.00 62.11 H new ATOM 0 HD2 PRO A 53 6.116 10.151 2.198 1.00 72.05 H new ATOM 0 HD3 PRO A 53 6.563 11.629 1.370 1.00 72.05 H new ATOM 824 N TYR A 54 3.291 10.714 4.351 1.00 34.02 N ATOM 825 CA TYR A 54 2.371 9.997 5.226 1.00 23.45 C ATOM 826 C TYR A 54 2.440 10.539 6.651 1.00 62.02 C ATOM 827 O TYR A 54 1.561 10.274 7.472 1.00 51.41 O ATOM 828 CB TYR A 54 2.692 8.501 5.222 1.00 3.13 C ATOM 829 CG TYR A 54 2.056 7.742 6.365 1.00 70.14 C ATOM 830 CD1 TYR A 54 2.696 7.630 7.593 1.00 62.04 C ATOM 831 CD2 TYR A 54 0.814 7.137 6.216 1.00 13.40 C ATOM 832 CE1 TYR A 54 2.119 6.937 8.639 1.00 73.34 C ATOM 833 CE2 TYR A 54 0.228 6.443 7.257 1.00 11.41 C ATOM 834 CZ TYR A 54 0.885 6.345 8.466 1.00 15.41 C ATOM 835 OH TYR A 54 0.305 5.655 9.506 1.00 3.11 O ATOM 0 H TYR A 54 4.176 10.235 4.185 1.00 34.02 H new ATOM 0 HA TYR A 54 1.360 10.146 4.848 1.00 23.45 H new ATOM 0 HB2 TYR A 54 2.357 8.069 4.279 1.00 3.13 H new ATOM 0 HB3 TYR A 54 3.773 8.370 5.267 1.00 3.13 H new ATOM 0 HD1 TYR A 54 3.662 8.093 7.732 1.00 62.04 H new ATOM 0 HD2 TYR A 54 0.298 7.211 5.270 1.00 13.40 H new ATOM 0 HE1 TYR A 54 2.631 6.859 9.587 1.00 73.34 H new ATOM 0 HE2 TYR A 54 -0.739 5.980 7.125 1.00 11.41 H new ATOM 0 HH TYR A 54 -0.563 5.301 9.220 1.00 3.11 H new ATOM 845 N LEU A 55 3.491 11.300 6.937 1.00 71.23 N ATOM 846 CA LEU A 55 3.676 11.882 8.262 1.00 63.34 C ATOM 847 C LEU A 55 3.566 13.402 8.209 1.00 41.11 C ATOM 848 O LEU A 55 2.604 13.982 8.712 1.00 13.15 O ATOM 849 CB LEU A 55 5.037 11.477 8.832 1.00 13.00 C ATOM 850 CG LEU A 55 5.410 10.001 8.695 1.00 71.45 C ATOM 851 CD1 LEU A 55 6.921 9.828 8.710 1.00 12.21 C ATOM 852 CD2 LEU A 55 4.766 9.182 9.804 1.00 5.24 C ATOM 0 H LEU A 55 4.228 11.528 6.269 1.00 71.23 H new ATOM 0 HA LEU A 55 2.888 11.502 8.913 1.00 63.34 H new ATOM 0 HB2 LEU A 55 5.806 12.073 8.340 1.00 13.00 H new ATOM 0 HB3 LEU A 55 5.058 11.740 9.890 1.00 13.00 H new ATOM 0 HG LEU A 55 5.033 9.639 7.738 1.00 71.45 H new ATOM 0 HD11 LEU A 55 7.167 8.771 8.611 1.00 12.21 H new ATOM 0 HD12 LEU A 55 7.359 10.381 7.879 1.00 12.21 H new ATOM 0 HD13 LEU A 55 7.321 10.208 9.650 1.00 12.21 H new ATOM 0 HD21 LEU A 55 5.043 8.134 9.690 1.00 5.24 H new ATOM 0 HD22 LEU A 55 5.111 9.545 10.772 1.00 5.24 H new ATOM 0 HD23 LEU A 55 3.682 9.279 9.746 1.00 5.24 H new ATOM 864 N ILE A 56 4.556 14.041 7.595 1.00 61.13 N ATOM 865 CA ILE A 56 4.568 15.493 7.473 1.00 1.44 C ATOM 866 C ILE A 56 4.586 15.923 6.010 1.00 35.33 C ATOM 867 O ILE A 56 5.047 15.183 5.142 1.00 22.32 O ATOM 868 CB ILE A 56 5.784 16.108 8.192 1.00 51.24 C ATOM 869 CG1 ILE A 56 5.642 17.630 8.270 1.00 71.33 C ATOM 870 CG2 ILE A 56 7.071 15.727 7.475 1.00 32.03 C ATOM 871 CD1 ILE A 56 6.815 18.313 8.937 1.00 64.34 C ATOM 0 H ILE A 56 5.360 13.576 7.174 1.00 61.13 H new ATOM 0 HA ILE A 56 3.655 15.856 7.944 1.00 1.44 H new ATOM 0 HB ILE A 56 5.826 15.713 9.207 1.00 51.24 H new ATOM 0 HG12 ILE A 56 5.525 18.028 7.262 1.00 71.33 H new ATOM 0 HG13 ILE A 56 4.731 17.874 8.816 1.00 71.33 H new ATOM 0 HG21 ILE A 56 7.921 16.169 7.994 1.00 32.03 H new ATOM 0 HG22 ILE A 56 7.175 14.642 7.466 1.00 32.03 H new ATOM 0 HG23 ILE A 56 7.040 16.097 6.450 1.00 32.03 H new ATOM 0 HD11 ILE A 56 6.646 19.390 8.957 1.00 64.34 H new ATOM 0 HD12 ILE A 56 6.920 17.943 9.957 1.00 64.34 H new ATOM 0 HD13 ILE A 56 7.726 18.099 8.378 1.00 64.34 H new ATOM 883 N GLN A 57 4.081 17.124 5.746 1.00 60.54 N ATOM 884 CA GLN A 57 4.040 17.652 4.387 1.00 31.31 C ATOM 885 C GLN A 57 5.342 18.366 4.041 1.00 64.40 C ATOM 886 O GLN A 57 6.172 18.649 4.905 1.00 11.34 O ATOM 887 CB GLN A 57 2.860 18.612 4.226 1.00 31.22 C ATOM 888 CG GLN A 57 1.674 18.001 3.498 1.00 54.01 C ATOM 889 CD GLN A 57 0.730 19.048 2.939 1.00 61.31 C ATOM 890 OE1 GLN A 57 0.906 20.245 3.168 1.00 20.33 O ATOM 891 NE2 GLN A 57 -0.279 18.601 2.200 1.00 0.40 N ATOM 0 H GLN A 57 3.695 17.749 6.454 1.00 60.54 H new ATOM 0 HA GLN A 57 3.914 16.814 3.702 1.00 31.31 H new ATOM 0 HB2 GLN A 57 2.537 18.947 5.212 1.00 31.22 H new ATOM 0 HB3 GLN A 57 3.193 19.496 3.683 1.00 31.22 H new ATOM 0 HG2 GLN A 57 2.036 17.373 2.684 1.00 54.01 H new ATOM 0 HG3 GLN A 57 1.127 17.353 4.182 1.00 54.01 H new ATOM 0 HE21 GLN A 57 -0.387 17.600 2.036 1.00 0.40 H new ATOM 0 HE22 GLN A 57 -0.946 19.259 1.797 1.00 0.40 H new ATOM 900 N PRO A 58 5.529 18.663 2.746 1.00 14.45 N ATOM 901 CA PRO A 58 6.729 19.348 2.256 1.00 15.13 C ATOM 902 C PRO A 58 6.787 20.806 2.701 1.00 33.51 C ATOM 903 O PRO A 58 7.824 21.283 3.159 1.00 23.41 O ATOM 904 CB PRO A 58 6.591 19.259 0.734 1.00 23.54 C ATOM 905 CG PRO A 58 5.127 19.129 0.493 1.00 30.41 C ATOM 906 CD PRO A 58 4.582 18.355 1.662 1.00 52.14 C ATOM 0 HA PRO A 58 7.643 18.896 2.642 1.00 15.13 H new ATOM 0 HB2 PRO A 58 6.995 20.147 0.247 1.00 23.54 H new ATOM 0 HB3 PRO A 58 7.135 18.402 0.337 1.00 23.54 H new ATOM 0 HG2 PRO A 58 4.655 20.109 0.420 1.00 30.41 H new ATOM 0 HG3 PRO A 58 4.930 18.609 -0.445 1.00 30.41 H new ATOM 0 HD2 PRO A 58 3.568 18.667 1.913 1.00 52.14 H new ATOM 0 HD3 PRO A 58 4.544 17.286 1.453 1.00 52.14 H new ATOM 914 N GLU A 59 5.666 21.507 2.563 1.00 32.12 N ATOM 915 CA GLU A 59 5.591 22.911 2.951 1.00 22.51 C ATOM 916 C GLU A 59 5.840 23.075 4.448 1.00 41.44 C ATOM 917 O GLU A 59 6.428 24.065 4.885 1.00 62.24 O ATOM 918 CB GLU A 59 4.225 23.492 2.583 1.00 13.41 C ATOM 919 CG GLU A 59 4.241 24.328 1.314 1.00 13.12 C ATOM 920 CD GLU A 59 3.010 24.110 0.456 1.00 35.04 C ATOM 921 OE1 GLU A 59 1.886 24.219 0.991 1.00 64.30 O ATOM 922 OE2 GLU A 59 3.170 23.831 -0.750 1.00 71.43 O ATOM 0 H GLU A 59 4.798 21.126 2.186 1.00 32.12 H new ATOM 0 HA GLU A 59 6.366 23.454 2.410 1.00 22.51 H new ATOM 0 HB2 GLU A 59 3.513 22.676 2.461 1.00 13.41 H new ATOM 0 HB3 GLU A 59 3.867 24.107 3.409 1.00 13.41 H new ATOM 0 HG2 GLU A 59 4.312 25.383 1.579 1.00 13.12 H new ATOM 0 HG3 GLU A 59 5.131 24.084 0.734 1.00 13.12 H new ATOM 929 N ASP A 60 5.388 22.100 5.227 1.00 32.34 N ATOM 930 CA ASP A 60 5.561 22.135 6.675 1.00 42.21 C ATOM 931 C ASP A 60 7.032 21.985 7.050 1.00 62.51 C ATOM 932 O ASP A 60 7.528 22.665 7.949 1.00 53.30 O ATOM 933 CB ASP A 60 4.738 21.029 7.336 1.00 73.20 C ATOM 934 CG ASP A 60 3.608 21.577 8.186 1.00 24.10 C ATOM 935 OD1 ASP A 60 2.866 22.453 7.694 1.00 23.11 O ATOM 936 OD2 ASP A 60 3.466 21.129 9.343 1.00 41.31 O ATOM 0 H ASP A 60 4.899 21.275 4.881 1.00 32.34 H new ATOM 0 HA ASP A 60 5.209 23.102 7.035 1.00 42.21 H new ATOM 0 HB2 ASP A 60 4.326 20.377 6.566 1.00 73.20 H new ATOM 0 HB3 ASP A 60 5.391 20.416 7.957 1.00 73.20 H new ATOM 941 N LEU A 61 7.725 21.088 6.356 1.00 3.33 N ATOM 942 CA LEU A 61 9.140 20.847 6.617 1.00 63.12 C ATOM 943 C LEU A 61 9.976 22.074 6.266 1.00 74.01 C ATOM 944 O LEU A 61 11.111 22.214 6.720 1.00 43.50 O ATOM 945 CB LEU A 61 9.628 19.638 5.816 1.00 55.10 C ATOM 946 CG LEU A 61 10.292 19.946 4.473 1.00 33.15 C ATOM 947 CD1 LEU A 61 11.784 20.173 4.656 1.00 24.11 C ATOM 948 CD2 LEU A 61 10.039 18.819 3.483 1.00 61.13 C ATOM 0 H LEU A 61 7.330 20.516 5.609 1.00 3.33 H new ATOM 0 HA LEU A 61 9.258 20.642 7.681 1.00 63.12 H new ATOM 0 HB2 LEU A 61 10.337 19.083 6.430 1.00 55.10 H new ATOM 0 HB3 LEU A 61 8.778 18.980 5.636 1.00 55.10 H new ATOM 0 HG LEU A 61 9.853 20.860 4.072 1.00 33.15 H new ATOM 0 HD11 LEU A 61 12.240 20.391 3.690 1.00 24.11 H new ATOM 0 HD12 LEU A 61 11.944 21.014 5.331 1.00 24.11 H new ATOM 0 HD13 LEU A 61 12.239 19.277 5.078 1.00 24.11 H new ATOM 0 HD21 LEU A 61 10.519 19.055 2.533 1.00 61.13 H new ATOM 0 HD22 LEU A 61 10.451 17.890 3.877 1.00 61.13 H new ATOM 0 HD23 LEU A 61 8.966 18.704 3.329 1.00 61.13 H new ATOM 960 N ARG A 62 9.405 22.960 5.457 1.00 53.50 N ATOM 961 CA ARG A 62 10.096 24.176 5.046 1.00 3.42 C ATOM 962 C ARG A 62 10.472 25.024 6.258 1.00 21.12 C ATOM 963 O ARG A 62 11.571 25.574 6.327 1.00 65.23 O ATOM 964 CB ARG A 62 9.219 24.991 4.093 1.00 31.55 C ATOM 965 CG ARG A 62 9.911 26.220 3.528 1.00 24.14 C ATOM 966 CD ARG A 62 10.328 26.009 2.081 1.00 33.01 C ATOM 967 NE ARG A 62 9.343 26.545 1.145 1.00 44.12 N ATOM 968 CZ ARG A 62 9.618 26.841 -0.121 1.00 20.22 C ATOM 969 NH1 ARG A 62 10.840 26.653 -0.599 1.00 4.13 N ATOM 970 NH2 ARG A 62 8.669 27.325 -0.911 1.00 74.03 N ATOM 0 H ARG A 62 8.465 22.859 5.073 1.00 53.50 H new ATOM 0 HA ARG A 62 11.010 23.886 4.528 1.00 3.42 H new ATOM 0 HB2 ARG A 62 8.902 24.352 3.269 1.00 31.55 H new ATOM 0 HB3 ARG A 62 8.317 25.303 4.620 1.00 31.55 H new ATOM 0 HG2 ARG A 62 9.242 27.078 3.593 1.00 24.14 H new ATOM 0 HG3 ARG A 62 10.789 26.454 4.130 1.00 24.14 H new ATOM 0 HD2 ARG A 62 11.291 26.488 1.908 1.00 33.01 H new ATOM 0 HD3 ARG A 62 10.464 24.944 1.894 1.00 33.01 H new ATOM 0 HE ARG A 62 8.393 26.701 1.481 1.00 44.12 H new ATOM 0 HH11 ARG A 62 11.572 26.280 0.005 1.00 4.13 H new ATOM 0 HH12 ARG A 62 11.048 26.881 -1.571 1.00 4.13 H new ATOM 0 HH21 ARG A 62 7.727 27.470 -0.547 1.00 74.03 H new ATOM 0 HH22 ARG A 62 8.881 27.552 -1.883 1.00 74.03 H new ATOM 984 N ASP A 63 9.552 25.125 7.211 1.00 61.00 N ATOM 985 CA ASP A 63 9.787 25.905 8.421 1.00 74.13 C ATOM 986 C ASP A 63 10.903 25.288 9.257 1.00 21.32 C ATOM 987 O ASP A 63 11.718 25.999 9.846 1.00 15.23 O ATOM 988 CB ASP A 63 8.504 25.999 9.249 1.00 3.10 C ATOM 989 CG ASP A 63 7.309 26.427 8.420 1.00 64.43 C ATOM 990 OD1 ASP A 63 7.349 27.538 7.851 1.00 73.23 O ATOM 991 OD2 ASP A 63 6.335 25.650 8.339 1.00 64.42 O ATOM 0 H ASP A 63 8.637 24.677 7.169 1.00 61.00 H new ATOM 0 HA ASP A 63 10.093 26.908 8.124 1.00 74.13 H new ATOM 0 HB2 ASP A 63 8.298 25.031 9.705 1.00 3.10 H new ATOM 0 HB3 ASP A 63 8.651 26.710 10.062 1.00 3.10 H new ATOM 996 N HIS A 64 10.934 23.960 9.306 1.00 63.32 N ATOM 997 CA HIS A 64 11.951 23.246 10.071 1.00 52.41 C ATOM 998 C HIS A 64 13.352 23.679 9.649 1.00 73.13 C ATOM 999 O HIS A 64 14.248 23.816 10.482 1.00 72.13 O ATOM 1000 CB HIS A 64 11.793 21.737 9.886 1.00 70.13 C ATOM 1001 CG HIS A 64 12.973 20.948 10.364 1.00 14.15 C ATOM 1002 ND1 HIS A 64 13.691 21.279 11.494 1.00 33.33 N ATOM 1003 CD2 HIS A 64 13.558 19.836 9.861 1.00 51.55 C ATOM 1004 CE1 HIS A 64 14.668 20.406 11.664 1.00 74.24 C ATOM 1005 NE2 HIS A 64 14.609 19.520 10.686 1.00 72.22 N ATOM 0 H HIS A 64 10.267 23.356 8.825 1.00 63.32 H new ATOM 0 HA HIS A 64 11.816 23.491 11.125 1.00 52.41 H new ATOM 0 HB2 HIS A 64 10.903 21.405 10.421 1.00 70.13 H new ATOM 0 HB3 HIS A 64 11.628 21.524 8.830 1.00 70.13 H new ATOM 0 HD2 HIS A 64 13.255 19.297 8.975 1.00 51.55 H new ATOM 0 HE1 HIS A 64 15.391 20.415 12.466 1.00 74.24 H new ATOM 0 HE2 HIS A 64 15.242 18.729 10.564 1.00 72.22 H new ATOM 1013 N VAL A 65 13.534 23.892 8.349 1.00 33.32 N ATOM 1014 CA VAL A 65 14.825 24.309 7.816 1.00 22.14 C ATOM 1015 C VAL A 65 15.294 25.606 8.465 1.00 40.51 C ATOM 1016 O VAL A 65 16.456 25.736 8.848 1.00 12.12 O ATOM 1017 CB VAL A 65 14.766 24.503 6.290 1.00 62.05 C ATOM 1018 CG1 VAL A 65 16.155 24.775 5.732 1.00 52.43 C ATOM 1019 CG2 VAL A 65 14.144 23.286 5.622 1.00 54.11 C ATOM 0 H VAL A 65 12.803 23.782 7.646 1.00 33.32 H new ATOM 0 HA VAL A 65 15.534 23.514 8.046 1.00 22.14 H new ATOM 0 HB VAL A 65 14.138 25.368 6.075 1.00 62.05 H new ATOM 0 HG11 VAL A 65 16.093 24.909 4.652 1.00 52.43 H new ATOM 0 HG12 VAL A 65 16.560 25.679 6.188 1.00 52.43 H new ATOM 0 HG13 VAL A 65 16.809 23.932 5.956 1.00 52.43 H new ATOM 0 HG21 VAL A 65 14.110 23.440 4.544 1.00 54.11 H new ATOM 0 HG22 VAL A 65 14.744 22.403 5.844 1.00 54.11 H new ATOM 0 HG23 VAL A 65 13.132 23.141 6.000 1.00 54.11 H new ATOM 1029 N ASN A 66 14.381 26.565 8.585 1.00 43.11 N ATOM 1030 CA ASN A 66 14.701 27.854 9.188 1.00 43.15 C ATOM 1031 C ASN A 66 15.074 27.690 10.658 1.00 73.31 C ATOM 1032 O ASN A 66 15.796 28.512 11.221 1.00 24.35 O ATOM 1033 CB ASN A 66 13.515 28.811 9.054 1.00 3.41 C ATOM 1034 CG ASN A 66 13.854 30.041 8.234 1.00 4.33 C ATOM 1035 OD1 ASN A 66 14.354 31.035 8.763 1.00 65.45 O ATOM 1036 ND2 ASN A 66 13.583 29.980 6.936 1.00 52.01 N ATOM 0 H ASN A 66 13.414 26.474 8.273 1.00 43.11 H new ATOM 0 HA ASN A 66 15.558 28.272 8.659 1.00 43.15 H new ATOM 0 HB2 ASN A 66 12.680 28.287 8.590 1.00 3.41 H new ATOM 0 HB3 ASN A 66 13.186 29.119 10.047 1.00 3.41 H new ATOM 0 HD21 ASN A 66 13.789 30.777 6.334 1.00 52.01 H new ATOM 0 HD22 ASN A 66 13.169 29.136 6.541 1.00 52.01 H new ATOM 1043 N ASP A 67 14.576 26.623 11.273 1.00 73.43 N ATOM 1044 CA ASP A 67 14.857 26.349 12.677 1.00 20.42 C ATOM 1045 C ASP A 67 16.336 26.039 12.885 1.00 43.22 C ATOM 1046 O ASP A 67 16.862 26.185 13.988 1.00 71.21 O ATOM 1047 CB ASP A 67 14.004 25.179 13.171 1.00 4.15 C ATOM 1048 CG ASP A 67 13.752 25.237 14.665 1.00 1.22 C ATOM 1049 OD1 ASP A 67 14.729 25.397 15.427 1.00 42.34 O ATOM 1050 OD2 ASP A 67 12.577 25.124 15.073 1.00 64.51 O ATOM 0 H ASP A 67 13.975 25.934 10.821 1.00 73.43 H new ATOM 0 HA ASP A 67 14.606 27.240 13.253 1.00 20.42 H new ATOM 0 HB2 ASP A 67 13.050 25.181 12.644 1.00 4.15 H new ATOM 0 HB3 ASP A 67 14.502 24.241 12.926 1.00 4.15 H new ATOM 1055 N MET A 68 17.002 25.611 11.817 1.00 74.20 N ATOM 1056 CA MET A 68 18.421 25.281 11.883 1.00 74.13 C ATOM 1057 C MET A 68 19.266 26.542 12.031 1.00 14.15 C ATOM 1058 O MET A 68 20.453 26.472 12.344 1.00 64.32 O ATOM 1059 CB MET A 68 18.846 24.513 10.630 1.00 60.21 C ATOM 1060 CG MET A 68 18.150 23.170 10.475 1.00 40.45 C ATOM 1061 SD MET A 68 18.073 22.622 8.758 1.00 2.35 S ATOM 1062 CE MET A 68 19.690 23.121 8.171 1.00 23.52 C ATOM 0 H MET A 68 16.582 25.485 10.896 1.00 74.20 H new ATOM 0 HA MET A 68 18.582 24.652 12.759 1.00 74.13 H new ATOM 0 HB2 MET A 68 18.639 25.124 9.752 1.00 60.21 H new ATOM 0 HB3 MET A 68 19.924 24.353 10.660 1.00 60.21 H new ATOM 0 HG2 MET A 68 18.676 22.422 11.068 1.00 40.45 H new ATOM 0 HG3 MET A 68 17.139 23.241 10.876 1.00 40.45 H new ATOM 0 HE1 MET A 68 20.085 22.358 7.501 1.00 23.52 H new ATOM 0 HE2 MET A 68 19.607 24.066 7.635 1.00 23.52 H new ATOM 0 HE3 MET A 68 20.363 23.243 9.019 1.00 23.52 H new ATOM 1072 N GLY A 69 18.644 27.696 11.805 1.00 23.23 N ATOM 1073 CA GLY A 69 19.355 28.956 11.919 1.00 62.12 C ATOM 1074 C GLY A 69 19.880 29.448 10.584 1.00 31.24 C ATOM 1075 O GLY A 69 20.280 30.605 10.455 1.00 55.03 O ATOM 0 H GLY A 69 17.661 27.780 11.545 1.00 23.23 H new ATOM 0 HA2 GLY A 69 18.690 29.708 12.344 1.00 62.12 H new ATOM 0 HA3 GLY A 69 20.188 28.838 12.613 1.00 62.12 H new ATOM 1079 N PHE A 70 19.881 28.567 9.590 1.00 73.34 N ATOM 1080 CA PHE A 70 20.363 28.917 8.259 1.00 60.13 C ATOM 1081 C PHE A 70 19.205 29.026 7.272 1.00 74.45 C ATOM 1082 O PHE A 70 18.073 28.659 7.585 1.00 14.01 O ATOM 1083 CB PHE A 70 21.370 27.875 7.768 1.00 43.04 C ATOM 1084 CG PHE A 70 22.475 27.601 8.748 1.00 60.24 C ATOM 1085 CD1 PHE A 70 23.619 28.383 8.759 1.00 15.33 C ATOM 1086 CD2 PHE A 70 22.370 26.561 9.657 1.00 11.23 C ATOM 1087 CE1 PHE A 70 24.637 28.133 9.659 1.00 32.55 C ATOM 1088 CE2 PHE A 70 23.385 26.306 10.560 1.00 31.13 C ATOM 1089 CZ PHE A 70 24.519 27.093 10.562 1.00 44.42 C ATOM 0 H PHE A 70 19.553 27.605 9.681 1.00 73.34 H new ATOM 0 HA PHE A 70 20.856 29.887 8.322 1.00 60.13 H new ATOM 0 HB2 PHE A 70 20.844 26.944 7.556 1.00 43.04 H new ATOM 0 HB3 PHE A 70 21.805 28.216 6.828 1.00 43.04 H new ATOM 0 HD1 PHE A 70 23.716 29.197 8.056 1.00 15.33 H new ATOM 0 HD2 PHE A 70 21.485 25.942 9.660 1.00 11.23 H new ATOM 0 HE1 PHE A 70 25.524 28.749 9.657 1.00 32.55 H new ATOM 0 HE2 PHE A 70 23.291 25.492 11.263 1.00 31.13 H new ATOM 0 HZ PHE A 70 25.313 26.897 11.268 1.00 44.42 H new ATOM 1099 N GLU A 71 19.497 29.533 6.078 1.00 25.40 N ATOM 1100 CA GLU A 71 18.480 29.691 5.046 1.00 60.05 C ATOM 1101 C GLU A 71 18.721 28.722 3.891 1.00 10.41 C ATOM 1102 O GLU A 71 19.809 28.681 3.319 1.00 45.14 O ATOM 1103 CB GLU A 71 18.470 31.130 4.525 1.00 73.31 C ATOM 1104 CG GLU A 71 18.543 32.176 5.625 1.00 64.44 C ATOM 1105 CD GLU A 71 18.459 33.592 5.090 1.00 71.25 C ATOM 1106 OE1 GLU A 71 17.329 34.078 4.875 1.00 74.11 O ATOM 1107 OE2 GLU A 71 19.522 34.214 4.885 1.00 21.21 O ATOM 0 H GLU A 71 20.429 29.841 5.802 1.00 25.40 H new ATOM 0 HA GLU A 71 17.510 29.466 5.490 1.00 60.05 H new ATOM 0 HB2 GLU A 71 19.313 31.268 3.847 1.00 73.31 H new ATOM 0 HB3 GLU A 71 17.563 31.290 3.942 1.00 73.31 H new ATOM 0 HG2 GLU A 71 17.731 32.010 6.333 1.00 64.44 H new ATOM 0 HG3 GLU A 71 19.476 32.054 6.176 1.00 64.44 H new ATOM 1114 N ALA A 72 17.697 27.944 3.556 1.00 50.52 N ATOM 1115 CA ALA A 72 17.796 26.977 2.470 1.00 40.43 C ATOM 1116 C ALA A 72 16.778 27.276 1.374 1.00 2.12 C ATOM 1117 O ALA A 72 15.642 27.654 1.656 1.00 13.43 O ATOM 1118 CB ALA A 72 17.603 25.565 3.001 1.00 32.04 C ATOM 0 H ALA A 72 16.789 27.965 4.021 1.00 50.52 H new ATOM 0 HA ALA A 72 18.793 27.057 2.036 1.00 40.43 H new ATOM 0 HB1 ALA A 72 17.679 24.853 2.179 1.00 32.04 H new ATOM 0 HB2 ALA A 72 18.372 25.347 3.742 1.00 32.04 H new ATOM 0 HB3 ALA A 72 16.619 25.481 3.463 1.00 32.04 H new ATOM 1124 N ALA A 73 17.194 27.104 0.124 1.00 41.23 N ATOM 1125 CA ALA A 73 16.318 27.354 -1.014 1.00 12.20 C ATOM 1126 C ALA A 73 16.218 26.125 -1.911 1.00 5.10 C ATOM 1127 O ALA A 73 17.208 25.427 -2.134 1.00 72.42 O ATOM 1128 CB ALA A 73 16.815 28.552 -1.810 1.00 12.02 C ATOM 0 H ALA A 73 18.132 26.792 -0.127 1.00 41.23 H new ATOM 0 HA ALA A 73 15.321 27.574 -0.632 1.00 12.20 H new ATOM 0 HB1 ALA A 73 16.151 28.727 -2.657 1.00 12.02 H new ATOM 0 HB2 ALA A 73 16.827 29.434 -1.170 1.00 12.02 H new ATOM 0 HB3 ALA A 73 17.823 28.354 -2.174 1.00 12.02 H new