USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 7 THR OG1 : rot -79:sc= 1.35 USER MOD Set 1.2: A 9 THR OG1 : rot -18:sc= 0.00655 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0399) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.119 USER MOD Single : A 20 SER OG : rot -40:sc= 0.614 USER MOD Single : A 22 THR OG1 : rot -172:sc= -0.531 USER MOD Single : A 25 ASN : amide:sc= -2.26 K(o=-2.3,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 0.178 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.143) USER MOD Single : A 31 GLN : amide:sc= -0.968 K(o=-0.97,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc=-0.00864 (180deg=-0.329) USER MOD Single : A 40 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.093) USER MOD Single : A 41 GLN : amide:sc= -1.7 K(o=-1.7,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.369 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.84 F(o=-4.8!,f=-1.8) USER MOD Single : A 62 GLN : amide:sc= -0.0406 K(o=-0.041,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -1.2 (180deg=-1.77) USER MOD Single : A 66 THR OG1 : rot -26:sc= 0.664 USER MOD Single : A 68 HIS : no HE2:sc= -0.772 K(o=-0.77,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.811 27.066 2.631 1.00 0.00 N ATOM 21 CA GLN A 2 28.908 28.316 3.380 1.00 0.00 C ATOM 22 C GLN A 2 28.057 28.255 4.648 1.00 0.00 C ATOM 23 O GLN A 2 27.035 27.568 4.694 1.00 0.00 O ATOM 24 CB GLN A 2 28.438 29.481 2.503 1.00 0.00 C ATOM 25 CG GLN A 2 27.013 29.212 2.018 1.00 0.00 C ATOM 26 CD GLN A 2 26.565 30.319 1.070 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.582 30.139 -0.148 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.164 31.461 1.558 1.00 0.00 N ATOM 0 HA GLN A 2 29.949 28.468 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.471 30.412 3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.107 29.601 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.969 28.248 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.335 29.155 2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.151 31.608 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.864 32.207 0.930 1.00 0.00 H new ATOM 37 N ILE A 3 28.491 28.987 5.671 1.00 0.00 N ATOM 38 CA ILE A 3 27.771 29.027 6.941 1.00 0.00 C ATOM 39 C ILE A 3 27.773 30.438 7.528 1.00 0.00 C ATOM 40 O ILE A 3 28.731 31.191 7.366 1.00 0.00 O ATOM 41 CB ILE A 3 28.405 28.059 7.937 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.875 28.436 8.176 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.336 26.632 7.385 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.433 27.614 9.336 1.00 0.00 C ATOM 0 H ILE A 3 29.335 29.559 5.646 1.00 0.00 H new ATOM 0 HA ILE A 3 26.739 28.730 6.752 1.00 0.00 H new ATOM 0 HB ILE A 3 27.859 28.116 8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.459 28.254 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.956 29.500 8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.789 25.944 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.294 26.354 7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.875 26.581 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.476 27.883 9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.856 27.819 10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.366 26.553 9.095 1.00 0.00 H new ATOM 56 N PHE A 4 26.680 30.789 8.196 1.00 0.00 N ATOM 57 CA PHE A 4 26.542 32.118 8.799 1.00 0.00 C ATOM 58 C PHE A 4 26.924 32.079 10.272 1.00 0.00 C ATOM 59 O PHE A 4 26.411 31.247 11.020 1.00 0.00 O ATOM 60 CB PHE A 4 25.094 32.593 8.665 1.00 0.00 C ATOM 61 CG PHE A 4 24.794 32.927 7.223 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.379 31.920 6.345 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.925 34.245 6.765 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.093 32.229 5.009 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.640 34.553 5.429 1.00 0.00 C ATOM 66 CZ PHE A 4 24.224 33.545 4.552 1.00 0.00 C ATOM 0 H PHE A 4 25.876 30.177 8.336 1.00 0.00 H new ATOM 0 HA PHE A 4 27.208 32.807 8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.414 31.817 9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.930 33.469 9.292 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.279 30.904 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.246 35.023 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.771 31.452 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.741 35.568 5.075 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.004 33.783 3.522 1.00 0.00 H new ATOM 76 N VAL A 5 27.817 32.986 10.696 1.00 0.00 N ATOM 77 CA VAL A 5 28.245 33.043 12.095 1.00 0.00 C ATOM 78 C VAL A 5 27.790 34.346 12.735 1.00 0.00 C ATOM 79 O VAL A 5 28.226 35.435 12.362 1.00 0.00 O ATOM 80 CB VAL A 5 29.768 32.913 12.188 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.235 33.248 13.613 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.149 31.469 11.874 1.00 0.00 C ATOM 0 H VAL A 5 28.252 33.684 10.092 1.00 0.00 H new ATOM 0 HA VAL A 5 27.788 32.212 12.633 1.00 0.00 H new ATOM 0 HB VAL A 5 30.238 33.599 11.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.319 33.154 13.672 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.946 34.269 13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.772 32.559 14.319 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.231 31.357 11.935 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.674 30.803 12.594 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.814 31.215 10.868 1.00 0.00 H new ATOM 92 N LYS A 6 26.897 34.206 13.690 1.00 0.00 N ATOM 93 CA LYS A 6 26.346 35.354 14.399 1.00 0.00 C ATOM 94 C LYS A 6 27.174 35.667 15.646 1.00 0.00 C ATOM 95 O LYS A 6 27.130 34.927 16.632 1.00 0.00 O ATOM 96 CB LYS A 6 24.908 35.031 14.785 1.00 0.00 C ATOM 97 CG LYS A 6 24.220 36.263 15.364 1.00 0.00 C ATOM 98 CD LYS A 6 22.753 35.914 15.634 1.00 0.00 C ATOM 99 CE LYS A 6 22.054 37.073 16.342 1.00 0.00 C ATOM 100 NZ LYS A 6 21.858 38.194 15.381 1.00 0.00 N ATOM 0 H LYS A 6 26.531 33.305 13.999 1.00 0.00 H new ATOM 0 HA LYS A 6 26.373 36.233 13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.361 34.679 13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.894 34.223 15.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.712 36.574 16.286 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.289 37.099 14.668 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.246 35.694 14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.693 35.015 16.247 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.092 36.746 16.737 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.650 37.407 17.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.279 38.935 15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.783 38.589 15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.375 37.841 14.530 1.00 0.00 H new ATOM 114 N THR A 7 27.933 36.765 15.589 1.00 0.00 N ATOM 115 CA THR A 7 28.772 37.169 16.717 1.00 0.00 C ATOM 116 C THR A 7 27.912 37.751 17.835 1.00 0.00 C ATOM 117 O THR A 7 26.735 38.046 17.631 1.00 0.00 O ATOM 118 CB THR A 7 29.811 38.200 16.266 1.00 0.00 C ATOM 119 OG1 THR A 7 29.154 39.404 15.892 1.00 0.00 O ATOM 120 CG2 THR A 7 30.604 37.652 15.073 1.00 0.00 C ATOM 0 H THR A 7 27.983 37.385 14.780 1.00 0.00 H new ATOM 0 HA THR A 7 29.291 36.288 17.094 1.00 0.00 H new ATOM 0 HB THR A 7 30.498 38.402 17.088 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.785 39.308 14.989 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.341 38.390 14.757 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.112 36.733 15.365 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.923 37.443 14.248 1.00 0.00 H new ATOM 128 N LEU A 8 28.493 37.929 19.020 1.00 0.00 N ATOM 129 CA LEU A 8 27.740 38.478 20.142 1.00 0.00 C ATOM 130 C LEU A 8 27.444 39.960 19.935 1.00 0.00 C ATOM 131 O LEU A 8 26.418 40.463 20.393 1.00 0.00 O ATOM 132 CB LEU A 8 28.536 38.299 21.442 1.00 0.00 C ATOM 133 CG LEU A 8 27.617 38.533 22.661 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.864 37.244 23.018 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.455 38.971 23.868 1.00 0.00 C ATOM 0 H LEU A 8 29.467 37.705 19.225 1.00 0.00 H new ATOM 0 HA LEU A 8 26.794 37.940 20.207 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.960 37.296 21.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.371 38.999 21.466 1.00 0.00 H new ATOM 0 HG LEU A 8 26.898 39.312 22.407 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.221 37.425 23.879 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.255 36.931 22.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.581 36.459 23.259 1.00 0.00 H new ATOM 0 HD21 LEU A 8 27.801 39.135 24.725 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.181 38.194 24.108 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.980 39.896 23.630 1.00 0.00 H new ATOM 147 N THR A 9 28.346 40.658 19.254 1.00 0.00 N ATOM 148 CA THR A 9 28.157 42.084 19.012 1.00 0.00 C ATOM 149 C THR A 9 27.016 42.312 18.027 1.00 0.00 C ATOM 150 O THR A 9 26.687 43.452 17.698 1.00 0.00 O ATOM 151 CB THR A 9 29.443 42.705 18.461 1.00 0.00 C ATOM 152 OG1 THR A 9 29.770 42.094 17.221 1.00 0.00 O ATOM 153 CG2 THR A 9 30.585 42.490 19.455 1.00 0.00 C ATOM 0 H THR A 9 29.204 40.267 18.864 1.00 0.00 H new ATOM 0 HA THR A 9 27.907 42.561 19.960 1.00 0.00 H new ATOM 0 HB THR A 9 29.293 43.774 18.311 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.291 41.243 17.139 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.499 42.933 19.060 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.334 42.962 20.405 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.737 41.422 19.609 1.00 0.00 H new ATOM 161 N GLY A 10 26.410 41.222 17.562 1.00 0.00 N ATOM 162 CA GLY A 10 25.303 41.321 16.621 1.00 0.00 C ATOM 163 C GLY A 10 25.816 41.513 15.202 1.00 0.00 C ATOM 164 O GLY A 10 25.053 41.855 14.297 1.00 0.00 O ATOM 0 H GLY A 10 26.666 40.269 17.820 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.694 40.419 16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.660 42.157 16.896 1.00 0.00 H new ATOM 168 N LYS A 11 27.106 41.260 15.001 1.00 0.00 N ATOM 169 CA LYS A 11 27.702 41.373 13.675 1.00 0.00 C ATOM 170 C LYS A 11 27.652 40.023 12.974 1.00 0.00 C ATOM 171 O LYS A 11 28.203 39.040 13.469 1.00 0.00 O ATOM 172 CB LYS A 11 29.155 41.840 13.781 1.00 0.00 C ATOM 173 CG LYS A 11 29.677 42.245 12.385 1.00 0.00 C ATOM 174 CD LYS A 11 29.362 43.728 12.105 1.00 0.00 C ATOM 175 CE LYS A 11 30.468 44.614 12.689 1.00 0.00 C ATOM 176 NZ LYS A 11 30.182 46.038 12.370 1.00 0.00 N ATOM 0 H LYS A 11 27.755 40.977 15.735 1.00 0.00 H new ATOM 0 HA LYS A 11 27.137 42.106 13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.226 42.685 14.465 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.774 41.043 14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.753 42.078 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.217 41.618 11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.279 43.895 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.401 43.994 12.544 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.527 44.477 13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.435 44.325 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.932 46.640 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.147 46.162 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.267 46.309 12.783 1.00 0.00 H new ATOM 190 N THR A 12 26.989 39.971 11.828 1.00 0.00 N ATOM 191 CA THR A 12 26.875 38.725 11.076 1.00 0.00 C ATOM 192 C THR A 12 27.983 38.618 10.032 1.00 0.00 C ATOM 193 O THR A 12 28.118 39.487 9.170 1.00 0.00 O ATOM 194 CB THR A 12 25.520 38.677 10.369 1.00 0.00 C ATOM 195 OG1 THR A 12 24.484 38.670 11.340 1.00 0.00 O ATOM 196 CG2 THR A 12 25.430 37.409 9.509 1.00 0.00 C ATOM 0 H THR A 12 26.524 40.771 11.399 1.00 0.00 H new ATOM 0 HA THR A 12 26.966 37.893 11.774 1.00 0.00 H new ATOM 0 HB THR A 12 25.413 39.552 9.728 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.614 38.641 10.890 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.463 37.378 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.226 37.417 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.537 36.530 10.145 1.00 0.00 H new ATOM 204 N ILE A 13 28.769 37.542 10.103 1.00 0.00 N ATOM 205 CA ILE A 13 29.858 37.324 9.146 1.00 0.00 C ATOM 206 C ILE A 13 29.771 35.914 8.574 1.00 0.00 C ATOM 207 O ILE A 13 29.647 34.936 9.312 1.00 0.00 O ATOM 208 CB ILE A 13 31.209 37.515 9.835 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.322 37.530 8.781 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.448 36.363 10.815 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.684 37.647 9.473 1.00 0.00 C ATOM 0 H ILE A 13 28.674 36.811 10.808 1.00 0.00 H new ATOM 0 HA ILE A 13 29.765 38.048 8.337 1.00 0.00 H new ATOM 0 HB ILE A 13 31.211 38.460 10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.283 36.619 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.177 38.366 8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.411 36.498 11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.656 36.352 11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.447 35.418 10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.474 37.657 8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.720 38.571 10.051 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.828 36.796 10.139 1.00 0.00 H new ATOM 223 N THR A 14 29.801 35.823 7.255 1.00 0.00 N ATOM 224 CA THR A 14 29.690 34.533 6.581 1.00 0.00 C ATOM 225 C THR A 14 31.038 33.823 6.511 1.00 0.00 C ATOM 226 O THR A 14 32.089 34.453 6.388 1.00 0.00 O ATOM 227 CB THR A 14 29.133 34.734 5.169 1.00 0.00 C ATOM 228 OG1 THR A 14 27.965 35.542 5.241 1.00 0.00 O ATOM 229 CG2 THR A 14 28.773 33.376 4.553 1.00 0.00 C ATOM 0 H THR A 14 29.901 36.622 6.628 1.00 0.00 H new ATOM 0 HA THR A 14 29.010 33.906 7.158 1.00 0.00 H new ATOM 0 HB THR A 14 29.885 35.221 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.171 34.968 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.377 33.526 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.665 32.752 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.021 32.885 5.170 1.00 0.00 H new ATOM 237 N LEU A 15 30.981 32.497 6.614 1.00 0.00 N ATOM 238 CA LEU A 15 32.175 31.651 6.590 1.00 0.00 C ATOM 239 C LEU A 15 32.074 30.610 5.471 1.00 0.00 C ATOM 240 O LEU A 15 31.055 29.938 5.324 1.00 0.00 O ATOM 241 CB LEU A 15 32.301 30.934 7.963 1.00 0.00 C ATOM 242 CG LEU A 15 33.659 31.212 8.622 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.691 32.643 9.159 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.864 30.234 9.784 1.00 0.00 C ATOM 0 H LEU A 15 30.109 31.978 6.716 1.00 0.00 H new ATOM 0 HA LEU A 15 33.054 32.269 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.500 31.267 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.175 29.860 7.826 1.00 0.00 H new ATOM 0 HG LEU A 15 34.451 31.085 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.657 32.835 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.539 33.343 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.899 32.772 9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.827 30.427 10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.068 30.367 10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.843 29.211 9.407 1.00 0.00 H new ATOM 256 N GLU A 16 33.154 30.465 4.713 1.00 0.00 N ATOM 257 CA GLU A 16 33.197 29.472 3.637 1.00 0.00 C ATOM 258 C GLU A 16 33.966 28.248 4.124 1.00 0.00 C ATOM 259 O GLU A 16 35.104 28.368 4.577 1.00 0.00 O ATOM 260 CB GLU A 16 33.882 30.054 2.395 1.00 0.00 C ATOM 261 CG GLU A 16 32.928 31.017 1.683 1.00 0.00 C ATOM 262 CD GLU A 16 33.609 31.612 0.455 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.696 32.146 0.606 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.036 31.522 -0.618 1.00 0.00 O ATOM 0 H GLU A 16 34.007 31.015 4.819 1.00 0.00 H new ATOM 0 HA GLU A 16 32.179 29.190 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.794 30.577 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.175 29.250 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.021 30.491 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.627 31.813 2.364 1.00 0.00 H new ATOM 271 N VAL A 17 33.346 27.073 4.033 1.00 0.00 N ATOM 272 CA VAL A 17 34.000 25.839 4.475 1.00 0.00 C ATOM 273 C VAL A 17 33.416 24.631 3.760 1.00 0.00 C ATOM 274 O VAL A 17 32.466 24.732 2.987 1.00 0.00 O ATOM 275 CB VAL A 17 33.856 25.679 6.001 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.379 25.532 6.388 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.639 24.458 6.525 1.00 0.00 C ATOM 0 H VAL A 17 32.404 26.948 3.663 1.00 0.00 H new ATOM 0 HA VAL A 17 35.059 25.903 4.225 1.00 0.00 H new ATOM 0 HB VAL A 17 34.271 26.578 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.296 25.420 7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.830 26.419 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.960 24.652 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.512 24.380 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.262 23.553 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.697 24.577 6.292 1.00 0.00 H new ATOM 287 N GLU A 18 33.998 23.492 4.061 1.00 0.00 N ATOM 288 CA GLU A 18 33.558 22.209 3.499 1.00 0.00 C ATOM 289 C GLU A 18 32.694 21.472 4.528 1.00 0.00 C ATOM 290 O GLU A 18 32.919 21.608 5.729 1.00 0.00 O ATOM 291 CB GLU A 18 34.772 21.349 3.132 1.00 0.00 C ATOM 292 CG GLU A 18 35.590 22.053 2.047 1.00 0.00 C ATOM 293 CD GLU A 18 36.899 21.306 1.812 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.224 20.452 2.621 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.557 21.598 0.827 1.00 0.00 O ATOM 0 H GLU A 18 34.789 23.416 4.700 1.00 0.00 H new ATOM 0 HA GLU A 18 32.974 22.395 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.389 21.178 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.444 20.372 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.017 22.099 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.797 23.081 2.346 1.00 0.00 H new ATOM 302 N PRO A 19 31.719 20.698 4.111 1.00 0.00 N ATOM 303 CA PRO A 19 30.845 19.957 5.070 1.00 0.00 C ATOM 304 C PRO A 19 31.605 18.845 5.796 1.00 0.00 C ATOM 305 O PRO A 19 31.199 18.406 6.872 1.00 0.00 O ATOM 306 CB PRO A 19 29.722 19.392 4.185 1.00 0.00 C ATOM 307 CG PRO A 19 30.324 19.287 2.818 1.00 0.00 C ATOM 308 CD PRO A 19 31.337 20.434 2.709 1.00 0.00 C ATOM 0 HA PRO A 19 30.468 20.599 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.387 18.419 4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.852 20.048 4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.812 18.322 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.558 19.370 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.199 20.151 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.896 21.314 2.241 1.00 0.00 H new ATOM 316 N SER A 20 32.710 18.398 5.204 1.00 0.00 N ATOM 317 CA SER A 20 33.520 17.340 5.805 1.00 0.00 C ATOM 318 C SER A 20 34.583 17.941 6.721 1.00 0.00 C ATOM 319 O SER A 20 35.359 17.216 7.344 1.00 0.00 O ATOM 320 CB SER A 20 34.199 16.519 4.709 1.00 0.00 C ATOM 321 OG SER A 20 34.914 15.443 5.302 1.00 0.00 O ATOM 0 H SER A 20 33.064 18.749 4.314 1.00 0.00 H new ATOM 0 HA SER A 20 32.867 16.694 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.454 16.135 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.878 17.149 4.135 1.00 0.00 H new ATOM 0 HG SER A 20 35.356 15.755 6.119 1.00 0.00 H new ATOM 327 N ASP A 21 34.592 19.268 6.819 1.00 0.00 N ATOM 328 CA ASP A 21 35.542 19.954 7.680 1.00 0.00 C ATOM 329 C ASP A 21 35.237 19.653 9.139 1.00 0.00 C ATOM 330 O ASP A 21 34.089 19.395 9.498 1.00 0.00 O ATOM 331 CB ASP A 21 35.473 21.463 7.437 1.00 0.00 C ATOM 332 CG ASP A 21 36.768 22.137 7.879 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.498 21.529 8.643 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.010 23.251 7.448 1.00 0.00 O ATOM 0 H ASP A 21 33.954 19.884 6.314 1.00 0.00 H new ATOM 0 HA ASP A 21 36.546 19.600 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.297 21.659 6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.631 21.887 7.984 1.00 0.00 H new ATOM 339 N THR A 22 36.260 19.711 9.979 1.00 0.00 N ATOM 340 CA THR A 22 36.085 19.465 11.406 1.00 0.00 C ATOM 341 C THR A 22 35.677 20.747 12.126 1.00 0.00 C ATOM 342 O THR A 22 35.712 21.840 11.550 1.00 0.00 O ATOM 343 CB THR A 22 37.383 18.925 12.011 1.00 0.00 C ATOM 344 OG1 THR A 22 38.416 19.886 11.850 1.00 0.00 O ATOM 345 CG2 THR A 22 37.775 17.628 11.301 1.00 0.00 C ATOM 0 H THR A 22 37.217 19.925 9.700 1.00 0.00 H new ATOM 0 HA THR A 22 35.295 18.725 11.531 1.00 0.00 H new ATOM 0 HB THR A 22 37.235 18.727 13.073 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.272 19.494 12.122 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.699 17.243 11.731 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.982 16.891 11.426 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.924 17.825 10.239 1.00 0.00 H new ATOM 353 N ILE A 23 35.319 20.612 13.394 1.00 0.00 N ATOM 354 CA ILE A 23 34.940 21.779 14.179 1.00 0.00 C ATOM 355 C ILE A 23 36.183 22.601 14.501 1.00 0.00 C ATOM 356 O ILE A 23 36.232 23.794 14.213 1.00 0.00 O ATOM 357 CB ILE A 23 34.232 21.355 15.469 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.198 20.270 15.151 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.521 22.562 16.089 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.315 20.710 13.979 1.00 0.00 C ATOM 0 H ILE A 23 35.283 19.724 13.895 1.00 0.00 H new ATOM 0 HA ILE A 23 34.247 22.388 13.598 1.00 0.00 H new ATOM 0 HB ILE A 23 34.969 20.967 16.172 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.704 19.336 14.905 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.581 20.077 16.028 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.018 22.256 17.007 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.252 23.338 16.317 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.786 22.952 15.385 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.584 19.931 13.762 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.796 21.632 14.241 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.936 20.880 13.099 1.00 0.00 H new ATOM 372 N GLU A 24 37.197 21.952 15.074 1.00 0.00 N ATOM 373 CA GLU A 24 38.443 22.643 15.404 1.00 0.00 C ATOM 374 C GLU A 24 38.872 23.530 14.240 1.00 0.00 C ATOM 375 O GLU A 24 39.563 24.531 14.422 1.00 0.00 O ATOM 376 CB GLU A 24 39.547 21.625 15.702 1.00 0.00 C ATOM 377 CG GLU A 24 39.524 20.519 14.647 1.00 0.00 C ATOM 378 CD GLU A 24 40.807 19.699 14.722 1.00 0.00 C ATOM 379 OE1 GLU A 24 41.353 19.586 15.807 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.226 19.196 13.693 1.00 0.00 O ATOM 0 H GLU A 24 37.181 20.961 15.317 1.00 0.00 H new ATOM 0 HA GLU A 24 38.276 23.261 16.287 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.519 22.118 15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.403 21.198 16.694 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.660 19.873 14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.419 20.955 13.654 1.00 0.00 H new ATOM 387 N ASN A 25 38.431 23.160 13.046 1.00 0.00 N ATOM 388 CA ASN A 25 38.753 23.938 11.857 1.00 0.00 C ATOM 389 C ASN A 25 37.934 25.220 11.852 1.00 0.00 C ATOM 390 O ASN A 25 38.486 26.318 11.929 1.00 0.00 O ATOM 391 CB ASN A 25 38.455 23.134 10.590 1.00 0.00 C ATOM 392 CG ASN A 25 39.072 23.830 9.381 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.982 25.051 9.253 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.700 23.123 8.482 1.00 0.00 N ATOM 0 H ASN A 25 37.856 22.335 12.875 1.00 0.00 H new ATOM 0 HA ASN A 25 39.816 24.180 11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.857 22.125 10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.378 23.036 10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.117 23.582 7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.774 22.111 8.589 1.00 0.00 H new ATOM 401 N VAL A 26 36.612 25.078 11.758 1.00 0.00 N ATOM 402 CA VAL A 26 35.731 26.242 11.746 1.00 0.00 C ATOM 403 C VAL A 26 36.145 27.231 12.826 1.00 0.00 C ATOM 404 O VAL A 26 35.939 28.445 12.704 1.00 0.00 O ATOM 405 CB VAL A 26 34.292 25.795 11.983 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.370 27.013 12.003 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.883 24.861 10.859 1.00 0.00 C ATOM 0 H VAL A 26 36.134 24.180 11.690 1.00 0.00 H new ATOM 0 HA VAL A 26 35.806 26.732 10.775 1.00 0.00 H new ATOM 0 HB VAL A 26 34.216 25.280 12.941 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.343 26.689 12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.675 27.687 12.804 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.433 27.533 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.855 24.533 11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.956 25.385 9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.543 23.994 10.848 1.00 0.00 H new ATOM 417 N LYS A 27 36.752 26.697 13.871 1.00 0.00 N ATOM 418 CA LYS A 27 37.219 27.525 14.973 1.00 0.00 C ATOM 419 C LYS A 27 38.436 28.316 14.530 1.00 0.00 C ATOM 420 O LYS A 27 38.531 29.521 14.760 1.00 0.00 O ATOM 421 CB LYS A 27 37.585 26.649 16.175 1.00 0.00 C ATOM 422 CG LYS A 27 36.331 25.934 16.699 1.00 0.00 C ATOM 423 CD LYS A 27 36.543 25.503 18.152 1.00 0.00 C ATOM 424 CE LYS A 27 35.478 24.474 18.539 1.00 0.00 C ATOM 425 NZ LYS A 27 35.531 24.235 20.008 1.00 0.00 N ATOM 0 H LYS A 27 36.933 25.699 13.981 1.00 0.00 H new ATOM 0 HA LYS A 27 36.423 28.210 15.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.339 25.916 15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.022 27.262 16.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.469 26.597 16.630 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.114 25.063 16.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.538 25.076 18.274 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.484 26.369 18.812 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.489 24.833 18.253 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.646 23.541 18.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.447 23.216 20.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.436 24.583 20.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.747 24.739 20.470 1.00 0.00 H new ATOM 439 N ALA A 28 39.364 27.619 13.894 1.00 0.00 N ATOM 440 CA ALA A 28 40.586 28.241 13.413 1.00 0.00 C ATOM 441 C ALA A 28 40.265 29.466 12.558 1.00 0.00 C ATOM 442 O ALA A 28 40.992 30.459 12.585 1.00 0.00 O ATOM 443 CB ALA A 28 41.367 27.221 12.589 1.00 0.00 C ATOM 0 H ALA A 28 39.293 26.620 13.699 1.00 0.00 H new ATOM 0 HA ALA A 28 41.183 28.567 14.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.287 27.677 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.612 26.361 13.212 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.761 26.896 11.743 1.00 0.00 H new ATOM 449 N LYS A 29 39.161 29.391 11.821 1.00 0.00 N ATOM 450 CA LYS A 29 38.746 30.513 10.987 1.00 0.00 C ATOM 451 C LYS A 29 38.330 31.689 11.871 1.00 0.00 C ATOM 452 O LYS A 29 38.943 32.756 11.828 1.00 0.00 O ATOM 453 CB LYS A 29 37.591 30.101 10.070 1.00 0.00 C ATOM 454 CG LYS A 29 38.150 29.340 8.857 1.00 0.00 C ATOM 455 CD LYS A 29 37.043 28.513 8.218 1.00 0.00 C ATOM 456 CE LYS A 29 37.623 27.677 7.075 1.00 0.00 C ATOM 457 NZ LYS A 29 37.987 28.572 5.940 1.00 0.00 N ATOM 0 H LYS A 29 38.546 28.578 11.784 1.00 0.00 H new ATOM 0 HA LYS A 29 39.586 30.818 10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.886 29.473 10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.042 30.983 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.558 30.043 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.969 28.691 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.585 27.862 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.257 29.168 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.502 27.132 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.895 26.934 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.188 27.998 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.197 29.218 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.831 29.125 6.191 1.00 0.00 H new ATOM 471 N ILE A 30 37.276 31.490 12.658 1.00 0.00 N ATOM 472 CA ILE A 30 36.778 32.533 13.536 1.00 0.00 C ATOM 473 C ILE A 30 37.909 33.124 14.382 1.00 0.00 C ATOM 474 O ILE A 30 37.955 34.332 14.602 1.00 0.00 O ATOM 475 CB ILE A 30 35.685 31.937 14.432 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.413 31.716 13.605 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.374 32.889 15.586 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.463 30.793 14.369 1.00 0.00 C ATOM 0 H ILE A 30 36.754 30.615 12.702 1.00 0.00 H new ATOM 0 HA ILE A 30 36.363 33.344 12.938 1.00 0.00 H new ATOM 0 HB ILE A 30 36.036 30.987 14.835 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.927 32.671 13.404 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.666 31.277 12.640 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.597 32.456 16.216 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.275 33.048 16.179 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.028 33.843 15.188 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.558 30.635 13.782 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.951 29.835 14.547 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.201 31.250 15.323 1.00 0.00 H new ATOM 490 N GLN A 31 38.811 32.274 14.856 1.00 0.00 N ATOM 491 CA GLN A 31 39.924 32.744 15.677 1.00 0.00 C ATOM 492 C GLN A 31 40.753 33.773 14.915 1.00 0.00 C ATOM 493 O GLN A 31 40.891 34.920 15.339 1.00 0.00 O ATOM 494 CB GLN A 31 40.820 31.564 16.073 1.00 0.00 C ATOM 495 CG GLN A 31 42.045 32.074 16.845 1.00 0.00 C ATOM 496 CD GLN A 31 42.835 30.901 17.413 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.724 29.778 16.921 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.633 31.097 18.427 1.00 0.00 N ATOM 0 H GLN A 31 38.797 31.268 14.690 1.00 0.00 H new ATOM 0 HA GLN A 31 39.516 33.209 16.574 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.259 30.860 16.688 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.140 31.024 15.182 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.680 32.664 16.185 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.726 32.733 17.653 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.723 32.029 18.833 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.167 30.319 18.814 1.00 0.00 H new ATOM 507 N ASP A 32 41.318 33.333 13.805 1.00 0.00 N ATOM 508 CA ASP A 32 42.161 34.200 12.992 1.00 0.00 C ATOM 509 C ASP A 32 41.460 35.517 12.646 1.00 0.00 C ATOM 510 O ASP A 32 42.101 36.566 12.595 1.00 0.00 O ATOM 511 CB ASP A 32 42.570 33.475 11.707 1.00 0.00 C ATOM 512 CG ASP A 32 43.560 34.327 10.920 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.659 34.527 11.410 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.204 34.768 9.839 1.00 0.00 O ATOM 0 H ASP A 32 41.211 32.385 13.444 1.00 0.00 H new ATOM 0 HA ASP A 32 43.048 34.441 13.577 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.019 32.512 11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.689 33.271 11.099 1.00 0.00 H new ATOM 519 N LYS A 33 40.156 35.461 12.377 1.00 0.00 N ATOM 520 CA LYS A 33 39.412 36.667 12.000 1.00 0.00 C ATOM 521 C LYS A 33 39.028 37.549 13.197 1.00 0.00 C ATOM 522 O LYS A 33 39.026 38.774 13.080 1.00 0.00 O ATOM 523 CB LYS A 33 38.137 36.283 11.255 1.00 0.00 C ATOM 524 CG LYS A 33 38.475 35.428 10.032 1.00 0.00 C ATOM 525 CD LYS A 33 37.181 34.854 9.446 1.00 0.00 C ATOM 526 CE LYS A 33 37.504 33.982 8.231 1.00 0.00 C ATOM 527 NZ LYS A 33 38.043 34.835 7.134 1.00 0.00 N ATOM 0 H LYS A 33 39.598 34.608 12.412 1.00 0.00 H new ATOM 0 HA LYS A 33 40.082 37.246 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.471 35.733 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.605 37.182 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.992 36.030 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.151 34.620 10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.660 34.264 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.512 35.664 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.232 33.218 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.607 33.463 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.977 34.323 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.491 35.714 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.038 35.064 7.330 1.00 0.00 H new ATOM 541 N GLU A 34 38.653 36.939 14.327 1.00 0.00 N ATOM 542 CA GLU A 34 38.215 37.714 15.502 1.00 0.00 C ATOM 543 C GLU A 34 39.247 37.723 16.631 1.00 0.00 C ATOM 544 O GLU A 34 39.007 38.321 17.680 1.00 0.00 O ATOM 545 CB GLU A 34 36.902 37.129 16.038 1.00 0.00 C ATOM 546 CG GLU A 34 35.860 37.078 14.921 1.00 0.00 C ATOM 547 CD GLU A 34 35.554 38.486 14.427 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.494 39.382 15.253 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.385 38.649 13.230 1.00 0.00 O ATOM 0 H GLU A 34 38.642 35.927 14.456 1.00 0.00 H new ATOM 0 HA GLU A 34 38.083 38.744 15.170 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.074 36.128 16.432 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.533 37.737 16.864 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.228 36.467 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.948 36.606 15.285 1.00 0.00 H new ATOM 556 N GLY A 35 40.409 37.121 16.419 1.00 0.00 N ATOM 557 CA GLY A 35 41.449 37.128 17.444 1.00 0.00 C ATOM 558 C GLY A 35 40.975 36.532 18.775 1.00 0.00 C ATOM 559 O GLY A 35 41.575 36.792 19.818 1.00 0.00 O ATOM 0 H GLY A 35 40.655 36.628 15.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.310 36.565 17.085 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.784 38.152 17.608 1.00 0.00 H new ATOM 563 N ILE A 36 39.905 35.734 18.746 1.00 0.00 N ATOM 564 CA ILE A 36 39.381 35.117 19.963 1.00 0.00 C ATOM 565 C ILE A 36 39.928 33.689 20.128 1.00 0.00 C ATOM 566 O ILE A 36 39.922 32.920 19.167 1.00 0.00 O ATOM 567 CB ILE A 36 37.864 35.065 19.872 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.357 36.462 19.539 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.289 34.611 21.207 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.837 36.480 19.563 1.00 0.00 C ATOM 0 H ILE A 36 39.388 35.502 17.898 1.00 0.00 H new ATOM 0 HA ILE A 36 39.692 35.709 20.824 1.00 0.00 H new ATOM 0 HB ILE A 36 37.555 34.361 19.099 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.749 37.182 20.258 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.718 36.764 18.556 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.202 34.574 21.141 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.672 33.620 21.450 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.581 35.314 21.987 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.481 37.482 19.324 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.453 35.774 18.827 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.485 36.197 20.555 1.00 0.00 H new ATOM 582 N PRO A 37 40.385 33.301 21.305 1.00 0.00 N ATOM 583 CA PRO A 37 40.913 31.920 21.522 1.00 0.00 C ATOM 584 C PRO A 37 39.775 30.880 21.581 1.00 0.00 C ATOM 585 O PRO A 37 38.875 31.008 22.411 1.00 0.00 O ATOM 586 CB PRO A 37 41.635 32.021 22.876 1.00 0.00 C ATOM 587 CG PRO A 37 40.925 33.113 23.608 1.00 0.00 C ATOM 588 CD PRO A 37 40.458 34.109 22.541 1.00 0.00 C ATOM 0 HA PRO A 37 41.564 31.589 20.712 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.583 31.080 23.423 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.691 32.255 22.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.078 32.719 24.170 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.588 33.595 24.327 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.489 34.540 22.794 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.158 34.938 22.435 1.00 0.00 H new ATOM 596 N PRO A 38 39.789 29.867 20.736 1.00 0.00 N ATOM 597 CA PRO A 38 38.729 28.813 20.722 1.00 0.00 C ATOM 598 C PRO A 38 38.325 28.345 22.122 1.00 0.00 C ATOM 599 O PRO A 38 37.223 27.832 22.318 1.00 0.00 O ATOM 600 CB PRO A 38 39.370 27.675 19.928 1.00 0.00 C ATOM 601 CG PRO A 38 40.292 28.359 18.977 1.00 0.00 C ATOM 602 CD PRO A 38 40.801 29.614 19.694 1.00 0.00 C ATOM 0 HA PRO A 38 37.801 29.184 20.287 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.910 26.990 20.581 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.619 27.087 19.400 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.120 27.706 18.702 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.774 28.622 18.055 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.788 29.453 20.127 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.887 30.457 19.009 1.00 0.00 H new ATOM 610 N ASP A 39 39.221 28.513 23.087 1.00 0.00 N ATOM 611 CA ASP A 39 38.939 28.091 24.457 1.00 0.00 C ATOM 612 C ASP A 39 37.829 28.935 25.073 1.00 0.00 C ATOM 613 O ASP A 39 37.038 28.444 25.878 1.00 0.00 O ATOM 614 CB ASP A 39 40.201 28.208 25.314 1.00 0.00 C ATOM 615 CG ASP A 39 39.986 27.511 26.653 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.873 27.076 26.901 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.937 27.422 27.413 1.00 0.00 O ATOM 0 H ASP A 39 40.140 28.934 22.951 1.00 0.00 H new ATOM 0 HA ASP A 39 38.611 27.052 24.427 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.047 27.761 24.793 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.445 29.258 25.476 1.00 0.00 H new ATOM 622 N GLN A 40 37.791 30.209 24.710 1.00 0.00 N ATOM 623 CA GLN A 40 36.786 31.124 25.253 1.00 0.00 C ATOM 624 C GLN A 40 35.489 31.074 24.454 1.00 0.00 C ATOM 625 O GLN A 40 34.476 31.630 24.879 1.00 0.00 O ATOM 626 CB GLN A 40 37.320 32.556 25.242 1.00 0.00 C ATOM 627 CG GLN A 40 38.469 32.678 26.242 1.00 0.00 C ATOM 628 CD GLN A 40 37.925 32.699 27.666 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.007 31.697 28.377 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.371 33.786 28.130 1.00 0.00 N ATOM 0 H GLN A 40 38.438 30.635 24.046 1.00 0.00 H new ATOM 0 HA GLN A 40 36.576 30.808 26.275 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.664 32.820 24.242 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.524 33.255 25.499 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.158 31.842 26.120 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.035 33.589 26.047 1.00 0.00 H new ATOM 0 HE21 GLN A 40 37.303 34.616 27.540 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.006 33.806 29.082 1.00 0.00 H new ATOM 639 N GLN A 41 35.516 30.424 23.288 1.00 0.00 N ATOM 640 CA GLN A 41 34.329 30.334 22.437 1.00 0.00 C ATOM 641 C GLN A 41 33.622 28.990 22.583 1.00 0.00 C ATOM 642 O GLN A 41 34.259 27.943 22.701 1.00 0.00 O ATOM 643 CB GLN A 41 34.731 30.528 20.974 1.00 0.00 C ATOM 644 CG GLN A 41 35.415 31.883 20.812 1.00 0.00 C ATOM 645 CD GLN A 41 35.834 32.089 19.360 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.299 32.963 18.677 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.764 31.333 18.844 1.00 0.00 N ATOM 0 H GLN A 41 36.341 29.955 22.914 1.00 0.00 H new ATOM 0 HA GLN A 41 33.639 31.117 22.753 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.403 29.729 20.661 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.851 30.473 20.333 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.738 32.680 21.120 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.288 31.938 21.462 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.206 30.610 19.411 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.049 31.466 17.874 1.00 0.00 H new ATOM 656 N ARG A 42 32.292 29.039 22.542 1.00 0.00 N ATOM 657 CA ARG A 42 31.456 27.845 22.634 1.00 0.00 C ATOM 658 C ARG A 42 30.491 27.870 21.457 1.00 0.00 C ATOM 659 O ARG A 42 29.782 28.857 21.258 1.00 0.00 O ATOM 660 CB ARG A 42 30.668 27.849 23.949 1.00 0.00 C ATOM 661 CG ARG A 42 31.634 27.797 25.147 1.00 0.00 C ATOM 662 CD ARG A 42 32.030 26.347 25.451 1.00 0.00 C ATOM 663 NE ARG A 42 32.834 26.286 26.667 1.00 0.00 N ATOM 664 CZ ARG A 42 33.138 25.120 27.231 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.864 25.088 28.315 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.708 24.008 26.702 1.00 0.00 N ATOM 0 H ARG A 42 31.765 29.907 22.444 1.00 0.00 H new ATOM 0 HA ARG A 42 32.074 26.947 22.611 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.051 28.745 24.009 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.993 26.994 23.980 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.525 28.386 24.930 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.162 28.243 26.022 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.135 25.735 25.567 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.592 25.933 24.614 1.00 0.00 H new ATOM 0 HE ARG A 42 33.168 27.151 27.091 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.199 25.957 28.730 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.097 24.194 28.747 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.139 24.032 25.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.941 23.114 27.134 1.00 0.00 H new ATOM 680 N LEU A 43 30.470 26.805 20.661 1.00 0.00 N ATOM 681 CA LEU A 43 29.589 26.762 19.496 1.00 0.00 C ATOM 682 C LEU A 43 28.255 26.113 19.828 1.00 0.00 C ATOM 683 O LEU A 43 28.190 24.920 20.146 1.00 0.00 O ATOM 684 CB LEU A 43 30.250 25.977 18.370 1.00 0.00 C ATOM 685 CG LEU A 43 31.696 26.431 18.160 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.187 25.872 16.829 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.772 27.958 18.121 1.00 0.00 C ATOM 0 H LEU A 43 31.043 25.972 20.797 1.00 0.00 H new ATOM 0 HA LEU A 43 29.409 27.791 19.184 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.230 24.912 18.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.685 26.112 17.448 1.00 0.00 H new ATOM 0 HG LEU A 43 32.315 26.069 18.981 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.217 26.185 16.661 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.138 24.783 16.851 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.557 26.247 16.022 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.806 28.267 17.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.159 28.332 17.301 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.405 28.365 19.063 1.00 0.00 H new ATOM 699 N ILE A 44 27.194 26.914 19.745 1.00 0.00 N ATOM 700 CA ILE A 44 25.836 26.437 20.034 1.00 0.00 C ATOM 701 C ILE A 44 24.987 26.353 18.763 1.00 0.00 C ATOM 702 O ILE A 44 24.781 27.356 18.069 1.00 0.00 O ATOM 703 CB ILE A 44 25.149 27.387 21.023 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.058 27.638 22.235 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.827 26.777 21.493 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.525 26.312 22.843 1.00 0.00 C ATOM 0 H ILE A 44 27.245 27.898 19.480 1.00 0.00 H new ATOM 0 HA ILE A 44 25.923 25.439 20.463 1.00 0.00 H new ATOM 0 HB ILE A 44 24.954 28.335 20.522 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.922 28.230 21.932 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.521 28.219 22.985 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.343 27.455 22.195 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.175 26.617 20.635 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.021 25.824 21.984 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.168 26.511 23.700 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.659 25.734 23.166 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.081 25.745 22.096 1.00 0.00 H new ATOM 718 N PHE A 45 24.488 25.148 18.474 1.00 0.00 N ATOM 719 CA PHE A 45 23.643 24.916 17.304 1.00 0.00 C ATOM 720 C PHE A 45 22.489 23.994 17.685 1.00 0.00 C ATOM 721 O PHE A 45 22.682 22.794 17.881 1.00 0.00 O ATOM 722 CB PHE A 45 24.460 24.263 16.191 1.00 0.00 C ATOM 723 CG PHE A 45 23.616 24.125 14.948 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.620 25.132 13.977 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.837 22.979 14.766 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.844 24.992 12.819 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.058 22.837 13.610 1.00 0.00 C ATOM 728 CZ PHE A 45 22.063 23.844 12.636 1.00 0.00 C ATOM 0 H PHE A 45 24.657 24.316 19.039 1.00 0.00 H new ATOM 0 HA PHE A 45 23.253 25.871 16.952 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.344 24.864 15.976 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.812 23.283 16.513 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.221 26.018 14.120 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.835 22.203 15.517 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.848 25.768 12.068 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.454 21.952 13.470 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.464 23.735 11.744 1.00 0.00 H new ATOM 738 N ALA A 46 21.293 24.563 17.796 1.00 0.00 N ATOM 739 CA ALA A 46 20.116 23.783 18.162 1.00 0.00 C ATOM 740 C ALA A 46 20.234 23.262 19.595 1.00 0.00 C ATOM 741 O ALA A 46 19.801 22.151 19.897 1.00 0.00 O ATOM 742 CB ALA A 46 19.945 22.608 17.193 1.00 0.00 C ATOM 0 H ALA A 46 21.114 25.555 17.639 1.00 0.00 H new ATOM 0 HA ALA A 46 19.242 24.431 18.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.064 22.031 17.473 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.822 22.988 16.179 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.827 21.969 17.237 1.00 0.00 H new ATOM 748 N GLY A 47 20.809 24.077 20.473 1.00 0.00 N ATOM 749 CA GLY A 47 20.964 23.696 21.875 1.00 0.00 C ATOM 750 C GLY A 47 21.937 22.528 22.050 1.00 0.00 C ATOM 751 O GLY A 47 21.940 21.871 23.091 1.00 0.00 O ATOM 0 H GLY A 47 21.174 25.001 20.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.321 24.553 22.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.992 23.422 22.285 1.00 0.00 H new ATOM 755 N LYS A 48 22.770 22.277 21.037 1.00 0.00 N ATOM 756 CA LYS A 48 23.755 21.186 21.102 1.00 0.00 C ATOM 757 C LYS A 48 25.164 21.724 20.879 1.00 0.00 C ATOM 758 O LYS A 48 25.430 22.368 19.863 1.00 0.00 O ATOM 759 CB LYS A 48 23.458 20.139 20.032 1.00 0.00 C ATOM 760 CG LYS A 48 22.046 19.585 20.218 1.00 0.00 C ATOM 761 CD LYS A 48 21.764 18.543 19.133 1.00 0.00 C ATOM 762 CE LYS A 48 20.278 18.175 19.150 1.00 0.00 C ATOM 763 NZ LYS A 48 20.019 17.110 18.141 1.00 0.00 N ATOM 0 H LYS A 48 22.785 22.808 20.166 1.00 0.00 H new ATOM 0 HA LYS A 48 23.688 20.733 22.091 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.556 20.582 19.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.186 19.330 20.092 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.947 19.134 21.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.316 20.392 20.161 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.040 18.937 18.155 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.371 17.654 19.302 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.989 17.829 20.142 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.672 19.054 18.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.010 16.859 18.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.279 17.457 17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.587 16.269 18.370 1.00 0.00 H new ATOM 777 N GLN A 49 26.071 21.448 21.816 1.00 0.00 N ATOM 778 CA GLN A 49 27.447 21.899 21.678 1.00 0.00 C ATOM 779 C GLN A 49 28.190 21.027 20.678 1.00 0.00 C ATOM 780 O GLN A 49 28.104 19.800 20.731 1.00 0.00 O ATOM 781 CB GLN A 49 28.161 21.853 23.019 1.00 0.00 C ATOM 782 CG GLN A 49 27.567 22.908 23.951 1.00 0.00 C ATOM 783 CD GLN A 49 28.230 22.825 25.322 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.556 22.587 26.324 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.518 23.006 25.426 1.00 0.00 N ATOM 0 H GLN A 49 25.877 20.921 22.667 1.00 0.00 H new ATOM 0 HA GLN A 49 27.433 22.928 21.318 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.060 20.863 23.463 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.227 22.033 22.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.711 23.902 23.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.492 22.756 24.048 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.074 23.203 24.594 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.969 22.950 26.339 1.00 0.00 H new ATOM 794 N LEU A 50 28.893 21.659 19.752 1.00 0.00 N ATOM 795 CA LEU A 50 29.615 20.908 18.733 1.00 0.00 C ATOM 796 C LEU A 50 30.817 20.183 19.338 1.00 0.00 C ATOM 797 O LEU A 50 31.558 20.747 20.144 1.00 0.00 O ATOM 798 CB LEU A 50 30.067 21.852 17.619 1.00 0.00 C ATOM 799 CG LEU A 50 28.872 22.204 16.721 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.737 22.797 17.561 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.306 23.230 15.675 1.00 0.00 C ATOM 0 H LEU A 50 28.980 22.673 19.683 1.00 0.00 H new ATOM 0 HA LEU A 50 28.945 20.156 18.315 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.491 22.760 18.048 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.853 21.382 17.027 1.00 0.00 H new ATOM 0 HG LEU A 50 28.521 21.296 16.230 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.895 23.043 16.914 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.420 22.070 18.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.087 23.701 18.059 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.458 23.480 15.037 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.662 24.131 16.175 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.107 22.812 15.066 1.00 0.00 H new ATOM 813 N GLU A 51 30.991 18.919 18.946 1.00 0.00 N ATOM 814 CA GLU A 51 32.084 18.097 19.441 1.00 0.00 C ATOM 815 C GLU A 51 33.425 18.542 18.858 1.00 0.00 C ATOM 816 O GLU A 51 33.547 18.761 17.652 1.00 0.00 O ATOM 817 CB GLU A 51 31.816 16.640 19.077 1.00 0.00 C ATOM 818 CG GLU A 51 32.668 15.733 19.954 1.00 0.00 C ATOM 819 CD GLU A 51 32.568 14.291 19.467 1.00 0.00 C ATOM 820 OE1 GLU A 51 31.486 13.733 19.546 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.574 13.769 19.016 1.00 0.00 O ATOM 0 H GLU A 51 30.380 18.444 18.281 1.00 0.00 H new ATOM 0 HA GLU A 51 32.140 18.208 20.524 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.760 16.408 19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.047 16.468 18.026 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.707 16.062 19.930 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.336 15.799 20.990 1.00 0.00 H new ATOM 828 N ASP A 52 34.416 18.689 19.730 1.00 0.00 N ATOM 829 CA ASP A 52 35.740 19.129 19.326 1.00 0.00 C ATOM 830 C ASP A 52 36.422 18.157 18.357 1.00 0.00 C ATOM 831 O ASP A 52 37.640 18.220 18.190 1.00 0.00 O ATOM 832 CB ASP A 52 36.623 19.287 20.567 1.00 0.00 C ATOM 833 CG ASP A 52 36.096 20.415 21.447 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.288 21.189 20.965 1.00 0.00 O ATOM 835 OD2 ASP A 52 36.510 20.487 22.594 1.00 0.00 O ATOM 0 H ASP A 52 34.323 18.507 20.729 1.00 0.00 H new ATOM 0 HA ASP A 52 35.615 20.079 18.806 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.641 18.354 21.131 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.649 19.499 20.268 1.00 0.00 H new ATOM 840 N GLY A 53 35.668 17.253 17.720 1.00 0.00 N ATOM 841 CA GLY A 53 36.301 16.302 16.797 1.00 0.00 C ATOM 842 C GLY A 53 35.339 15.727 15.754 1.00 0.00 C ATOM 843 O GLY A 53 35.631 14.691 15.157 1.00 0.00 O ATOM 0 H GLY A 53 34.657 17.159 17.819 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.124 16.799 16.284 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.732 15.483 17.372 1.00 0.00 H new ATOM 847 N ARG A 54 34.207 16.393 15.514 1.00 0.00 N ATOM 848 CA ARG A 54 33.240 15.907 14.510 1.00 0.00 C ATOM 849 C ARG A 54 33.265 16.775 13.253 1.00 0.00 C ATOM 850 O ARG A 54 33.953 17.799 13.196 1.00 0.00 O ATOM 851 CB ARG A 54 31.816 15.885 15.100 1.00 0.00 C ATOM 852 CG ARG A 54 31.596 14.587 15.896 1.00 0.00 C ATOM 853 CD ARG A 54 30.142 14.509 16.375 1.00 0.00 C ATOM 854 NE ARG A 54 30.047 13.624 17.534 1.00 0.00 N ATOM 855 CZ ARG A 54 28.894 13.440 18.173 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.838 12.637 19.202 1.00 0.00 N ATOM 857 NH2 ARG A 54 27.820 14.064 17.774 1.00 0.00 N ATOM 0 H ARG A 54 33.935 17.254 15.987 1.00 0.00 H new ATOM 0 HA ARG A 54 33.530 14.893 14.234 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.669 16.748 15.749 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.080 15.959 14.299 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.829 13.724 15.273 1.00 0.00 H new ATOM 0 HG3 ARG A 54 32.272 14.555 16.751 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.782 15.504 16.636 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.505 14.140 15.572 1.00 0.00 H new ATOM 0 HE ARG A 54 30.882 13.137 17.860 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.678 12.151 19.516 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.954 12.496 19.692 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.864 14.693 16.972 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.937 13.923 18.264 1.00 0.00 H new ATOM 871 N THR A 55 32.501 16.339 12.247 1.00 0.00 N ATOM 872 CA THR A 55 32.408 17.053 10.968 1.00 0.00 C ATOM 873 C THR A 55 31.049 17.730 10.835 1.00 0.00 C ATOM 874 O THR A 55 30.044 17.255 11.380 1.00 0.00 O ATOM 875 CB THR A 55 32.602 16.076 9.803 1.00 0.00 C ATOM 876 OG1 THR A 55 31.632 15.041 9.890 1.00 0.00 O ATOM 877 CG2 THR A 55 34.006 15.469 9.865 1.00 0.00 C ATOM 0 H THR A 55 31.935 15.491 12.293 1.00 0.00 H new ATOM 0 HA THR A 55 33.191 17.811 10.941 1.00 0.00 H new ATOM 0 HB THR A 55 32.484 16.609 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.753 14.416 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.139 14.775 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.749 16.263 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.130 14.936 10.807 1.00 0.00 H new ATOM 885 N LEU A 56 31.000 18.828 10.086 1.00 0.00 N ATOM 886 CA LEU A 56 29.744 19.515 9.891 1.00 0.00 C ATOM 887 C LEU A 56 28.736 18.554 9.278 1.00 0.00 C ATOM 888 O LEU A 56 27.554 18.612 9.598 1.00 0.00 O ATOM 889 CB LEU A 56 29.937 20.737 8.991 1.00 0.00 C ATOM 890 CG LEU A 56 30.607 21.874 9.784 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.072 21.520 10.081 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.552 23.156 8.955 1.00 0.00 C ATOM 0 H LEU A 56 31.802 19.248 9.616 1.00 0.00 H new ATOM 0 HA LEU A 56 29.369 19.862 10.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.551 20.472 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.974 21.070 8.605 1.00 0.00 H new ATOM 0 HG LEU A 56 30.080 22.016 10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.536 22.331 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.113 20.603 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.608 21.374 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.024 23.968 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.080 23.003 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.513 23.413 8.751 1.00 0.00 H new ATOM 904 N SER A 57 29.199 17.679 8.380 1.00 0.00 N ATOM 905 CA SER A 57 28.313 16.722 7.720 1.00 0.00 C ATOM 906 C SER A 57 27.393 16.038 8.724 1.00 0.00 C ATOM 907 O SER A 57 26.205 15.832 8.449 1.00 0.00 O ATOM 908 CB SER A 57 29.145 15.666 6.991 1.00 0.00 C ATOM 909 OG SER A 57 28.276 14.767 6.315 1.00 0.00 O ATOM 0 H SER A 57 30.177 17.615 8.096 1.00 0.00 H new ATOM 0 HA SER A 57 27.697 17.268 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.817 16.144 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.768 15.123 7.702 1.00 0.00 H new ATOM 0 HG SER A 57 28.807 14.090 5.846 1.00 0.00 H new ATOM 915 N ASP A 58 27.932 15.716 9.896 1.00 0.00 N ATOM 916 CA ASP A 58 27.127 15.088 10.931 1.00 0.00 C ATOM 917 C ASP A 58 26.044 16.064 11.358 1.00 0.00 C ATOM 918 O ASP A 58 24.897 15.688 11.617 1.00 0.00 O ATOM 919 CB ASP A 58 28.001 14.715 12.137 1.00 0.00 C ATOM 920 CG ASP A 58 28.908 13.538 11.789 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.638 12.878 10.799 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.861 13.314 12.518 1.00 0.00 O ATOM 0 H ASP A 58 28.907 15.877 10.148 1.00 0.00 H new ATOM 0 HA ASP A 58 26.677 14.175 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.604 15.572 12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.369 14.457 12.987 1.00 0.00 H new ATOM 927 N TYR A 59 26.430 17.333 11.416 1.00 0.00 N ATOM 928 CA TYR A 59 25.511 18.394 11.806 1.00 0.00 C ATOM 929 C TYR A 59 24.681 18.887 10.614 1.00 0.00 C ATOM 930 O TYR A 59 23.776 19.704 10.782 1.00 0.00 O ATOM 931 CB TYR A 59 26.315 19.557 12.385 1.00 0.00 C ATOM 932 CG TYR A 59 26.881 19.165 13.736 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.209 18.729 13.841 1.00 0.00 C ATOM 934 CD2 TYR A 59 26.077 19.234 14.883 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.731 18.362 15.089 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.602 18.868 16.131 1.00 0.00 C ATOM 937 CZ TYR A 59 27.928 18.431 16.232 1.00 0.00 C ATOM 938 OH TYR A 59 28.442 18.065 17.460 1.00 0.00 O ATOM 0 H TYR A 59 27.374 17.652 11.198 1.00 0.00 H new ATOM 0 HA TYR A 59 24.822 17.997 12.551 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.124 19.826 11.706 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.679 20.436 12.488 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.831 18.676 12.959 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.053 19.569 14.805 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.754 18.026 15.168 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.983 18.923 17.014 1.00 0.00 H new ATOM 0 HH TYR A 59 27.753 18.173 18.148 1.00 0.00 H new ATOM 948 N ASN A 60 24.984 18.390 9.413 1.00 0.00 N ATOM 949 CA ASN A 60 24.239 18.802 8.221 1.00 0.00 C ATOM 950 C ASN A 60 22.917 18.047 8.145 1.00 0.00 C ATOM 951 O ASN A 60 21.860 18.630 7.908 1.00 0.00 O ATOM 952 CB ASN A 60 25.056 18.531 6.951 1.00 0.00 C ATOM 953 CG ASN A 60 26.280 19.440 6.910 1.00 0.00 C ATOM 954 OD1 ASN A 60 26.494 20.275 7.888 1.00 0.00 O flip ATOM 955 ND2 ASN A 60 27.062 19.387 5.960 1.00 0.00 N flip ATOM 0 H ASN A 60 25.727 17.713 9.241 1.00 0.00 H new ATOM 0 HA ASN A 60 24.044 19.872 8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.368 17.487 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.438 18.700 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 60 26.893 18.733 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 60 27.879 19.997 5.937 1.00 0.00 H new ATOM 962 N ILE A 61 22.970 16.745 8.370 1.00 0.00 N ATOM 963 CA ILE A 61 21.743 15.953 8.334 1.00 0.00 C ATOM 964 C ILE A 61 20.714 16.590 9.264 1.00 0.00 C ATOM 965 O ILE A 61 19.566 16.826 8.884 1.00 0.00 O ATOM 966 CB ILE A 61 22.031 14.513 8.768 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.987 13.870 7.760 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.725 13.714 8.821 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.552 12.577 8.349 1.00 0.00 C ATOM 0 H ILE A 61 23.821 16.222 8.574 1.00 0.00 H new ATOM 0 HA ILE A 61 21.351 15.932 7.317 1.00 0.00 H new ATOM 0 HB ILE A 61 22.485 14.514 9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.462 13.659 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.798 14.558 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.937 12.691 9.130 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.045 14.176 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.263 13.706 7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.233 12.118 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.091 12.802 9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.735 11.889 8.566 1.00 0.00 H new ATOM 981 N GLN A 62 21.152 16.869 10.485 1.00 0.00 N ATOM 982 CA GLN A 62 20.287 17.483 11.481 1.00 0.00 C ATOM 983 C GLN A 62 20.082 18.970 11.172 1.00 0.00 C ATOM 984 O GLN A 62 20.115 19.810 12.073 1.00 0.00 O ATOM 985 CB GLN A 62 20.913 17.332 12.868 1.00 0.00 C ATOM 986 CG GLN A 62 20.961 15.851 13.253 1.00 0.00 C ATOM 987 CD GLN A 62 21.808 15.668 14.508 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.746 16.431 14.741 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.534 14.697 15.336 1.00 0.00 N ATOM 0 H GLN A 62 22.101 16.680 10.808 1.00 0.00 H new ATOM 0 HA GLN A 62 19.319 16.983 11.458 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.919 17.751 12.871 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.332 17.890 13.603 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.952 15.479 13.428 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.379 15.267 12.433 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.757 14.066 15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.097 14.570 16.177 1.00 0.00 H new ATOM 998 N LYS A 63 19.844 19.287 9.898 1.00 0.00 N ATOM 999 CA LYS A 63 19.605 20.676 9.484 1.00 0.00 C ATOM 1000 C LYS A 63 18.149 21.098 9.734 1.00 0.00 C ATOM 1001 O LYS A 63 17.445 21.502 8.809 1.00 0.00 O ATOM 1002 CB LYS A 63 19.955 20.869 7.999 1.00 0.00 C ATOM 1003 CG LYS A 63 19.197 19.855 7.127 1.00 0.00 C ATOM 1004 CD LYS A 63 19.812 19.810 5.727 1.00 0.00 C ATOM 1005 CE LYS A 63 19.812 21.213 5.121 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.515 21.884 5.420 1.00 0.00 N ATOM 0 H LYS A 63 19.811 18.608 9.138 1.00 0.00 H new ATOM 0 HA LYS A 63 20.253 21.310 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.703 21.883 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.029 20.750 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.239 18.866 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.145 20.132 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.831 19.425 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.246 19.129 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.638 21.796 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.964 21.155 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.311 22.589 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.754 21.175 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.574 22.357 6.344 1.00 0.00 H new ATOM 1020 N GLU A 64 17.701 21.004 10.976 1.00 0.00 N ATOM 1021 CA GLU A 64 16.322 21.373 11.297 1.00 0.00 C ATOM 1022 C GLU A 64 16.026 22.791 10.815 1.00 0.00 C ATOM 1023 O GLU A 64 14.898 23.110 10.437 1.00 0.00 O ATOM 1024 CB GLU A 64 16.109 21.308 12.813 1.00 0.00 C ATOM 1025 CG GLU A 64 16.439 19.903 13.326 1.00 0.00 C ATOM 1026 CD GLU A 64 15.513 18.878 12.682 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.417 19.255 12.302 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.913 17.730 12.576 1.00 0.00 O ATOM 0 H GLU A 64 18.256 20.682 11.769 1.00 0.00 H new ATOM 0 HA GLU A 64 15.651 20.675 10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.741 22.044 13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.076 21.560 13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.477 19.659 13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.333 19.869 14.410 1.00 0.00 H new ATOM 1049 N THR A 66 18.510 26.529 9.267 1.00 0.00 N ATOM 1050 CA THR A 66 19.562 26.897 8.320 1.00 0.00 C ATOM 1051 C THR A 66 20.917 26.754 9.000 1.00 0.00 C ATOM 1052 O THR A 66 20.984 26.371 10.170 1.00 0.00 O ATOM 1053 CB THR A 66 19.354 28.346 7.846 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.747 29.098 8.889 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.447 28.357 6.616 1.00 0.00 C ATOM 0 HA THR A 66 19.523 26.239 7.452 1.00 0.00 H new ATOM 0 HB THR A 66 20.317 28.787 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.234 28.498 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.300 29.384 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.910 27.778 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.483 27.917 6.871 1.00 0.00 H new ATOM 1063 N LEU A 67 22.003 27.040 8.280 1.00 0.00 N ATOM 1064 CA LEU A 67 23.336 26.906 8.847 1.00 0.00 C ATOM 1065 C LEU A 67 23.686 28.122 9.698 1.00 0.00 C ATOM 1066 O LEU A 67 24.793 28.666 9.616 1.00 0.00 O ATOM 1067 CB LEU A 67 24.354 26.765 7.704 1.00 0.00 C ATOM 1068 CG LEU A 67 23.884 25.686 6.710 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.765 25.715 5.457 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.979 24.303 7.362 1.00 0.00 C ATOM 0 H LEU A 67 21.982 27.363 7.313 1.00 0.00 H new ATOM 0 HA LEU A 67 23.363 26.022 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.470 27.719 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.331 26.499 8.107 1.00 0.00 H new ATOM 0 HG LEU A 67 22.849 25.887 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.428 24.950 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.694 26.695 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.801 25.521 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.645 23.544 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.012 24.105 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.347 24.275 8.249 1.00 0.00 H new ATOM 1082 N HIS A 68 22.729 28.529 10.520 1.00 0.00 N ATOM 1083 CA HIS A 68 22.928 29.664 11.410 1.00 0.00 C ATOM 1084 C HIS A 68 23.614 29.185 12.680 1.00 0.00 C ATOM 1085 O HIS A 68 23.099 28.316 13.385 1.00 0.00 O ATOM 1086 CB HIS A 68 21.582 30.298 11.757 1.00 0.00 C ATOM 1087 CG HIS A 68 21.781 31.385 12.778 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.174 31.348 14.024 1.00 0.00 N ATOM 1089 CD2 HIS A 68 22.512 32.546 12.751 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.547 32.456 14.689 1.00 0.00 C ATOM 1091 NE2 HIS A 68 22.362 33.220 13.959 1.00 0.00 N ATOM 0 H HIS A 68 21.810 28.092 10.589 1.00 0.00 H new ATOM 0 HA HIS A 68 23.550 30.410 10.915 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.121 30.709 10.859 1.00 0.00 H new ATOM 0 HB3 HIS A 68 20.902 29.540 12.146 1.00 0.00 H new ATOM 0 HD1 HIS A 68 20.557 30.614 14.373 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.112 32.885 11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.226 32.698 15.691 1.00 0.00 H new ATOM 1100 N LEU A 69 24.784 29.746 12.960 1.00 0.00 N ATOM 1101 CA LEU A 69 25.557 29.368 14.138 1.00 0.00 C ATOM 1102 C LEU A 69 25.629 30.529 15.119 1.00 0.00 C ATOM 1103 O LEU A 69 25.892 31.667 14.727 1.00 0.00 O ATOM 1104 CB LEU A 69 26.968 28.960 13.688 1.00 0.00 C ATOM 1105 CG LEU A 69 27.868 28.673 14.897 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.205 27.638 15.816 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.211 28.127 14.398 1.00 0.00 C ATOM 0 H LEU A 69 25.220 30.467 12.385 1.00 0.00 H new ATOM 0 HA LEU A 69 25.075 28.531 14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.910 28.075 13.055 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.406 29.755 13.085 1.00 0.00 H new ATOM 0 HG LEU A 69 28.024 29.594 15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.853 27.442 16.670 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.248 28.023 16.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.043 26.712 15.264 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.859 27.920 15.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.044 27.208 13.837 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.686 28.865 13.752 1.00 0.00 H new ATOM 1119 N VAL A 70 25.413 30.230 16.400 1.00 0.00 N ATOM 1120 CA VAL A 70 25.480 31.252 17.439 1.00 0.00 C ATOM 1121 C VAL A 70 26.763 31.100 18.242 1.00 0.00 C ATOM 1122 O VAL A 70 27.072 30.016 18.744 1.00 0.00 O ATOM 1123 CB VAL A 70 24.263 31.150 18.358 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.375 32.175 19.485 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.007 31.441 17.544 1.00 0.00 C ATOM 0 H VAL A 70 25.192 29.294 16.740 1.00 0.00 H new ATOM 0 HA VAL A 70 25.479 32.234 16.967 1.00 0.00 H new ATOM 0 HB VAL A 70 24.214 30.149 18.786 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.504 32.097 20.136 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.279 31.983 20.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.422 33.178 19.061 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.131 31.371 18.189 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.070 32.445 17.125 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.921 30.715 16.736 1.00 0.00 H new ATOM 1135 N LEU A 71 27.510 32.196 18.357 1.00 0.00 N ATOM 1136 CA LEU A 71 28.770 32.180 19.101 1.00 0.00 C ATOM 1137 C LEU A 71 28.556 32.594 20.554 1.00 0.00 C ATOM 1138 O LEU A 71 28.134 33.715 20.838 1.00 0.00 O ATOM 1139 CB LEU A 71 29.786 33.120 18.448 1.00 0.00 C ATOM 1140 CG LEU A 71 31.188 32.847 19.022 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.713 31.472 18.550 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.145 33.952 18.558 1.00 0.00 C ATOM 0 H LEU A 71 27.269 33.099 17.949 1.00 0.00 H new ATOM 0 HA LEU A 71 29.154 31.160 19.082 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.790 32.974 17.368 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.504 34.157 18.628 1.00 0.00 H new ATOM 0 HG LEU A 71 31.129 32.838 20.110 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.705 31.299 18.967 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.035 30.688 18.888 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.769 31.458 17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.140 33.764 18.961 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.190 33.960 17.469 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.785 34.918 18.914 1.00 0.00 H new ATOM 1154 N ARG A 72 28.875 31.681 21.470 1.00 0.00 N ATOM 1155 CA ARG A 72 28.751 31.938 22.906 1.00 0.00 C ATOM 1156 C ARG A 72 30.138 32.194 23.497 1.00 0.00 C ATOM 1157 O ARG A 72 31.115 31.565 23.093 1.00 0.00 O ATOM 1158 CB ARG A 72 28.095 30.717 23.594 1.00 0.00 C ATOM 1159 CG ARG A 72 26.611 30.980 23.884 1.00 0.00 C ATOM 1160 CD ARG A 72 25.858 31.216 22.575 1.00 0.00 C ATOM 1161 NE ARG A 72 24.420 31.108 22.797 1.00 0.00 N ATOM 1162 CZ ARG A 72 23.734 32.106 23.346 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.448 31.989 23.535 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.349 33.202 23.699 1.00 0.00 N ATOM 0 H ARG A 72 29.224 30.750 21.242 1.00 0.00 H new ATOM 0 HA ARG A 72 28.126 32.816 23.071 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.194 29.839 22.956 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.617 30.496 24.525 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.179 30.131 24.414 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.507 31.848 24.535 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.100 32.203 22.180 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.174 30.488 21.828 1.00 0.00 H new ATOM 0 HE ARG A 72 23.933 30.253 22.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.968 31.131 23.262 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.923 32.755 23.956 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.355 33.292 23.554 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.824 33.968 24.120 1.00 0.00 H new