USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 64 SER OG : rot -99:sc= 0.82 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 SER OG : rot 85:sc= 0.922 USER MOD Set 2.2: B 15 THR OG1 : rot 83:sc= 0.507 USER MOD Single : A 6 THR OG1 : rot 36:sc= 0.866 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.11! C(o=-4.1!,f=-5.5!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 88:sc= 0.231 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 146:sc= -5.36! (180deg=-7.06!) USER MOD Single : A 60 TYR OH : rot -166:sc= 0.0894 USER MOD Single : A 68 TYR OH : rot 30:sc= -1.65! USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 GLN : amide:sc= -0.617 K(o=-0.62,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.578 -7.883 8.725 1.00 0.00 N ATOM 67 CA THR A 6 1.753 -7.600 9.599 1.00 0.00 C ATOM 68 C THR A 6 2.927 -8.507 9.216 1.00 0.00 C ATOM 69 O THR A 6 3.974 -8.042 8.808 1.00 0.00 O ATOM 70 CB THR A 6 1.272 -7.907 11.016 1.00 0.00 C ATOM 71 OG1 THR A 6 -0.107 -7.584 11.126 1.00 0.00 O ATOM 72 CG2 THR A 6 2.075 -7.080 12.021 1.00 0.00 C ATOM 0 HA THR A 6 2.105 -6.573 9.503 1.00 0.00 H new ATOM 0 HB THR A 6 1.415 -8.967 11.227 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.560 -7.790 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.730 -7.300 13.031 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.132 -7.330 11.936 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.935 -6.019 11.813 1.00 0.00 H new ATOM 80 N ALA A 7 2.758 -9.795 9.332 1.00 0.00 N ATOM 81 CA ALA A 7 3.862 -10.727 8.963 1.00 0.00 C ATOM 82 C ALA A 7 4.172 -10.577 7.474 1.00 0.00 C ATOM 83 O ALA A 7 5.314 -10.571 7.060 1.00 0.00 O ATOM 84 CB ALA A 7 3.323 -12.125 9.263 1.00 0.00 C ATOM 0 H ALA A 7 1.905 -10.243 9.666 1.00 0.00 H new ATOM 0 HA ALA A 7 4.783 -10.529 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.081 -12.868 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.073 -12.199 10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.429 -12.306 8.666 1.00 0.00 H new ATOM 90 N GLU A 8 3.155 -10.438 6.671 1.00 0.00 N ATOM 91 CA GLU A 8 3.371 -10.265 5.209 1.00 0.00 C ATOM 92 C GLU A 8 4.321 -9.092 4.970 1.00 0.00 C ATOM 93 O GLU A 8 5.111 -9.095 4.046 1.00 0.00 O ATOM 94 CB GLU A 8 1.987 -9.965 4.632 1.00 0.00 C ATOM 95 CG GLU A 8 2.092 -9.792 3.115 1.00 0.00 C ATOM 96 CD GLU A 8 1.523 -11.030 2.418 1.00 0.00 C ATOM 97 OE1 GLU A 8 0.399 -11.393 2.723 1.00 0.00 O ATOM 98 OE2 GLU A 8 2.222 -11.594 1.593 1.00 0.00 O ATOM 0 H GLU A 8 2.179 -10.437 6.967 1.00 0.00 H new ATOM 0 HA GLU A 8 3.816 -11.144 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.299 -10.776 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.581 -9.060 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.546 -8.902 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.133 -9.646 2.826 1.00 0.00 H new ATOM 105 N GLN A 9 4.242 -8.084 5.794 1.00 0.00 N ATOM 106 CA GLN A 9 5.132 -6.902 5.614 1.00 0.00 C ATOM 107 C GLN A 9 6.601 -7.326 5.710 1.00 0.00 C ATOM 108 O GLN A 9 7.435 -6.872 4.951 1.00 0.00 O ATOM 109 CB GLN A 9 4.770 -5.956 6.760 1.00 0.00 C ATOM 110 CG GLN A 9 4.697 -4.522 6.236 1.00 0.00 C ATOM 111 CD GLN A 9 4.422 -3.566 7.399 1.00 0.00 C ATOM 112 OE1 GLN A 9 4.376 -3.978 8.541 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.237 -2.297 7.155 1.00 0.00 N ATOM 0 H GLN A 9 3.600 -8.027 6.584 1.00 0.00 H new ATOM 0 HA GLN A 9 5.001 -6.431 4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.813 -6.244 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.515 -6.027 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.633 -4.255 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.909 -4.437 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.276 -1.951 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.054 -1.651 7.923 1.00 0.00 H new ATOM 122 N VAL A 10 6.927 -8.198 6.625 1.00 0.00 N ATOM 123 CA VAL A 10 8.345 -8.645 6.744 1.00 0.00 C ATOM 124 C VAL A 10 8.801 -9.254 5.415 1.00 0.00 C ATOM 125 O VAL A 10 9.892 -9.001 4.946 1.00 0.00 O ATOM 126 CB VAL A 10 8.346 -9.702 7.849 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.746 -10.299 7.984 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.942 -9.050 9.173 1.00 0.00 C ATOM 0 H VAL A 10 6.279 -8.618 7.291 1.00 0.00 H new ATOM 0 HA VAL A 10 9.023 -7.824 6.978 1.00 0.00 H new ATOM 0 HB VAL A 10 7.638 -10.492 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.746 -11.052 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.037 -10.761 7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.455 -9.510 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.942 -9.801 9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.652 -8.262 9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.944 -8.622 9.078 1.00 0.00 H new ATOM 138 N ILE A 11 7.964 -10.044 4.801 1.00 0.00 N ATOM 139 CA ILE A 11 8.337 -10.658 3.496 1.00 0.00 C ATOM 140 C ILE A 11 8.559 -9.554 2.461 1.00 0.00 C ATOM 141 O ILE A 11 9.563 -9.523 1.778 1.00 0.00 O ATOM 142 CB ILE A 11 7.140 -11.529 3.109 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.917 -12.594 4.183 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.415 -12.211 1.768 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.672 -13.415 3.840 1.00 0.00 C ATOM 0 H ILE A 11 7.037 -10.291 5.147 1.00 0.00 H new ATOM 0 HA ILE A 11 9.255 -11.242 3.551 1.00 0.00 H new ATOM 0 HB ILE A 11 6.251 -10.904 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.788 -13.246 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.797 -12.122 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.562 -12.831 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.575 -11.454 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.305 -12.835 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.514 -14.174 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.804 -12.758 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.810 -13.899 2.873 1.00 0.00 H new ATOM 157 N ALA A 12 7.634 -8.638 2.354 1.00 0.00 N ATOM 158 CA ALA A 12 7.800 -7.526 1.378 1.00 0.00 C ATOM 159 C ALA A 12 9.078 -6.755 1.705 1.00 0.00 C ATOM 160 O ALA A 12 9.882 -6.467 0.841 1.00 0.00 O ATOM 161 CB ALA A 12 6.569 -6.640 1.570 1.00 0.00 C ATOM 0 H ALA A 12 6.773 -8.613 2.900 1.00 0.00 H new ATOM 0 HA ALA A 12 7.883 -7.875 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.618 -5.795 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.668 -7.220 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.542 -6.273 2.596 1.00 0.00 H new ATOM 167 N SER A 13 9.278 -6.431 2.954 1.00 0.00 N ATOM 168 CA SER A 13 10.513 -5.695 3.339 1.00 0.00 C ATOM 169 C SER A 13 11.732 -6.569 3.045 1.00 0.00 C ATOM 170 O SER A 13 12.745 -6.100 2.562 1.00 0.00 O ATOM 171 CB SER A 13 10.377 -5.443 4.841 1.00 0.00 C ATOM 172 OG SER A 13 9.180 -4.718 5.087 1.00 0.00 O ATOM 0 H SER A 13 8.641 -6.644 3.721 1.00 0.00 H new ATOM 0 HA SER A 13 10.638 -4.762 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.360 -6.390 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.237 -4.883 5.207 1.00 0.00 H new ATOM 0 HG SER A 13 8.428 -5.342 5.156 1.00 0.00 H new ATOM 178 N PHE A 14 11.636 -7.842 3.321 1.00 0.00 N ATOM 179 CA PHE A 14 12.783 -8.753 3.042 1.00 0.00 C ATOM 180 C PHE A 14 12.974 -8.888 1.531 1.00 0.00 C ATOM 181 O PHE A 14 14.082 -8.882 1.031 1.00 0.00 O ATOM 182 CB PHE A 14 12.388 -10.095 3.660 1.00 0.00 C ATOM 183 CG PHE A 14 13.039 -10.233 5.016 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.426 -10.096 5.143 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.255 -10.497 6.145 1.00 0.00 C ATOM 186 CE1 PHE A 14 15.030 -10.223 6.400 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.858 -10.623 7.401 1.00 0.00 C ATOM 188 CZ PHE A 14 14.245 -10.487 7.530 1.00 0.00 C ATOM 0 H PHE A 14 10.814 -8.290 3.727 1.00 0.00 H new ATOM 0 HA PHE A 14 13.722 -8.384 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.304 -10.159 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.699 -10.913 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 14 15.031 -9.892 4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.185 -10.603 6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 14 16.100 -10.117 6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.253 -10.825 8.272 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.710 -10.585 8.500 1.00 0.00 H new ATOM 198 N ARG A 15 11.899 -9.000 0.797 1.00 0.00 N ATOM 199 CA ARG A 15 12.020 -9.123 -0.683 1.00 0.00 C ATOM 200 C ARG A 15 12.870 -7.972 -1.221 1.00 0.00 C ATOM 201 O ARG A 15 13.764 -8.166 -2.020 1.00 0.00 O ATOM 202 CB ARG A 15 10.588 -9.026 -1.209 1.00 0.00 C ATOM 203 CG ARG A 15 10.366 -10.087 -2.288 1.00 0.00 C ATOM 204 CD ARG A 15 9.326 -9.583 -3.292 1.00 0.00 C ATOM 205 NE ARG A 15 8.277 -10.640 -3.322 1.00 0.00 N ATOM 206 CZ ARG A 15 7.407 -10.729 -2.353 1.00 0.00 C ATOM 207 NH1 ARG A 15 7.449 -9.890 -1.353 1.00 0.00 N ATOM 208 NH2 ARG A 15 6.492 -11.659 -2.384 1.00 0.00 N ATOM 0 H ARG A 15 10.945 -9.012 1.158 1.00 0.00 H new ATOM 0 HA ARG A 15 12.498 -10.053 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.879 -9.169 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.407 -8.032 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.304 -10.304 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.027 -11.018 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.911 -8.624 -2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.767 -9.437 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 15 8.238 -11.296 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.163 -9.162 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.768 -9.962 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.458 -12.315 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.811 -11.730 -1.628 1.00 0.00 H new ATOM 222 N ILE A 16 12.605 -6.773 -0.777 1.00 0.00 N ATOM 223 CA ILE A 16 13.406 -5.611 -1.251 1.00 0.00 C ATOM 224 C ILE A 16 14.882 -5.848 -0.925 1.00 0.00 C ATOM 225 O ILE A 16 15.754 -5.628 -1.742 1.00 0.00 O ATOM 226 CB ILE A 16 12.862 -4.410 -0.473 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.552 -3.943 -1.112 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.881 -3.267 -0.508 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.651 -3.322 -0.041 1.00 0.00 C ATOM 0 H ILE A 16 11.869 -6.549 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 16 13.332 -5.455 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 16 12.682 -4.701 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.758 -3.214 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.046 -4.785 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.490 -2.414 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.815 -3.598 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 16 14.064 -2.974 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.719 -2.990 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.435 -4.064 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.158 -2.469 0.411 1.00 0.00 H new ATOM 241 N LEU A 17 15.165 -6.305 0.265 1.00 0.00 N ATOM 242 CA LEU A 17 16.580 -6.571 0.648 1.00 0.00 C ATOM 243 C LEU A 17 17.146 -7.702 -0.213 1.00 0.00 C ATOM 244 O LEU A 17 18.289 -7.671 -0.626 1.00 0.00 O ATOM 245 CB LEU A 17 16.517 -6.995 2.115 1.00 0.00 C ATOM 246 CG LEU A 17 16.966 -5.836 3.005 1.00 0.00 C ATOM 247 CD1 LEU A 17 16.045 -4.634 2.784 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.898 -6.267 4.472 1.00 0.00 C ATOM 0 H LEU A 17 14.475 -6.506 0.989 1.00 0.00 H new ATOM 0 HA LEU A 17 17.223 -5.703 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.501 -7.293 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.156 -7.862 2.281 1.00 0.00 H new ATOM 0 HG LEU A 17 17.990 -5.559 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.366 -3.808 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.091 -4.327 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.021 -4.909 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.218 -5.442 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.874 -6.543 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.554 -7.123 4.631 1.00 0.00 H new ATOM 260 N ALA A 18 16.352 -8.703 -0.486 1.00 0.00 N ATOM 261 CA ALA A 18 16.841 -9.840 -1.321 1.00 0.00 C ATOM 262 C ALA A 18 16.759 -9.480 -2.807 1.00 0.00 C ATOM 263 O ALA A 18 16.943 -10.316 -3.669 1.00 0.00 O ATOM 264 CB ALA A 18 15.901 -11.001 -0.997 1.00 0.00 C ATOM 0 H ALA A 18 15.386 -8.783 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 18 17.882 -10.088 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.195 -11.879 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.958 -11.230 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.879 -10.724 -1.254 1.00 0.00 H new ATOM 270 N SER A 19 16.486 -8.241 -3.115 1.00 0.00 N ATOM 271 CA SER A 19 16.394 -7.829 -4.545 1.00 0.00 C ATOM 272 C SER A 19 15.282 -8.610 -5.252 1.00 0.00 C ATOM 273 O SER A 19 15.482 -9.173 -6.309 1.00 0.00 O ATOM 274 CB SER A 19 17.756 -8.173 -5.146 1.00 0.00 C ATOM 275 OG SER A 19 18.309 -7.010 -5.749 1.00 0.00 O ATOM 0 H SER A 19 16.323 -7.496 -2.438 1.00 0.00 H new ATOM 0 HA SER A 19 16.156 -6.771 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.424 -8.548 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.650 -8.966 -5.887 1.00 0.00 H new ATOM 0 HG SER A 19 19.184 -7.226 -6.134 1.00 0.00 H new ATOM 281 N ASP A 20 14.112 -8.644 -4.676 1.00 0.00 N ATOM 282 CA ASP A 20 12.988 -9.386 -5.315 1.00 0.00 C ATOM 283 C ASP A 20 13.353 -10.863 -5.489 1.00 0.00 C ATOM 284 O ASP A 20 13.356 -11.386 -6.586 1.00 0.00 O ATOM 285 CB ASP A 20 12.797 -8.717 -6.678 1.00 0.00 C ATOM 286 CG ASP A 20 11.362 -8.934 -7.157 1.00 0.00 C ATOM 287 OD1 ASP A 20 10.458 -8.748 -6.359 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.190 -9.285 -8.312 1.00 0.00 O ATOM 0 H ASP A 20 13.885 -8.190 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 20 12.080 -9.355 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.009 -7.650 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.499 -9.133 -7.400 1.00 0.00 H new ATOM 293 N LYS A 21 13.656 -11.539 -4.415 1.00 0.00 N ATOM 294 CA LYS A 21 14.016 -12.981 -4.518 1.00 0.00 C ATOM 295 C LYS A 21 13.388 -13.758 -3.361 1.00 0.00 C ATOM 296 O LYS A 21 13.333 -13.277 -2.248 1.00 0.00 O ATOM 297 CB LYS A 21 15.541 -13.017 -4.424 1.00 0.00 C ATOM 298 CG LYS A 21 16.146 -12.501 -5.732 1.00 0.00 C ATOM 299 CD LYS A 21 17.334 -13.381 -6.129 1.00 0.00 C ATOM 300 CE LYS A 21 17.153 -13.862 -7.571 1.00 0.00 C ATOM 301 NZ LYS A 21 17.839 -12.837 -8.406 1.00 0.00 N ATOM 0 H LYS A 21 13.670 -11.155 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 21 13.657 -13.435 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.879 -12.404 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.880 -14.035 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.394 -12.510 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.470 -11.467 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.264 -12.819 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.409 -14.235 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.593 -14.849 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.098 -13.942 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.759 -13.097 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.395 -11.909 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.843 -12.788 -8.140 1.00 0.00 H new ATOM 315 N PRO A 22 12.938 -14.943 -3.668 1.00 0.00 N ATOM 316 CA PRO A 22 12.318 -15.773 -2.602 1.00 0.00 C ATOM 317 C PRO A 22 13.345 -16.065 -1.505 1.00 0.00 C ATOM 318 O PRO A 22 13.011 -16.539 -0.438 1.00 0.00 O ATOM 319 CB PRO A 22 11.902 -17.063 -3.310 1.00 0.00 C ATOM 320 CG PRO A 22 12.670 -17.080 -4.590 1.00 0.00 C ATOM 321 CD PRO A 22 12.949 -15.649 -4.954 1.00 0.00 C ATOM 0 HA PRO A 22 11.473 -15.280 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.134 -17.937 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.828 -17.080 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.600 -17.637 -4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.099 -17.574 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.911 -15.546 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.191 -15.255 -5.631 1.00 0.00 H new ATOM 329 N TYR A 23 14.594 -15.780 -1.761 1.00 0.00 N ATOM 330 CA TYR A 23 15.643 -16.037 -0.735 1.00 0.00 C ATOM 331 C TYR A 23 16.642 -14.877 -0.702 1.00 0.00 C ATOM 332 O TYR A 23 16.658 -14.037 -1.579 1.00 0.00 O ATOM 333 CB TYR A 23 16.331 -17.327 -1.184 1.00 0.00 C ATOM 334 CG TYR A 23 17.138 -17.063 -2.433 1.00 0.00 C ATOM 335 CD1 TYR A 23 16.531 -17.161 -3.691 1.00 0.00 C ATOM 336 CD2 TYR A 23 18.492 -16.723 -2.333 1.00 0.00 C ATOM 337 CE1 TYR A 23 17.280 -16.917 -4.849 1.00 0.00 C ATOM 338 CE2 TYR A 23 19.240 -16.480 -3.492 1.00 0.00 C ATOM 339 CZ TYR A 23 18.634 -16.577 -4.750 1.00 0.00 C ATOM 340 OH TYR A 23 19.371 -16.338 -5.891 1.00 0.00 O ATOM 0 H TYR A 23 14.932 -15.380 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 23 15.227 -16.127 0.269 1.00 0.00 H new ATOM 0 HB2 TYR A 23 16.980 -17.700 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.587 -18.100 -1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.486 -17.424 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 23 18.960 -16.648 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.812 -16.991 -5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 23 20.285 -16.218 -3.415 1.00 0.00 H new ATOM 0 HH TYR A 23 20.292 -16.114 -5.644 1.00 0.00 H new ATOM 350 N ILE A 24 17.473 -14.823 0.303 1.00 0.00 N ATOM 351 CA ILE A 24 18.465 -13.713 0.388 1.00 0.00 C ATOM 352 C ILE A 24 19.777 -14.221 0.993 1.00 0.00 C ATOM 353 O ILE A 24 19.810 -15.230 1.670 1.00 0.00 O ATOM 354 CB ILE A 24 17.819 -12.673 1.303 1.00 0.00 C ATOM 355 CG1 ILE A 24 18.708 -11.429 1.368 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.658 -13.256 2.708 1.00 0.00 C ATOM 357 CD1 ILE A 24 18.088 -10.407 2.322 1.00 0.00 C ATOM 0 H ILE A 24 17.508 -15.498 1.067 1.00 0.00 H new ATOM 0 HA ILE A 24 18.707 -13.299 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 24 16.840 -12.402 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.707 -11.701 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 24 18.817 -10.995 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.197 -12.513 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.025 -14.142 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.637 -13.528 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 24 18.721 -9.521 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 24 17.098 -10.127 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.002 -10.844 3.317 1.00 0.00 H new ATOM 369 N LEU A 25 20.858 -13.528 0.756 1.00 0.00 N ATOM 370 CA LEU A 25 22.165 -13.971 1.321 1.00 0.00 C ATOM 371 C LEU A 25 22.361 -13.380 2.719 1.00 0.00 C ATOM 372 O LEU A 25 22.008 -12.248 2.980 1.00 0.00 O ATOM 373 CB LEU A 25 23.220 -13.425 0.356 1.00 0.00 C ATOM 374 CG LEU A 25 22.845 -13.796 -1.080 1.00 0.00 C ATOM 375 CD1 LEU A 25 23.647 -12.936 -2.057 1.00 0.00 C ATOM 376 CD2 LEU A 25 23.164 -15.273 -1.323 1.00 0.00 C ATOM 0 H LEU A 25 20.893 -12.676 0.197 1.00 0.00 H new ATOM 0 HA LEU A 25 22.227 -15.055 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 25 23.292 -12.342 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.200 -13.834 0.604 1.00 0.00 H new ATOM 0 HG LEU A 25 21.780 -13.622 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 23.379 -13.201 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.422 -11.883 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 25 24.712 -13.109 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 25 22.897 -15.539 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.229 -15.445 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.593 -15.888 -0.627 1.00 0.00 H new ATOM 388 N ALA A 26 22.918 -14.140 3.621 1.00 0.00 N ATOM 389 CA ALA A 26 23.134 -13.620 5.002 1.00 0.00 C ATOM 390 C ALA A 26 24.007 -12.365 4.967 1.00 0.00 C ATOM 391 O ALA A 26 23.844 -11.460 5.762 1.00 0.00 O ATOM 392 CB ALA A 26 23.847 -14.751 5.744 1.00 0.00 C ATOM 0 H ALA A 26 23.233 -15.097 3.463 1.00 0.00 H new ATOM 0 HA ALA A 26 22.199 -13.340 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.042 -14.445 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.217 -15.641 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 26 24.791 -14.974 5.246 1.00 0.00 H new ATOM 398 N GLU A 27 24.932 -12.300 4.049 1.00 0.00 N ATOM 399 CA GLU A 27 25.812 -11.101 3.964 1.00 0.00 C ATOM 400 C GLU A 27 24.979 -9.858 3.650 1.00 0.00 C ATOM 401 O GLU A 27 25.220 -8.788 4.172 1.00 0.00 O ATOM 402 CB GLU A 27 26.776 -11.402 2.818 1.00 0.00 C ATOM 403 CG GLU A 27 28.005 -12.132 3.361 1.00 0.00 C ATOM 404 CD GLU A 27 28.984 -12.403 2.217 1.00 0.00 C ATOM 405 OE1 GLU A 27 29.176 -11.513 1.405 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.525 -13.495 2.174 1.00 0.00 O ATOM 0 H GLU A 27 25.116 -13.025 3.355 1.00 0.00 H new ATOM 0 HA GLU A 27 26.337 -10.904 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.281 -12.014 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.077 -10.475 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.487 -11.531 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 27 27.707 -13.070 3.829 1.00 0.00 H new ATOM 413 N GLU A 28 23.995 -9.991 2.803 1.00 0.00 N ATOM 414 CA GLU A 28 23.146 -8.816 2.461 1.00 0.00 C ATOM 415 C GLU A 28 22.503 -8.264 3.733 1.00 0.00 C ATOM 416 O GLU A 28 22.419 -7.069 3.932 1.00 0.00 O ATOM 417 CB GLU A 28 22.082 -9.355 1.505 1.00 0.00 C ATOM 418 CG GLU A 28 22.033 -8.476 0.253 1.00 0.00 C ATOM 419 CD GLU A 28 23.312 -8.676 -0.561 1.00 0.00 C ATOM 420 OE1 GLU A 28 23.607 -9.812 -0.896 1.00 0.00 O ATOM 421 OE2 GLU A 28 23.975 -7.689 -0.836 1.00 0.00 O ATOM 0 H GLU A 28 23.743 -10.861 2.334 1.00 0.00 H new ATOM 0 HA GLU A 28 23.715 -8.004 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.311 -10.385 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.108 -9.364 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 28 21.162 -8.732 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 28 21.929 -7.428 0.535 1.00 0.00 H new ATOM 428 N LEU A 29 22.058 -9.129 4.602 1.00 0.00 N ATOM 429 CA LEU A 29 21.432 -8.659 5.868 1.00 0.00 C ATOM 430 C LEU A 29 22.437 -7.814 6.655 1.00 0.00 C ATOM 431 O LEU A 29 22.084 -6.848 7.299 1.00 0.00 O ATOM 432 CB LEU A 29 21.086 -9.934 6.638 1.00 0.00 C ATOM 433 CG LEU A 29 19.598 -10.250 6.477 1.00 0.00 C ATOM 434 CD1 LEU A 29 18.773 -9.261 7.301 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.207 -10.133 5.002 1.00 0.00 C ATOM 0 H LEU A 29 22.101 -10.142 4.489 1.00 0.00 H new ATOM 0 HA LEU A 29 20.551 -8.040 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 29 21.686 -10.766 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.328 -9.809 7.693 1.00 0.00 H new ATOM 0 HG LEU A 29 19.404 -11.264 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.713 -9.487 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.049 -9.344 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.968 -8.246 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.147 -10.358 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.402 -9.119 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.793 -10.838 4.413 1.00 0.00 H new ATOM 447 N ARG A 30 23.691 -8.177 6.605 1.00 0.00 N ATOM 448 CA ARG A 30 24.723 -7.399 7.347 1.00 0.00 C ATOM 449 C ARG A 30 24.916 -6.020 6.710 1.00 0.00 C ATOM 450 O ARG A 30 25.178 -5.046 7.387 1.00 0.00 O ATOM 451 CB ARG A 30 26.003 -8.225 7.220 1.00 0.00 C ATOM 452 CG ARG A 30 25.758 -9.643 7.738 1.00 0.00 C ATOM 453 CD ARG A 30 27.083 -10.408 7.769 1.00 0.00 C ATOM 454 NE ARG A 30 26.937 -11.386 8.881 1.00 0.00 N ATOM 455 CZ ARG A 30 27.978 -12.041 9.321 1.00 0.00 C ATOM 456 NH1 ARG A 30 29.154 -11.840 8.788 1.00 0.00 N ATOM 457 NH2 ARG A 30 27.843 -12.899 10.296 1.00 0.00 N ATOM 0 H ARG A 30 24.044 -8.978 6.082 1.00 0.00 H new ATOM 0 HA ARG A 30 24.441 -7.230 8.386 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.323 -8.259 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.808 -7.755 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.322 -9.607 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.043 -10.158 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.269 -10.913 6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.923 -9.736 7.943 1.00 0.00 H new ATOM 0 HE ARG A 30 26.021 -11.545 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 30 29.261 -11.170 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 30 29.965 -12.353 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 30 26.926 -13.057 10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 30 28.655 -13.411 10.641 1.00 0.00 H new ATOM 471 N ARG A 31 24.802 -5.933 5.412 1.00 0.00 N ATOM 472 CA ARG A 31 24.995 -4.616 4.734 1.00 0.00 C ATOM 473 C ARG A 31 23.684 -3.825 4.686 1.00 0.00 C ATOM 474 O ARG A 31 23.682 -2.629 4.471 1.00 0.00 O ATOM 475 CB ARG A 31 25.457 -4.967 3.319 1.00 0.00 C ATOM 476 CG ARG A 31 26.520 -3.963 2.866 1.00 0.00 C ATOM 477 CD ARG A 31 26.792 -4.143 1.371 1.00 0.00 C ATOM 478 NE ARG A 31 27.427 -2.865 0.940 1.00 0.00 N ATOM 479 CZ ARG A 31 28.004 -2.780 -0.229 1.00 0.00 C ATOM 480 NH1 ARG A 31 28.032 -3.814 -1.026 1.00 0.00 N ATOM 481 NH2 ARG A 31 28.558 -1.658 -0.601 1.00 0.00 N ATOM 0 H ARG A 31 24.584 -6.713 4.792 1.00 0.00 H new ATOM 0 HA ARG A 31 25.714 -3.990 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.864 -5.978 3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.610 -4.950 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.182 -2.946 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.439 -4.110 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.450 -4.992 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.870 -4.331 0.821 1.00 0.00 H new ATOM 0 HE ARG A 31 27.411 -2.055 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 31 27.602 -4.693 -0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 31 28.484 -3.743 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 31 28.540 -0.850 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.009 -1.590 -1.513 1.00 0.00 H new ATOM 495 N GLU A 32 22.568 -4.476 4.873 1.00 0.00 N ATOM 496 CA GLU A 32 21.268 -3.742 4.822 1.00 0.00 C ATOM 497 C GLU A 32 20.735 -3.473 6.232 1.00 0.00 C ATOM 498 O GLU A 32 19.958 -2.563 6.446 1.00 0.00 O ATOM 499 CB GLU A 32 20.322 -4.672 4.066 1.00 0.00 C ATOM 500 CG GLU A 32 20.418 -4.386 2.567 1.00 0.00 C ATOM 501 CD GLU A 32 21.886 -4.378 2.143 1.00 0.00 C ATOM 502 OE1 GLU A 32 22.420 -5.449 1.905 1.00 0.00 O ATOM 503 OE2 GLU A 32 22.453 -3.300 2.062 1.00 0.00 O ATOM 0 H GLU A 32 22.498 -5.477 5.058 1.00 0.00 H new ATOM 0 HA GLU A 32 21.370 -2.770 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.580 -5.712 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.298 -4.526 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.870 -5.143 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.957 -3.425 2.339 1.00 0.00 H new ATOM 510 N LEU A 33 21.138 -4.252 7.195 1.00 0.00 N ATOM 511 CA LEU A 33 20.644 -4.032 8.580 1.00 0.00 C ATOM 512 C LEU A 33 21.818 -3.915 9.551 1.00 0.00 C ATOM 513 O LEU A 33 22.933 -4.274 9.226 1.00 0.00 O ATOM 514 CB LEU A 33 19.812 -5.272 8.901 1.00 0.00 C ATOM 515 CG LEU A 33 18.327 -4.933 8.783 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.711 -5.732 7.633 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.616 -5.292 10.089 1.00 0.00 C ATOM 0 H LEU A 33 21.787 -5.031 7.083 1.00 0.00 H new ATOM 0 HA LEU A 33 20.065 -3.113 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.067 -6.081 8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.037 -5.623 9.908 1.00 0.00 H new ATOM 0 HG LEU A 33 18.213 -3.867 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.651 -5.490 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.217 -5.478 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.825 -6.798 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.557 -5.050 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.730 -6.358 10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.054 -4.724 10.910 1.00 0.00 H new ATOM 529 N PRO A 34 21.520 -3.421 10.718 1.00 0.00 N ATOM 530 CA PRO A 34 22.594 -3.277 11.735 1.00 0.00 C ATOM 531 C PRO A 34 23.233 -4.640 12.014 1.00 0.00 C ATOM 532 O PRO A 34 22.547 -5.640 12.105 1.00 0.00 O ATOM 533 CB PRO A 34 21.875 -2.749 12.977 1.00 0.00 C ATOM 534 CG PRO A 34 20.580 -2.193 12.478 1.00 0.00 C ATOM 535 CD PRO A 34 20.229 -2.950 11.230 1.00 0.00 C ATOM 0 HA PRO A 34 23.396 -2.613 11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.708 -3.545 13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.466 -1.981 13.477 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.798 -2.304 13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.673 -1.127 12.269 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.558 -3.782 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.723 -2.311 10.506 1.00 0.00 H new ATOM 543 N PRO A 35 24.531 -4.632 12.133 1.00 0.00 N ATOM 544 CA PRO A 35 25.243 -5.911 12.397 1.00 0.00 C ATOM 545 C PRO A 35 24.456 -6.765 13.396 1.00 0.00 C ATOM 546 O PRO A 35 24.359 -7.968 13.259 1.00 0.00 O ATOM 547 CB PRO A 35 26.587 -5.488 12.997 1.00 0.00 C ATOM 548 CG PRO A 35 26.703 -4.021 12.739 1.00 0.00 C ATOM 549 CD PRO A 35 25.306 -3.485 12.611 1.00 0.00 C ATOM 0 HA PRO A 35 25.362 -6.513 11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.623 -5.701 14.065 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.410 -6.033 12.535 1.00 0.00 H new ATOM 0 HG2 PRO A 35 27.232 -3.527 13.554 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.273 -3.834 11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.930 -3.119 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.260 -2.652 11.910 1.00 0.00 H new ATOM 557 N ASP A 36 23.902 -6.152 14.406 1.00 0.00 N ATOM 558 CA ASP A 36 23.129 -6.927 15.421 1.00 0.00 C ATOM 559 C ASP A 36 21.865 -7.535 14.799 1.00 0.00 C ATOM 560 O ASP A 36 21.513 -8.665 15.073 1.00 0.00 O ATOM 561 CB ASP A 36 22.758 -5.906 16.498 1.00 0.00 C ATOM 562 CG ASP A 36 22.153 -4.663 15.842 1.00 0.00 C ATOM 563 OD1 ASP A 36 20.998 -4.725 15.454 1.00 0.00 O ATOM 564 OD2 ASP A 36 22.855 -3.671 15.740 1.00 0.00 O ATOM 0 H ASP A 36 23.951 -5.147 14.573 1.00 0.00 H new ATOM 0 HA ASP A 36 23.707 -7.759 15.823 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.046 -6.343 17.198 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.642 -5.632 17.073 1.00 0.00 H new ATOM 569 N GLN A 37 21.173 -6.796 13.975 1.00 0.00 N ATOM 570 CA GLN A 37 19.928 -7.336 13.354 1.00 0.00 C ATOM 571 C GLN A 37 20.259 -8.442 12.347 1.00 0.00 C ATOM 572 O GLN A 37 19.565 -9.435 12.251 1.00 0.00 O ATOM 573 CB GLN A 37 19.292 -6.140 12.646 1.00 0.00 C ATOM 574 CG GLN A 37 18.077 -5.661 13.445 1.00 0.00 C ATOM 575 CD GLN A 37 18.542 -5.093 14.786 1.00 0.00 C ATOM 576 OE1 GLN A 37 18.806 -3.913 14.901 1.00 0.00 O ATOM 577 NE2 GLN A 37 18.655 -5.890 15.815 1.00 0.00 N ATOM 0 H GLN A 37 21.415 -5.843 13.705 1.00 0.00 H new ATOM 0 HA GLN A 37 19.262 -7.780 14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 37 20.018 -5.333 12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.990 -6.420 11.637 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.536 -4.900 12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.386 -6.488 13.608 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.433 -6.881 15.719 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.965 -5.521 16.714 1.00 0.00 H new ATOM 586 N ALA A 38 21.307 -8.276 11.589 1.00 0.00 N ATOM 587 CA ALA A 38 21.673 -9.314 10.581 1.00 0.00 C ATOM 588 C ALA A 38 21.978 -10.653 11.262 1.00 0.00 C ATOM 589 O ALA A 38 21.561 -11.699 10.804 1.00 0.00 O ATOM 590 CB ALA A 38 22.922 -8.766 9.891 1.00 0.00 C ATOM 0 H ALA A 38 21.927 -7.467 11.623 1.00 0.00 H new ATOM 0 HA ALA A 38 20.862 -9.504 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.258 -9.472 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.688 -7.811 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.712 -8.623 10.628 1.00 0.00 H new ATOM 596 N GLN A 39 22.708 -10.635 12.344 1.00 0.00 N ATOM 597 CA GLN A 39 23.042 -11.914 13.039 1.00 0.00 C ATOM 598 C GLN A 39 21.776 -12.586 13.581 1.00 0.00 C ATOM 599 O GLN A 39 21.565 -13.768 13.402 1.00 0.00 O ATOM 600 CB GLN A 39 23.968 -11.516 14.190 1.00 0.00 C ATOM 601 CG GLN A 39 24.746 -12.745 14.665 1.00 0.00 C ATOM 602 CD GLN A 39 25.496 -12.410 15.956 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.753 -11.257 16.240 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.860 -13.376 16.755 1.00 0.00 N ATOM 0 H GLN A 39 23.087 -9.793 12.777 1.00 0.00 H new ATOM 0 HA GLN A 39 23.511 -12.629 12.363 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.659 -10.739 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.386 -11.100 15.012 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.063 -13.577 14.835 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.450 -13.062 13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.644 -14.344 16.516 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.360 -13.163 17.618 1.00 0.00 H new ATOM 613 N TYR A 40 20.935 -11.844 14.249 1.00 0.00 N ATOM 614 CA TYR A 40 19.691 -12.450 14.806 1.00 0.00 C ATOM 615 C TYR A 40 18.789 -12.959 13.676 1.00 0.00 C ATOM 616 O TYR A 40 18.230 -14.035 13.753 1.00 0.00 O ATOM 617 CB TYR A 40 19.004 -11.319 15.570 1.00 0.00 C ATOM 618 CG TYR A 40 18.652 -11.794 16.960 1.00 0.00 C ATOM 619 CD1 TYR A 40 19.661 -11.965 17.916 1.00 0.00 C ATOM 620 CD2 TYR A 40 17.319 -12.064 17.292 1.00 0.00 C ATOM 621 CE1 TYR A 40 19.336 -12.407 19.205 1.00 0.00 C ATOM 622 CE2 TYR A 40 16.995 -12.506 18.581 1.00 0.00 C ATOM 623 CZ TYR A 40 18.003 -12.677 19.536 1.00 0.00 C ATOM 624 OH TYR A 40 17.683 -13.112 20.807 1.00 0.00 O ATOM 0 H TYR A 40 21.054 -10.848 14.433 1.00 0.00 H new ATOM 0 HA TYR A 40 19.905 -13.305 15.447 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.661 -10.451 15.626 1.00 0.00 H new ATOM 0 HB3 TYR A 40 18.104 -11.003 15.043 1.00 0.00 H new ATOM 0 HD1 TYR A 40 20.689 -11.756 17.660 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.541 -11.932 16.555 1.00 0.00 H new ATOM 0 HE1 TYR A 40 20.113 -12.539 19.943 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.967 -12.715 18.838 1.00 0.00 H new ATOM 0 HH TYR A 40 16.715 -13.252 20.871 1.00 0.00 H new ATOM 634 N CYS A 41 18.642 -12.193 12.630 1.00 0.00 N ATOM 635 CA CYS A 41 17.773 -12.633 11.499 1.00 0.00 C ATOM 636 C CYS A 41 18.357 -13.876 10.824 1.00 0.00 C ATOM 637 O CYS A 41 17.672 -14.855 10.604 1.00 0.00 O ATOM 638 CB CYS A 41 17.762 -11.455 10.526 1.00 0.00 C ATOM 639 SG CYS A 41 17.036 -10.007 11.337 1.00 0.00 S ATOM 0 H CYS A 41 19.085 -11.282 12.508 1.00 0.00 H new ATOM 0 HA CYS A 41 16.771 -12.899 11.835 1.00 0.00 H new ATOM 0 HB2 CYS A 41 18.777 -11.231 10.199 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.189 -11.711 9.635 1.00 0.00 H new ATOM 0 HG CYS A 41 17.964 -9.354 11.971 1.00 0.00 H new ATOM 645 N ILE A 42 19.617 -13.845 10.489 1.00 0.00 N ATOM 646 CA ILE A 42 20.237 -15.027 9.823 1.00 0.00 C ATOM 647 C ILE A 42 20.168 -16.250 10.741 1.00 0.00 C ATOM 648 O ILE A 42 20.316 -17.374 10.303 1.00 0.00 O ATOM 649 CB ILE A 42 21.689 -14.625 9.569 1.00 0.00 C ATOM 650 CG1 ILE A 42 21.740 -13.586 8.445 1.00 0.00 C ATOM 651 CG2 ILE A 42 22.498 -15.859 9.159 1.00 0.00 C ATOM 652 CD1 ILE A 42 22.990 -12.717 8.607 1.00 0.00 C ATOM 0 H ILE A 42 20.243 -13.056 10.646 1.00 0.00 H new ATOM 0 HA ILE A 42 19.723 -15.296 8.900 1.00 0.00 H new ATOM 0 HB ILE A 42 22.112 -14.200 10.479 1.00 0.00 H new ATOM 0 HG12 ILE A 42 21.754 -14.084 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.846 -12.963 8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 42 23.534 -15.571 8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 42 22.461 -16.600 9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 42 22.075 -16.285 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.026 -11.978 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 42 22.957 -12.208 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 42 23.879 -13.346 8.560 1.00 0.00 H new ATOM 664 N LYS A 43 19.944 -16.045 12.011 1.00 0.00 N ATOM 665 CA LYS A 43 19.868 -17.201 12.947 1.00 0.00 C ATOM 666 C LYS A 43 18.454 -17.794 12.946 1.00 0.00 C ATOM 667 O LYS A 43 18.245 -18.923 13.340 1.00 0.00 O ATOM 668 CB LYS A 43 20.213 -16.623 14.318 1.00 0.00 C ATOM 669 CG LYS A 43 21.374 -17.413 14.925 1.00 0.00 C ATOM 670 CD LYS A 43 21.065 -17.742 16.386 1.00 0.00 C ATOM 671 CE LYS A 43 22.215 -18.562 16.977 1.00 0.00 C ATOM 672 NZ LYS A 43 22.263 -18.176 18.415 1.00 0.00 N ATOM 0 H LYS A 43 19.811 -15.129 12.439 1.00 0.00 H new ATOM 0 HA LYS A 43 20.545 -18.007 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.484 -15.571 14.224 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.344 -16.671 14.974 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.535 -18.332 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 43 22.295 -16.833 14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.929 -16.823 16.956 1.00 0.00 H new ATOM 0 HD3 LYS A 43 20.132 -18.301 16.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.038 -19.631 16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.157 -18.339 16.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 23.028 -18.697 18.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 22.439 -17.154 18.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 21.355 -18.407 18.867 1.00 0.00 H new ATOM 686 N ARG A 44 17.482 -17.041 12.504 1.00 0.00 N ATOM 687 CA ARG A 44 16.085 -17.569 12.478 1.00 0.00 C ATOM 688 C ARG A 44 15.816 -18.280 11.149 1.00 0.00 C ATOM 689 O ARG A 44 15.679 -19.486 11.095 1.00 0.00 O ATOM 690 CB ARG A 44 15.187 -16.338 12.616 1.00 0.00 C ATOM 691 CG ARG A 44 15.365 -15.728 14.007 1.00 0.00 C ATOM 692 CD ARG A 44 14.512 -16.497 15.018 1.00 0.00 C ATOM 693 NE ARG A 44 15.385 -16.651 16.213 1.00 0.00 N ATOM 694 CZ ARG A 44 15.620 -15.628 16.990 1.00 0.00 C ATOM 695 NH1 ARG A 44 15.070 -14.471 16.738 1.00 0.00 N ATOM 696 NH2 ARG A 44 16.404 -15.765 18.024 1.00 0.00 N ATOM 0 H ARG A 44 17.593 -16.087 12.161 1.00 0.00 H new ATOM 0 HA ARG A 44 15.905 -18.293 13.272 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.439 -15.604 11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.145 -16.616 12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.414 -15.764 14.299 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.074 -14.678 13.995 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.600 -15.952 15.262 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.208 -17.466 14.623 1.00 0.00 H new ATOM 0 HE ARG A 44 15.801 -17.558 16.426 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.454 -14.364 15.932 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.256 -13.674 17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.831 -16.669 18.224 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.589 -14.968 18.633 1.00 0.00 H new ATOM 710 N MET A 45 15.739 -17.540 10.074 1.00 0.00 N ATOM 711 CA MET A 45 15.480 -18.171 8.752 1.00 0.00 C ATOM 712 C MET A 45 16.366 -19.407 8.572 1.00 0.00 C ATOM 713 O MET A 45 17.543 -19.376 8.871 1.00 0.00 O ATOM 714 CB MET A 45 15.845 -17.093 7.732 1.00 0.00 C ATOM 715 CG MET A 45 17.265 -16.594 8.002 1.00 0.00 C ATOM 716 SD MET A 45 17.686 -15.297 6.812 1.00 0.00 S ATOM 717 CE MET A 45 16.232 -14.254 7.084 1.00 0.00 C ATOM 0 H MET A 45 15.845 -16.526 10.057 1.00 0.00 H new ATOM 0 HA MET A 45 14.449 -18.506 8.644 1.00 0.00 H new ATOM 0 HB2 MET A 45 15.776 -17.495 6.721 1.00 0.00 H new ATOM 0 HB3 MET A 45 15.139 -16.265 7.794 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.339 -16.207 9.018 1.00 0.00 H new ATOM 0 HG3 MET A 45 17.973 -17.419 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.509 -13.206 6.969 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.461 -14.508 6.356 1.00 0.00 H new ATOM 0 HE3 MET A 45 15.849 -14.419 8.091 1.00 0.00 H new ATOM 727 N PRO A 46 15.764 -20.459 8.089 1.00 0.00 N ATOM 728 CA PRO A 46 16.545 -21.708 7.883 1.00 0.00 C ATOM 729 C PRO A 46 17.248 -21.677 6.523 1.00 0.00 C ATOM 730 O PRO A 46 17.656 -20.637 6.047 1.00 0.00 O ATOM 731 CB PRO A 46 15.503 -22.827 7.926 1.00 0.00 C ATOM 732 CG PRO A 46 14.287 -22.218 8.546 1.00 0.00 C ATOM 733 CD PRO A 46 14.335 -20.744 8.258 1.00 0.00 C ATOM 0 HA PRO A 46 17.323 -21.842 8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.288 -23.201 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.860 -23.673 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.381 -22.662 8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.270 -22.400 9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.770 -20.495 7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 46 13.907 -20.164 9.075 1.00 0.00 H new ATOM 859 N ALA A 57 22.211 -19.091 1.019 1.00 0.00 N ATOM 860 CA ALA A 57 20.812 -18.708 0.674 1.00 0.00 C ATOM 861 C ALA A 57 19.880 -19.004 1.852 1.00 0.00 C ATOM 862 O ALA A 57 19.714 -20.139 2.253 1.00 0.00 O ATOM 863 CB ALA A 57 20.449 -19.577 -0.530 1.00 0.00 C ATOM 0 HA ALA A 57 20.716 -17.645 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.430 -19.354 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 57 21.137 -19.369 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.521 -20.629 -0.254 1.00 0.00 H new ATOM 869 N LEU A 58 19.274 -17.994 2.412 1.00 0.00 N ATOM 870 CA LEU A 58 18.358 -18.222 3.565 1.00 0.00 C ATOM 871 C LEU A 58 16.943 -17.749 3.222 1.00 0.00 C ATOM 872 O LEU A 58 16.744 -16.958 2.321 1.00 0.00 O ATOM 873 CB LEU A 58 18.940 -17.385 4.705 1.00 0.00 C ATOM 874 CG LEU A 58 20.293 -17.961 5.122 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.334 -16.840 5.168 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.168 -18.597 6.508 1.00 0.00 C ATOM 0 H LEU A 58 19.373 -17.021 2.122 1.00 0.00 H new ATOM 0 HA LEU A 58 18.284 -19.277 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.056 -16.349 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.257 -17.383 5.554 1.00 0.00 H new ATOM 0 HG LEU A 58 20.605 -18.716 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.299 -17.251 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.422 -16.385 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 21.024 -16.085 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.132 -19.009 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.856 -17.841 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.427 -19.395 6.476 1.00 0.00 H new ATOM 888 N ASP A 59 15.960 -18.226 3.934 1.00 0.00 N ATOM 889 CA ASP A 59 14.560 -17.804 3.651 1.00 0.00 C ATOM 890 C ASP A 59 14.001 -17.011 4.836 1.00 0.00 C ATOM 891 O ASP A 59 13.811 -17.538 5.913 1.00 0.00 O ATOM 892 CB ASP A 59 13.783 -19.106 3.462 1.00 0.00 C ATOM 893 CG ASP A 59 13.656 -19.413 1.968 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.462 -18.905 1.208 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.753 -20.153 1.611 1.00 0.00 O ATOM 0 H ASP A 59 16.066 -18.891 4.700 1.00 0.00 H new ATOM 0 HA ASP A 59 14.491 -17.160 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.294 -19.924 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.794 -19.020 3.912 1.00 0.00 H new ATOM 900 N TYR A 60 13.738 -15.747 4.645 1.00 0.00 N ATOM 901 CA TYR A 60 13.194 -14.924 5.763 1.00 0.00 C ATOM 902 C TYR A 60 11.702 -15.208 5.951 1.00 0.00 C ATOM 903 O TYR A 60 11.145 -14.980 7.005 1.00 0.00 O ATOM 904 CB TYR A 60 13.416 -13.473 5.333 1.00 0.00 C ATOM 905 CG TYR A 60 12.844 -13.261 3.952 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.460 -13.141 3.778 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.698 -13.180 2.845 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.929 -12.943 2.498 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.167 -12.982 1.564 1.00 0.00 C ATOM 910 CZ TYR A 60 11.784 -12.864 1.391 1.00 0.00 C ATOM 911 OH TYR A 60 11.260 -12.668 0.128 1.00 0.00 O ATOM 0 H TYR A 60 13.876 -15.249 3.765 1.00 0.00 H new ATOM 0 HA TYR A 60 13.680 -15.145 6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.940 -12.796 6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.481 -13.241 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.802 -13.201 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.766 -13.270 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.861 -12.851 2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.825 -12.920 0.710 1.00 0.00 H new ATOM 0 HH TYR A 60 11.948 -12.857 -0.544 1.00 0.00 H new ATOM 921 N ALA A 61 11.051 -15.706 4.935 1.00 0.00 N ATOM 922 CA ALA A 61 9.597 -16.006 5.060 1.00 0.00 C ATOM 923 C ALA A 61 9.359 -16.958 6.235 1.00 0.00 C ATOM 924 O ALA A 61 8.377 -16.854 6.943 1.00 0.00 O ATOM 925 CB ALA A 61 9.213 -16.675 3.741 1.00 0.00 C ATOM 0 H ALA A 61 11.462 -15.918 4.026 1.00 0.00 H new ATOM 0 HA ALA A 61 9.004 -15.111 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.153 -16.927 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.412 -15.992 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.800 -17.584 3.610 1.00 0.00 H new ATOM 931 N ALA A 62 10.254 -17.882 6.450 1.00 0.00 N ATOM 932 CA ALA A 62 10.079 -18.836 7.583 1.00 0.00 C ATOM 933 C ALA A 62 10.221 -18.096 8.911 1.00 0.00 C ATOM 934 O ALA A 62 9.562 -18.402 9.884 1.00 0.00 O ATOM 935 CB ALA A 62 11.197 -19.867 7.415 1.00 0.00 C ATOM 0 H ALA A 62 11.097 -18.018 5.892 1.00 0.00 H new ATOM 0 HA ALA A 62 9.096 -19.307 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.134 -20.605 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.090 -20.365 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.164 -19.366 7.459 1.00 0.00 H new ATOM 941 N PHE A 63 11.074 -17.119 8.948 1.00 0.00 N ATOM 942 CA PHE A 63 11.271 -16.335 10.201 1.00 0.00 C ATOM 943 C PHE A 63 10.055 -15.439 10.453 1.00 0.00 C ATOM 944 O PHE A 63 9.723 -15.127 11.579 1.00 0.00 O ATOM 945 CB PHE A 63 12.522 -15.494 9.949 1.00 0.00 C ATOM 946 CG PHE A 63 12.771 -14.583 11.129 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.312 -14.942 12.403 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.463 -13.380 10.949 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.547 -14.096 13.495 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.697 -12.535 12.040 1.00 0.00 C ATOM 951 CZ PHE A 63 13.239 -12.893 13.313 1.00 0.00 C ATOM 0 H PHE A 63 11.650 -16.824 8.160 1.00 0.00 H new ATOM 0 HA PHE A 63 11.383 -16.971 11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.383 -16.144 9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.398 -14.903 9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.778 -15.870 12.543 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.817 -13.103 9.967 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.194 -14.372 14.478 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.231 -11.607 11.899 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.419 -12.241 14.155 1.00 0.00 H new ATOM 961 N SER A 64 9.389 -15.025 9.409 1.00 0.00 N ATOM 962 CA SER A 64 8.193 -14.150 9.582 1.00 0.00 C ATOM 963 C SER A 64 7.081 -14.915 10.305 1.00 0.00 C ATOM 964 O SER A 64 6.475 -14.419 11.233 1.00 0.00 O ATOM 965 CB SER A 64 7.761 -13.787 8.163 1.00 0.00 C ATOM 966 OG SER A 64 6.901 -14.800 7.660 1.00 0.00 O ATOM 0 H SER A 64 9.621 -15.255 8.443 1.00 0.00 H new ATOM 0 HA SER A 64 8.410 -13.265 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.248 -12.825 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.635 -13.683 7.520 1.00 0.00 H new ATOM 0 HG SER A 64 7.410 -15.403 7.079 1.00 0.00 H new ATOM 972 N SER A 65 6.811 -16.121 9.885 1.00 0.00 N ATOM 973 CA SER A 65 5.741 -16.918 10.550 1.00 0.00 C ATOM 974 C SER A 65 6.153 -17.252 11.986 1.00 0.00 C ATOM 975 O SER A 65 5.368 -17.148 12.908 1.00 0.00 O ATOM 976 CB SER A 65 5.619 -18.193 9.717 1.00 0.00 C ATOM 977 OG SER A 65 5.314 -17.847 8.372 1.00 0.00 O ATOM 0 H SER A 65 7.284 -16.588 9.112 1.00 0.00 H new ATOM 0 HA SER A 65 4.796 -16.378 10.605 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.550 -18.758 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.839 -18.835 10.126 1.00 0.00 H new ATOM 0 HG SER A 65 5.237 -18.662 7.834 1.00 0.00 H new ATOM 983 N ALA A 66 7.380 -17.651 12.181 1.00 0.00 N ATOM 984 CA ALA A 66 7.846 -17.990 13.556 1.00 0.00 C ATOM 985 C ALA A 66 7.833 -16.741 14.440 1.00 0.00 C ATOM 986 O ALA A 66 7.610 -16.814 15.632 1.00 0.00 O ATOM 987 CB ALA A 66 9.274 -18.504 13.374 1.00 0.00 C ATOM 0 H ALA A 66 8.081 -17.757 11.447 1.00 0.00 H new ATOM 0 HA ALA A 66 7.206 -18.728 14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.689 -18.776 14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.266 -19.380 12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.887 -17.724 12.923 1.00 0.00 H new ATOM 993 N LEU A 67 8.074 -15.594 13.866 1.00 0.00 N ATOM 994 CA LEU A 67 8.076 -14.342 14.674 1.00 0.00 C ATOM 995 C LEU A 67 6.685 -14.088 15.261 1.00 0.00 C ATOM 996 O LEU A 67 6.544 -13.689 16.399 1.00 0.00 O ATOM 997 CB LEU A 67 8.451 -13.234 13.688 1.00 0.00 C ATOM 998 CG LEU A 67 9.620 -12.423 14.250 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.000 -11.320 13.261 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.207 -11.790 15.582 1.00 0.00 C ATOM 0 H LEU A 67 8.270 -15.470 12.873 1.00 0.00 H new ATOM 0 HA LEU A 67 8.770 -14.394 15.513 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.724 -13.667 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.594 -12.583 13.513 1.00 0.00 H new ATOM 0 HG LEU A 67 10.475 -13.081 14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.833 -10.743 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.293 -11.768 12.311 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.145 -10.662 13.103 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.039 -11.212 15.984 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.352 -11.133 15.423 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.936 -12.574 16.289 1.00 0.00 H new ATOM 1012 N TYR A 68 5.657 -14.317 14.491 1.00 0.00 N ATOM 1013 CA TYR A 68 4.277 -14.090 15.002 1.00 0.00 C ATOM 1014 C TYR A 68 3.667 -15.406 15.492 1.00 0.00 C ATOM 1015 O TYR A 68 2.615 -15.428 16.097 1.00 0.00 O ATOM 1016 CB TYR A 68 3.501 -13.551 13.801 1.00 0.00 C ATOM 1017 CG TYR A 68 3.846 -12.097 13.592 1.00 0.00 C ATOM 1018 CD1 TYR A 68 5.089 -11.744 13.053 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.924 -11.102 13.936 1.00 0.00 C ATOM 1020 CE1 TYR A 68 5.411 -10.395 12.860 1.00 0.00 C ATOM 1021 CE2 TYR A 68 3.246 -9.752 13.742 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.489 -9.400 13.204 1.00 0.00 C ATOM 1023 OH TYR A 68 4.807 -8.070 13.013 1.00 0.00 O ATOM 0 H TYR A 68 5.714 -14.652 13.529 1.00 0.00 H new ATOM 0 HA TYR A 68 4.256 -13.402 15.847 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.746 -14.126 12.908 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.429 -13.662 13.967 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.800 -12.512 12.786 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.965 -11.374 14.351 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.370 -10.123 12.446 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.535 -8.984 14.008 1.00 0.00 H new ATOM 0 HH TYR A 68 5.419 -7.986 12.252 1.00 0.00 H new ATOM 1105 N LYS B 8 12.776 3.600 -0.510 1.00 0.00 N ATOM 1106 CA LYS B 8 12.071 2.289 -0.586 1.00 0.00 C ATOM 1107 C LYS B 8 12.800 1.244 0.263 1.00 0.00 C ATOM 1108 O LYS B 8 12.210 0.593 1.103 1.00 0.00 O ATOM 1109 CB LYS B 8 12.114 1.904 -2.066 1.00 0.00 C ATOM 1110 CG LYS B 8 10.918 2.521 -2.790 1.00 0.00 C ATOM 1111 CD LYS B 8 9.716 1.580 -2.689 1.00 0.00 C ATOM 1112 CE LYS B 8 8.669 1.968 -3.735 1.00 0.00 C ATOM 1113 NZ LYS B 8 8.156 0.673 -4.264 1.00 0.00 N ATOM 0 HA LYS B 8 11.050 2.346 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS B 8 13.044 2.252 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.096 0.819 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.673 3.488 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.166 2.700 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.035 0.549 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.283 1.633 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS B 8 7.868 2.559 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS B 8 9.109 2.572 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 7.432 0.856 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 8.940 0.136 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 7.737 0.122 -3.487 1.00 0.00 H new ATOM 1127 N LYS B 9 14.076 1.080 0.053 1.00 0.00 N ATOM 1128 CA LYS B 9 14.840 0.076 0.850 1.00 0.00 C ATOM 1129 C LYS B 9 14.840 0.465 2.330 1.00 0.00 C ATOM 1130 O LYS B 9 14.833 -0.381 3.203 1.00 0.00 O ATOM 1131 CB LYS B 9 16.260 0.118 0.284 1.00 0.00 C ATOM 1132 CG LYS B 9 16.796 -1.308 0.147 1.00 0.00 C ATOM 1133 CD LYS B 9 18.325 -1.279 0.116 1.00 0.00 C ATOM 1134 CE LYS B 9 18.829 -2.133 -1.049 1.00 0.00 C ATOM 1135 NZ LYS B 9 20.315 -2.081 -0.950 1.00 0.00 N ATOM 0 H LYS B 9 14.624 1.596 -0.635 1.00 0.00 H new ATOM 0 HA LYS B 9 14.405 -0.921 0.784 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.262 0.613 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.907 0.700 0.940 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.450 -1.919 0.981 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.412 -1.766 -0.765 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.678 -0.253 0.008 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.725 -1.656 1.057 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.464 -3.157 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.483 -1.740 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.734 -2.645 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.634 -1.094 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.616 -2.468 -0.033 1.00 0.00 H new ATOM 1149 N ALA B 10 14.849 1.737 2.620 1.00 0.00 N ATOM 1150 CA ALA B 10 14.850 2.176 4.045 1.00 0.00 C ATOM 1151 C ALA B 10 13.570 1.707 4.742 1.00 0.00 C ATOM 1152 O ALA B 10 13.599 1.238 5.863 1.00 0.00 O ATOM 1153 CB ALA B 10 14.903 3.702 3.989 1.00 0.00 C ATOM 0 H ALA B 10 14.856 2.491 1.933 1.00 0.00 H new ATOM 0 HA ALA B 10 15.687 1.761 4.606 1.00 0.00 H new ATOM 0 HB1 ALA B 10 14.907 4.103 5.002 1.00 0.00 H new ATOM 0 HB2 ALA B 10 15.809 4.016 3.471 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.031 4.077 3.454 1.00 0.00 H new ATOM 1159 N GLU B 11 12.448 1.828 4.089 1.00 0.00 N ATOM 1160 CA GLU B 11 11.170 1.387 4.717 1.00 0.00 C ATOM 1161 C GLU B 11 11.224 -0.112 5.022 1.00 0.00 C ATOM 1162 O GLU B 11 10.779 -0.561 6.059 1.00 0.00 O ATOM 1163 CB GLU B 11 10.091 1.684 3.675 1.00 0.00 C ATOM 1164 CG GLU B 11 9.599 3.123 3.843 1.00 0.00 C ATOM 1165 CD GLU B 11 8.367 3.349 2.965 1.00 0.00 C ATOM 1166 OE1 GLU B 11 7.943 2.403 2.321 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.870 4.462 2.950 1.00 0.00 O ATOM 0 H GLU B 11 12.360 2.213 3.148 1.00 0.00 H new ATOM 0 HA GLU B 11 10.975 1.898 5.660 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.491 1.540 2.671 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.259 0.989 3.789 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.354 3.315 4.888 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.388 3.823 3.567 1.00 0.00 H new ATOM 1174 N ALA B 12 11.768 -0.889 4.125 1.00 0.00 N ATOM 1175 CA ALA B 12 11.854 -2.358 4.364 1.00 0.00 C ATOM 1176 C ALA B 12 12.745 -2.645 5.576 1.00 0.00 C ATOM 1177 O ALA B 12 12.410 -3.444 6.428 1.00 0.00 O ATOM 1178 CB ALA B 12 12.478 -2.930 3.091 1.00 0.00 C ATOM 0 H ALA B 12 12.156 -0.570 3.237 1.00 0.00 H new ATOM 0 HA ALA B 12 10.880 -2.801 4.575 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.576 -4.011 3.188 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.841 -2.698 2.238 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.463 -2.489 2.939 1.00 0.00 H new ATOM 1184 N VAL B 13 13.876 -2.000 5.659 1.00 0.00 N ATOM 1185 CA VAL B 13 14.785 -2.238 6.817 1.00 0.00 C ATOM 1186 C VAL B 13 14.082 -1.868 8.126 1.00 0.00 C ATOM 1187 O VAL B 13 14.177 -2.571 9.113 1.00 0.00 O ATOM 1188 CB VAL B 13 15.986 -1.322 6.576 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.916 -1.370 7.790 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.746 -1.793 5.334 1.00 0.00 C ATOM 0 H VAL B 13 14.210 -1.319 4.977 1.00 0.00 H new ATOM 0 HA VAL B 13 15.081 -3.284 6.900 1.00 0.00 H new ATOM 0 HB VAL B 13 15.638 -0.300 6.424 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.772 -0.717 7.619 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.376 -1.035 8.676 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.264 -2.392 7.942 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.602 -1.140 5.162 1.00 0.00 H new ATOM 0 HG22 VAL B 13 17.094 -2.815 5.486 1.00 0.00 H new ATOM 0 HG23 VAL B 13 16.085 -1.760 4.468 1.00 0.00 H new ATOM 1200 N ALA B 14 13.376 -0.770 8.142 1.00 0.00 N ATOM 1201 CA ALA B 14 12.667 -0.358 9.388 1.00 0.00 C ATOM 1202 C ALA B 14 11.679 -1.446 9.818 1.00 0.00 C ATOM 1203 O ALA B 14 11.519 -1.725 10.990 1.00 0.00 O ATOM 1204 CB ALA B 14 11.925 0.926 9.017 1.00 0.00 C ATOM 0 H ALA B 14 13.259 -0.141 7.348 1.00 0.00 H new ATOM 0 HA ALA B 14 13.352 -0.204 10.222 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.377 1.293 9.885 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.642 1.681 8.695 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.226 0.721 8.206 1.00 0.00 H new ATOM 1210 N THR B 15 11.016 -2.063 8.878 1.00 0.00 N ATOM 1211 CA THR B 15 10.041 -3.134 9.234 1.00 0.00 C ATOM 1212 C THR B 15 10.777 -4.338 9.831 1.00 0.00 C ATOM 1213 O THR B 15 10.309 -4.966 10.759 1.00 0.00 O ATOM 1214 CB THR B 15 9.370 -3.514 7.913 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.790 -2.358 7.329 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.283 -4.557 8.174 1.00 0.00 C ATOM 0 H THR B 15 11.107 -1.872 7.880 1.00 0.00 H new ATOM 0 HA THR B 15 9.315 -2.804 9.978 1.00 0.00 H new ATOM 0 HB THR B 15 10.114 -3.930 7.233 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.475 -1.863 6.834 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.805 -4.828 7.233 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.730 -5.444 8.622 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.538 -4.144 8.854 1.00 0.00 H new ATOM 1224 N VAL B 16 11.927 -4.661 9.304 1.00 0.00 N ATOM 1225 CA VAL B 16 12.694 -5.822 9.840 1.00 0.00 C ATOM 1226 C VAL B 16 13.239 -5.497 11.234 1.00 0.00 C ATOM 1227 O VAL B 16 13.131 -6.284 12.153 1.00 0.00 O ATOM 1228 CB VAL B 16 13.841 -6.028 8.849 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.788 -7.106 9.379 1.00 0.00 C ATOM 1230 CG2 VAL B 16 13.274 -6.469 7.498 1.00 0.00 C ATOM 0 H VAL B 16 12.368 -4.171 8.526 1.00 0.00 H new ATOM 0 HA VAL B 16 12.077 -6.715 9.941 1.00 0.00 H new ATOM 0 HB VAL B 16 14.387 -5.093 8.728 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.605 -7.252 8.672 1.00 0.00 H new ATOM 0 HG12 VAL B 16 15.193 -6.794 10.342 1.00 0.00 H new ATOM 0 HG13 VAL B 16 14.242 -8.042 9.501 1.00 0.00 H new ATOM 0 HG21 VAL B 16 14.091 -6.616 6.791 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.727 -7.404 7.621 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.599 -5.701 7.118 1.00 0.00 H new ATOM 1240 N VAL B 17 13.823 -4.340 11.397 1.00 0.00 N ATOM 1241 CA VAL B 17 14.372 -3.963 12.731 1.00 0.00 C ATOM 1242 C VAL B 17 13.261 -3.991 13.784 1.00 0.00 C ATOM 1243 O VAL B 17 13.426 -4.531 14.860 1.00 0.00 O ATOM 1244 CB VAL B 17 14.906 -2.542 12.552 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.375 -1.997 13.903 1.00 0.00 C ATOM 1246 CG2 VAL B 17 16.085 -2.561 11.575 1.00 0.00 C ATOM 0 H VAL B 17 13.943 -3.640 10.665 1.00 0.00 H new ATOM 0 HA VAL B 17 15.148 -4.650 13.069 1.00 0.00 H new ATOM 0 HB VAL B 17 14.115 -1.904 12.158 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.756 -0.984 13.774 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.538 -1.984 14.601 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.166 -2.634 14.298 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.467 -1.548 11.446 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.875 -3.199 11.971 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.753 -2.949 10.612 1.00 0.00 H new ATOM 1256 N ALA B 18 12.130 -3.414 13.482 1.00 0.00 N ATOM 1257 CA ALA B 18 11.011 -3.411 14.467 1.00 0.00 C ATOM 1258 C ALA B 18 10.566 -4.846 14.761 1.00 0.00 C ATOM 1259 O ALA B 18 10.335 -5.215 15.895 1.00 0.00 O ATOM 1260 CB ALA B 18 9.887 -2.630 13.786 1.00 0.00 C ATOM 0 H ALA B 18 11.932 -2.945 12.598 1.00 0.00 H new ATOM 0 HA ALA B 18 11.298 -2.965 15.419 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.023 -2.583 14.449 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.229 -1.619 13.563 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.606 -3.130 12.859 1.00 0.00 H new ATOM 1266 N ALA B 19 10.444 -5.657 13.747 1.00 0.00 N ATOM 1267 CA ALA B 19 10.015 -7.068 13.969 1.00 0.00 C ATOM 1268 C ALA B 19 11.073 -7.820 14.780 1.00 0.00 C ATOM 1269 O ALA B 19 10.762 -8.527 15.717 1.00 0.00 O ATOM 1270 CB ALA B 19 9.884 -7.668 12.568 1.00 0.00 C ATOM 0 H ALA B 19 10.622 -5.405 12.775 1.00 0.00 H new ATOM 0 HA ALA B 19 9.082 -7.133 14.528 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.570 -8.709 12.646 1.00 0.00 H new ATOM 0 HB2 ALA B 19 9.142 -7.107 12.000 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.846 -7.616 12.059 1.00 0.00 H new ATOM 1276 N VAL B 20 12.321 -7.671 14.427 1.00 0.00 N ATOM 1277 CA VAL B 20 13.396 -8.378 15.182 1.00 0.00 C ATOM 1278 C VAL B 20 13.370 -7.959 16.654 1.00 0.00 C ATOM 1279 O VAL B 20 13.456 -8.780 17.545 1.00 0.00 O ATOM 1280 CB VAL B 20 14.700 -7.936 14.520 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.873 -8.686 15.154 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.644 -8.252 13.024 1.00 0.00 C ATOM 0 H VAL B 20 12.642 -7.092 13.651 1.00 0.00 H new ATOM 0 HA VAL B 20 13.275 -9.461 15.159 1.00 0.00 H new ATOM 0 HB VAL B 20 14.834 -6.864 14.661 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.804 -8.371 14.682 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.913 -8.464 16.220 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.739 -9.758 15.012 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.574 -7.937 12.551 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.510 -9.325 12.883 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.808 -7.720 12.571 1.00 0.00 H new ATOM 1292 N ASP B 21 13.251 -6.686 16.915 1.00 0.00 N ATOM 1293 CA ASP B 21 13.217 -6.215 18.330 1.00 0.00 C ATOM 1294 C ASP B 21 12.026 -6.833 19.065 1.00 0.00 C ATOM 1295 O ASP B 21 12.084 -7.101 20.250 1.00 0.00 O ATOM 1296 CB ASP B 21 13.063 -4.698 18.236 1.00 0.00 C ATOM 1297 CG ASP B 21 13.334 -4.073 19.605 1.00 0.00 C ATOM 1298 OD1 ASP B 21 12.424 -4.055 20.418 1.00 0.00 O ATOM 1299 OD2 ASP B 21 14.448 -3.622 19.818 1.00 0.00 O ATOM 0 H ASP B 21 13.176 -5.952 16.211 1.00 0.00 H new ATOM 0 HA ASP B 21 14.112 -6.500 18.883 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.756 -4.296 17.497 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.057 -4.444 17.901 1.00 0.00 H new ATOM 1304 N GLN B 22 10.944 -7.060 18.373 1.00 0.00 N ATOM 1305 CA GLN B 22 9.744 -7.658 19.028 1.00 0.00 C ATOM 1306 C GLN B 22 10.032 -9.099 19.461 1.00 0.00 C ATOM 1307 O GLN B 22 9.628 -9.530 20.523 1.00 0.00 O ATOM 1308 CB GLN B 22 8.657 -7.632 17.952 1.00 0.00 C ATOM 1309 CG GLN B 22 7.282 -7.533 18.615 1.00 0.00 C ATOM 1310 CD GLN B 22 7.019 -6.085 19.032 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.855 -5.457 19.649 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.882 -5.525 18.719 1.00 0.00 N ATOM 0 H GLN B 22 10.838 -6.857 17.379 1.00 0.00 H new ATOM 0 HA GLN B 22 9.450 -7.113 19.925 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.812 -6.784 17.284 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.714 -8.533 17.341 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.509 -7.870 17.925 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.239 -8.187 19.486 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.179 -6.052 18.201 1.00 0.00 H new ATOM 0 HE22 GLN B 22 5.696 -4.560 18.993 1.00 0.00 H new ATOM 1321 N ALA B 23 10.716 -9.849 18.643 1.00 0.00 N ATOM 1322 CA ALA B 23 11.019 -11.265 19.001 1.00 0.00 C ATOM 1323 C ALA B 23 11.955 -11.336 20.213 1.00 0.00 C ATOM 1324 O ALA B 23 11.771 -12.146 21.100 1.00 0.00 O ATOM 1325 CB ALA B 23 11.703 -11.846 17.762 1.00 0.00 C ATOM 0 H ALA B 23 11.079 -9.543 17.740 1.00 0.00 H new ATOM 0 HA ALA B 23 10.119 -11.816 19.274 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.960 -12.890 17.944 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.027 -11.782 16.909 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.611 -11.281 17.549 1.00 0.00 H new ATOM 1331 N ARG B 24 12.961 -10.505 20.258 1.00 0.00 N ATOM 1332 CA ARG B 24 13.903 -10.548 21.415 1.00 0.00 C ATOM 1333 C ARG B 24 13.219 -10.044 22.692 1.00 0.00 C ATOM 1334 O ARG B 24 13.528 -10.481 23.783 1.00 0.00 O ATOM 1335 CB ARG B 24 15.083 -9.651 21.024 1.00 0.00 C ATOM 1336 CG ARG B 24 14.620 -8.203 20.835 1.00 0.00 C ATOM 1337 CD ARG B 24 15.723 -7.256 21.314 1.00 0.00 C ATOM 1338 NE ARG B 24 16.785 -7.349 20.273 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.028 -7.071 20.571 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.350 -6.694 21.779 1.00 0.00 N ATOM 1341 NH2 ARG B 24 18.953 -7.166 19.654 1.00 0.00 N ATOM 0 H ARG B 24 13.171 -9.802 19.549 1.00 0.00 H new ATOM 0 HA ARG B 24 14.234 -11.564 21.628 1.00 0.00 H new ATOM 0 HB2 ARG B 24 15.852 -9.695 21.796 1.00 0.00 H new ATOM 0 HB3 ARG B 24 15.535 -10.017 20.102 1.00 0.00 H new ATOM 0 HG2 ARG B 24 14.393 -8.015 19.786 1.00 0.00 H new ATOM 0 HG3 ARG B 24 13.703 -8.026 21.396 1.00 0.00 H new ATOM 0 HD2 ARG B 24 15.353 -6.235 21.411 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.101 -7.552 22.292 1.00 0.00 H new ATOM 0 HE ARG B 24 16.542 -7.631 19.323 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.630 -6.615 22.497 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.321 -6.479 22.004 1.00 0.00 H new ATOM 0 HH21 ARG B 24 18.705 -7.456 18.708 1.00 0.00 H new ATOM 0 HH22 ARG B 24 19.923 -6.950 19.884 1.00 0.00 H new