USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 626 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 74 LYS NZ :NH3+ -162:sc= -0.0189 (180deg=-0.376) USER MOD Set 1.2: A 78 THR OG1 : rot 97:sc= 1.05 USER MOD Set 2.1: A 61 HIS : no HD1:sc= -3.26! C(o=-6.8!,f=-9!) USER MOD Set 2.2: A 63 THR OG1 : rot 59:sc= -3.57! USER MOD Set 3.1: A 51 ASN : amide:sc= -7.38! C(o=-11!,f=-14!) USER MOD Set 3.2: A 55 ASN : amide:sc= -3.3! C(o=-11!,f=-11!) USER MOD Set 4.1: A 36 HIS : no HD1:sc= 0 X(o=-0.17,f=-0.18) USER MOD Set 4.2: A 37 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.0131 (180deg=-0.29) USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= -0.016 (180deg=-0.322) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 26 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.4!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.781 F(o=-2.5!,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 126:sc= 0.283 (180deg=0.000479) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.132 USER MOD Single : A 67 ASN : amide:sc= -4.23! C(o=-4.2!,f=-5.5!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 72 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.1!) USER MOD Single : A 76 GLN : amide:sc= -5.52! C(o=-5.5!,f=-12!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -6.682 0.603 20.621 1.00 0.00 N ATOM 45 CA ILE A 4 -7.548 -0.349 19.925 1.00 0.00 C ATOM 46 C ILE A 4 -7.596 -0.044 18.433 1.00 0.00 C ATOM 47 O ILE A 4 -7.722 1.112 18.028 1.00 0.00 O ATOM 48 CB ILE A 4 -8.955 -0.298 20.503 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.884 -0.301 22.035 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.758 -1.512 20.027 1.00 0.00 C ATOM 51 CD1 ILE A 4 -8.029 -1.478 22.520 1.00 0.00 C ATOM 0 HA ILE A 4 -7.136 -1.349 20.065 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.446 0.614 20.164 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.458 0.638 22.389 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.888 -0.374 22.453 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.764 -1.469 20.444 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.816 -1.506 18.939 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.266 -2.426 20.359 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.985 -1.471 23.609 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.473 -2.414 22.181 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.021 -1.387 22.115 1.00 0.00 H new ATOM 63 N PHE A 5 -7.486 -1.089 17.620 1.00 0.00 N ATOM 64 CA PHE A 5 -7.508 -0.918 16.173 1.00 0.00 C ATOM 65 C PHE A 5 -8.831 -0.309 15.733 1.00 0.00 C ATOM 66 O PHE A 5 -9.892 -0.681 16.233 1.00 0.00 O ATOM 67 CB PHE A 5 -7.311 -2.269 15.481 1.00 0.00 C ATOM 68 CG PHE A 5 -5.896 -2.756 15.707 1.00 0.00 C ATOM 69 CD1 PHE A 5 -4.815 -2.035 15.181 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.660 -3.925 16.444 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.506 -2.481 15.388 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.350 -4.370 16.649 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.274 -3.647 16.123 1.00 0.00 C ATOM 0 H PHE A 5 -7.382 -2.054 17.934 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.696 -0.247 15.891 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.023 -2.996 15.872 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.507 -2.173 14.413 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.994 -1.133 14.615 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.490 -4.482 16.853 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.675 -1.925 14.980 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.169 -5.273 17.214 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.263 -3.990 16.285 1.00 0.00 H new ATOM 83 N THR A 6 -8.761 0.632 14.798 1.00 0.00 N ATOM 84 CA THR A 6 -9.962 1.292 14.300 1.00 0.00 C ATOM 85 C THR A 6 -10.673 0.413 13.280 1.00 0.00 C ATOM 86 O THR A 6 -10.067 -0.474 12.683 1.00 0.00 O ATOM 87 CB THR A 6 -9.595 2.626 13.650 1.00 0.00 C ATOM 88 OG1 THR A 6 -8.782 3.378 14.540 1.00 0.00 O ATOM 89 CG2 THR A 6 -10.868 3.412 13.331 1.00 0.00 C ATOM 0 H THR A 6 -7.892 0.953 14.372 1.00 0.00 H new ATOM 0 HA THR A 6 -10.630 1.468 15.143 1.00 0.00 H new ATOM 0 HB THR A 6 -9.047 2.439 12.726 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.545 4.233 14.123 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.602 4.362 12.868 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.489 2.835 12.646 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.420 3.599 14.252 1.00 0.00 H new ATOM 97 N VAL A 7 -11.960 0.668 13.086 1.00 0.00 N ATOM 98 CA VAL A 7 -12.750 -0.104 12.135 1.00 0.00 C ATOM 99 C VAL A 7 -12.236 0.099 10.713 1.00 0.00 C ATOM 100 O VAL A 7 -12.139 -0.851 9.937 1.00 0.00 O ATOM 101 CB VAL A 7 -14.222 0.310 12.211 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.019 -0.406 11.116 1.00 0.00 C ATOM 103 CG2 VAL A 7 -14.787 -0.073 13.582 1.00 0.00 C ATOM 0 H VAL A 7 -12.478 1.400 13.572 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.657 -1.158 12.395 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.301 1.388 12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.066 -0.108 11.174 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.619 -0.136 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.940 -1.484 11.255 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.835 0.221 13.639 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.704 -1.151 13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.224 0.438 14.363 1.00 0.00 H new ATOM 113 N GLN A 8 -11.923 1.344 10.376 1.00 0.00 N ATOM 114 CA GLN A 8 -11.439 1.664 9.039 1.00 0.00 C ATOM 115 C GLN A 8 -10.375 0.666 8.598 1.00 0.00 C ATOM 116 O GLN A 8 -10.299 0.306 7.423 1.00 0.00 O ATOM 117 CB GLN A 8 -10.848 3.075 9.025 1.00 0.00 C ATOM 118 CG GLN A 8 -10.454 3.451 7.596 1.00 0.00 C ATOM 119 CD GLN A 8 -9.944 4.888 7.555 1.00 0.00 C ATOM 120 OE1 GLN A 8 -8.949 5.215 8.203 1.00 0.00 O ATOM 121 NE2 GLN A 8 -10.572 5.773 6.828 1.00 0.00 N ATOM 0 H GLN A 8 -11.995 2.144 11.005 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.280 1.610 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.575 3.789 9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.976 3.122 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.682 2.772 7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.312 3.342 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.396 5.501 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.238 6.736 6.796 1.00 0.00 H new ATOM 130 N GLU A 9 -9.557 0.220 9.544 1.00 0.00 N ATOM 131 CA GLU A 9 -8.505 -0.741 9.235 1.00 0.00 C ATOM 132 C GLU A 9 -9.101 -2.091 8.847 1.00 0.00 C ATOM 133 O GLU A 9 -8.620 -2.752 7.928 1.00 0.00 O ATOM 134 CB GLU A 9 -7.586 -0.910 10.446 1.00 0.00 C ATOM 135 CG GLU A 9 -6.802 0.385 10.672 1.00 0.00 C ATOM 136 CD GLU A 9 -5.932 0.253 11.917 1.00 0.00 C ATOM 137 OE1 GLU A 9 -5.908 -0.827 12.483 1.00 0.00 O ATOM 138 OE2 GLU A 9 -5.306 1.232 12.287 1.00 0.00 O ATOM 0 H GLU A 9 -9.601 0.505 10.522 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.929 -0.362 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.174 -1.152 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.899 -1.740 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.179 0.600 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.491 1.222 10.786 1.00 0.00 H new ATOM 145 N LEU A 10 -10.146 -2.494 9.556 1.00 0.00 N ATOM 146 CA LEU A 10 -10.802 -3.769 9.286 1.00 0.00 C ATOM 147 C LEU A 10 -11.484 -3.747 7.925 1.00 0.00 C ATOM 148 O LEU A 10 -11.507 -4.752 7.215 1.00 0.00 O ATOM 149 CB LEU A 10 -11.827 -4.071 10.386 1.00 0.00 C ATOM 150 CG LEU A 10 -11.107 -4.644 11.619 1.00 0.00 C ATOM 151 CD1 LEU A 10 -10.553 -6.060 11.324 1.00 0.00 C ATOM 152 CD2 LEU A 10 -9.953 -3.705 12.010 1.00 0.00 C ATOM 0 H LEU A 10 -10.558 -1.959 10.321 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.045 -4.554 9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.364 -3.162 10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.568 -4.783 10.021 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.819 -4.720 12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.048 -6.445 12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.375 -6.724 11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.845 -6.009 10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.438 -4.105 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.251 -3.626 11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.351 -2.718 12.244 1.00 0.00 H new ATOM 164 N LYS A 11 -12.048 -2.604 7.576 1.00 0.00 N ATOM 165 CA LYS A 11 -12.741 -2.472 6.306 1.00 0.00 C ATOM 166 C LYS A 11 -11.796 -2.768 5.148 1.00 0.00 C ATOM 167 O LYS A 11 -12.179 -3.417 4.175 1.00 0.00 O ATOM 168 CB LYS A 11 -13.294 -1.056 6.164 1.00 0.00 C ATOM 169 CG LYS A 11 -14.392 -0.830 7.208 1.00 0.00 C ATOM 170 CD LYS A 11 -14.913 0.613 7.112 1.00 0.00 C ATOM 171 CE LYS A 11 -15.912 0.736 5.958 1.00 0.00 C ATOM 172 NZ LYS A 11 -16.578 2.065 6.016 1.00 0.00 N ATOM 0 H LYS A 11 -12.040 -1.760 8.149 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.562 -3.189 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.495 -0.327 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.695 -0.910 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.209 -1.533 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.001 -1.019 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.391 0.898 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.080 1.299 6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.398 0.616 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.656 -0.058 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.256 2.148 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.081 2.162 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.863 2.816 5.936 1.00 0.00 H new ATOM 186 N GLU A 12 -10.563 -2.289 5.257 1.00 0.00 N ATOM 187 CA GLU A 12 -9.575 -2.511 4.207 1.00 0.00 C ATOM 188 C GLU A 12 -9.280 -4.001 4.060 1.00 0.00 C ATOM 189 O GLU A 12 -9.218 -4.525 2.950 1.00 0.00 O ATOM 190 CB GLU A 12 -8.284 -1.759 4.544 1.00 0.00 C ATOM 191 CG GLU A 12 -8.558 -0.254 4.572 1.00 0.00 C ATOM 192 CD GLU A 12 -8.952 0.233 3.182 1.00 0.00 C ATOM 193 OE1 GLU A 12 -8.656 -0.466 2.226 1.00 0.00 O ATOM 194 OE2 GLU A 12 -9.542 1.297 3.092 1.00 0.00 O ATOM 0 H GLU A 12 -10.225 -1.749 6.054 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.976 -2.139 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.902 -2.087 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.516 -1.985 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.355 -0.035 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.671 0.279 4.915 1.00 0.00 H new ATOM 201 N ARG A 13 -9.099 -4.676 5.189 1.00 0.00 N ATOM 202 CA ARG A 13 -8.812 -6.106 5.177 1.00 0.00 C ATOM 203 C ARG A 13 -10.028 -6.894 4.715 1.00 0.00 C ATOM 204 O ARG A 13 -9.898 -7.906 4.032 1.00 0.00 O ATOM 205 CB ARG A 13 -8.399 -6.563 6.578 1.00 0.00 C ATOM 206 CG ARG A 13 -7.072 -5.898 6.982 1.00 0.00 C ATOM 207 CD ARG A 13 -5.888 -6.665 6.377 1.00 0.00 C ATOM 208 NE ARG A 13 -4.631 -6.109 6.855 1.00 0.00 N ATOM 209 CZ ARG A 13 -3.495 -6.344 6.212 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.498 -7.079 5.131 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.379 -5.841 6.657 1.00 0.00 N ATOM 0 H ARG A 13 -9.145 -4.260 6.119 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.995 -6.290 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.177 -6.306 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.292 -7.648 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.057 -4.863 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.984 -5.876 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.953 -7.719 6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.928 -6.610 5.289 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.623 -5.531 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.373 -7.471 4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.625 -7.261 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.379 -5.267 7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.505 -6.022 6.163 1.00 0.00 H new ATOM 225 N ALA A 14 -11.206 -6.424 5.098 1.00 0.00 N ATOM 226 CA ALA A 14 -12.447 -7.091 4.725 1.00 0.00 C ATOM 227 C ALA A 14 -12.729 -6.906 3.237 1.00 0.00 C ATOM 228 O ALA A 14 -13.643 -7.523 2.689 1.00 0.00 O ATOM 229 CB ALA A 14 -13.610 -6.533 5.543 1.00 0.00 C ATOM 0 H ALA A 14 -11.330 -5.586 5.665 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.340 -8.156 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.532 -7.038 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.421 -6.698 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.708 -5.464 5.354 1.00 0.00 H new ATOM 235 N LYS A 15 -11.943 -6.051 2.592 1.00 0.00 N ATOM 236 CA LYS A 15 -12.121 -5.788 1.167 1.00 0.00 C ATOM 237 C LYS A 15 -12.095 -7.093 0.376 1.00 0.00 C ATOM 238 O LYS A 15 -12.747 -7.213 -0.661 1.00 0.00 O ATOM 239 CB LYS A 15 -11.014 -4.861 0.656 1.00 0.00 C ATOM 240 CG LYS A 15 -11.299 -4.470 -0.790 1.00 0.00 C ATOM 241 CD LYS A 15 -10.224 -3.495 -1.270 1.00 0.00 C ATOM 242 CE LYS A 15 -10.543 -3.054 -2.694 1.00 0.00 C ATOM 243 NZ LYS A 15 -10.388 -4.209 -3.626 1.00 0.00 N ATOM 0 H LYS A 15 -11.182 -5.531 3.028 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.088 -5.305 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.957 -3.969 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.048 -5.360 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.311 -5.357 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.284 -4.010 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.182 -2.629 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.244 -3.971 -1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.561 -2.667 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.878 -2.243 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.337 -3.861 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.515 -4.726 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.204 -4.847 -3.527 1.00 0.00 H new ATOM 257 N VAL A 16 -11.338 -8.067 0.870 1.00 0.00 N ATOM 258 CA VAL A 16 -11.237 -9.358 0.196 1.00 0.00 C ATOM 259 C VAL A 16 -12.475 -10.204 0.479 1.00 0.00 C ATOM 260 O VAL A 16 -12.944 -10.275 1.615 1.00 0.00 O ATOM 261 CB VAL A 16 -9.988 -10.100 0.680 1.00 0.00 C ATOM 262 CG1 VAL A 16 -8.767 -9.190 0.535 1.00 0.00 C ATOM 263 CG2 VAL A 16 -10.162 -10.496 2.153 1.00 0.00 C ATOM 0 H VAL A 16 -10.790 -7.990 1.727 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.165 -9.186 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.845 -10.999 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.877 -9.717 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.642 -8.913 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.910 -8.291 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.272 -11.024 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.307 -9.600 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.031 -11.146 2.255 1.00 0.00 H new ATOM 273 N PHE A 17 -13.001 -10.841 -0.562 1.00 0.00 N ATOM 274 CA PHE A 17 -14.187 -11.677 -0.413 1.00 0.00 C ATOM 275 C PHE A 17 -13.848 -12.960 0.336 1.00 0.00 C ATOM 276 O PHE A 17 -12.783 -13.544 0.140 1.00 0.00 O ATOM 277 CB PHE A 17 -14.752 -12.026 -1.792 1.00 0.00 C ATOM 278 CG PHE A 17 -15.304 -10.780 -2.441 1.00 0.00 C ATOM 279 CD1 PHE A 17 -16.622 -10.381 -2.186 1.00 0.00 C ATOM 280 CD2 PHE A 17 -14.496 -10.021 -3.297 1.00 0.00 C ATOM 281 CE1 PHE A 17 -17.132 -9.225 -2.788 1.00 0.00 C ATOM 282 CE2 PHE A 17 -15.008 -8.865 -3.900 1.00 0.00 C ATOM 283 CZ PHE A 17 -16.325 -8.467 -3.645 1.00 0.00 C ATOM 0 H PHE A 17 -12.629 -10.795 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 17 -14.931 -11.122 0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.971 -12.459 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.536 -12.777 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.245 -10.965 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.479 -10.327 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.148 -8.918 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.386 -8.281 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 17 -16.719 -7.575 -4.109 1.00 0.00 H new ATOM 293 N ALA A 18 -14.761 -13.394 1.197 1.00 0.00 N ATOM 294 CA ALA A 18 -14.547 -14.609 1.969 1.00 0.00 C ATOM 295 C ALA A 18 -15.836 -15.040 2.645 1.00 0.00 C ATOM 296 O ALA A 18 -16.466 -16.021 2.245 1.00 0.00 O ATOM 297 CB ALA A 18 -13.469 -14.374 3.031 1.00 0.00 C ATOM 0 H ALA A 18 -15.649 -12.926 1.376 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.220 -15.396 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.316 -15.289 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.536 -14.090 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.787 -13.576 3.702 1.00 0.00 H new ATOM 303 N LYS A 19 -16.221 -14.303 3.679 1.00 0.00 N ATOM 304 CA LYS A 19 -17.438 -14.616 4.420 1.00 0.00 C ATOM 305 C LYS A 19 -18.650 -13.909 3.799 1.00 0.00 C ATOM 306 O LYS A 19 -18.504 -12.895 3.111 1.00 0.00 O ATOM 307 CB LYS A 19 -17.289 -14.205 5.902 1.00 0.00 C ATOM 308 CG LYS A 19 -16.342 -13.017 6.016 1.00 0.00 C ATOM 309 CD LYS A 19 -16.865 -11.861 5.148 1.00 0.00 C ATOM 310 CE LYS A 19 -16.272 -10.544 5.642 1.00 0.00 C ATOM 311 NZ LYS A 19 -16.938 -10.152 6.914 1.00 0.00 N ATOM 0 H LYS A 19 -15.712 -13.489 4.023 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.599 -15.693 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.263 -13.946 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.907 -15.043 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.264 -12.699 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.341 -13.304 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.595 -12.025 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.953 -11.822 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.199 -10.651 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.409 -9.766 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.539 -9.320 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.524 -10.940 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.217 -9.922 7.627 1.00 0.00 H new ATOM 325 N PRO A 20 -19.837 -14.409 4.043 1.00 0.00 N ATOM 326 CA PRO A 20 -21.088 -13.789 3.509 1.00 0.00 C ATOM 327 C PRO A 20 -21.156 -12.288 3.798 1.00 0.00 C ATOM 328 O PRO A 20 -20.706 -11.822 4.845 1.00 0.00 O ATOM 329 CB PRO A 20 -22.210 -14.537 4.254 1.00 0.00 C ATOM 330 CG PRO A 20 -21.623 -15.854 4.654 1.00 0.00 C ATOM 331 CD PRO A 20 -20.120 -15.630 4.827 1.00 0.00 C ATOM 0 HA PRO A 20 -21.156 -13.874 2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.542 -13.975 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.081 -14.675 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -22.070 -16.212 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -21.817 -16.611 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.856 -15.498 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.547 -16.481 4.458 1.00 0.00 H new ATOM 339 N ILE A 21 -21.722 -11.539 2.857 1.00 0.00 N ATOM 340 CA ILE A 21 -21.843 -10.095 3.012 1.00 0.00 C ATOM 341 C ILE A 21 -22.966 -9.756 3.983 1.00 0.00 C ATOM 342 O ILE A 21 -24.080 -10.266 3.866 1.00 0.00 O ATOM 343 CB ILE A 21 -22.128 -9.445 1.657 1.00 0.00 C ATOM 344 CG1 ILE A 21 -21.173 -10.022 0.603 1.00 0.00 C ATOM 345 CG2 ILE A 21 -21.921 -7.932 1.759 1.00 0.00 C ATOM 346 CD1 ILE A 21 -19.722 -9.921 1.091 1.00 0.00 C ATOM 0 H ILE A 21 -22.102 -11.906 1.984 1.00 0.00 H new ATOM 0 HA ILE A 21 -20.903 -9.711 3.408 1.00 0.00 H new ATOM 0 HB ILE A 21 -23.158 -9.650 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -21.426 -11.063 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -21.287 -9.481 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -22.125 -7.471 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -22.599 -7.522 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -20.891 -7.724 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -19.054 -10.334 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -19.469 -8.875 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -19.610 -10.482 2.019 1.00 0.00 H new ATOM 358 N GLY A 22 -22.663 -8.889 4.945 1.00 0.00 N ATOM 359 CA GLY A 22 -23.652 -8.484 5.938 1.00 0.00 C ATOM 360 C GLY A 22 -23.754 -9.513 7.058 1.00 0.00 C ATOM 361 O GLY A 22 -23.063 -10.532 7.044 1.00 0.00 O ATOM 0 H GLY A 22 -21.746 -8.456 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.379 -7.514 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.624 -8.364 5.460 1.00 0.00 H new ATOM 365 N ALA A 23 -24.621 -9.238 8.027 1.00 0.00 N ATOM 366 CA ALA A 23 -24.807 -10.147 9.153 1.00 0.00 C ATOM 367 C ALA A 23 -23.506 -10.303 9.934 1.00 0.00 C ATOM 368 O ALA A 23 -23.356 -9.752 11.026 1.00 0.00 O ATOM 369 CB ALA A 23 -25.273 -11.514 8.648 1.00 0.00 C ATOM 0 H ALA A 23 -25.202 -8.400 8.056 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.565 -9.729 9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.410 -12.187 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -26.218 -11.403 8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.524 -11.927 7.973 1.00 0.00 H new ATOM 375 N SER A 24 -22.569 -11.060 9.371 1.00 0.00 N ATOM 376 CA SER A 24 -21.284 -11.280 10.023 1.00 0.00 C ATOM 377 C SER A 24 -20.397 -10.049 9.897 1.00 0.00 C ATOM 378 O SER A 24 -19.606 -9.752 10.791 1.00 0.00 O ATOM 379 CB SER A 24 -20.582 -12.485 9.395 1.00 0.00 C ATOM 380 OG SER A 24 -21.246 -13.677 9.795 1.00 0.00 O ATOM 0 H SER A 24 -22.675 -11.528 8.471 1.00 0.00 H new ATOM 0 HA SER A 24 -21.464 -11.473 11.081 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.589 -12.399 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.538 -12.515 9.706 1.00 0.00 H new ATOM 0 HG SER A 24 -20.799 -14.451 9.393 1.00 0.00 H new ATOM 386 N TYR A 25 -20.532 -9.336 8.782 1.00 0.00 N ATOM 387 CA TYR A 25 -19.730 -8.139 8.552 1.00 0.00 C ATOM 388 C TYR A 25 -20.150 -7.023 9.506 1.00 0.00 C ATOM 389 O TYR A 25 -19.310 -6.349 10.103 1.00 0.00 O ATOM 390 CB TYR A 25 -19.904 -7.669 7.106 1.00 0.00 C ATOM 391 CG TYR A 25 -19.146 -6.378 6.900 1.00 0.00 C ATOM 392 CD1 TYR A 25 -17.762 -6.407 6.687 1.00 0.00 C ATOM 393 CD2 TYR A 25 -19.826 -5.155 6.921 1.00 0.00 C ATOM 394 CE1 TYR A 25 -17.058 -5.212 6.499 1.00 0.00 C ATOM 395 CE2 TYR A 25 -19.122 -3.960 6.733 1.00 0.00 C ATOM 396 CZ TYR A 25 -17.739 -3.989 6.520 1.00 0.00 C ATOM 397 OH TYR A 25 -17.045 -2.812 6.334 1.00 0.00 O ATOM 0 H TYR A 25 -21.183 -9.564 8.030 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.683 -8.382 8.733 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.538 -8.431 6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.961 -7.521 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.238 -7.351 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -20.894 -5.133 7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.990 -5.233 6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -19.646 -3.016 6.752 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.667 -2.056 6.377 1.00 0.00 H new ATOM 407 N GLN A 26 -21.455 -6.833 9.647 1.00 0.00 N ATOM 408 CA GLN A 26 -21.974 -5.802 10.536 1.00 0.00 C ATOM 409 C GLN A 26 -21.744 -6.185 11.995 1.00 0.00 C ATOM 410 O GLN A 26 -21.462 -5.333 12.834 1.00 0.00 O ATOM 411 CB GLN A 26 -23.467 -5.596 10.284 1.00 0.00 C ATOM 412 CG GLN A 26 -24.202 -6.925 10.455 1.00 0.00 C ATOM 413 CD GLN A 26 -25.669 -6.760 10.074 1.00 0.00 C ATOM 414 OE1 GLN A 26 -26.005 -5.912 9.248 1.00 0.00 O ATOM 415 NE2 GLN A 26 -26.567 -7.528 10.627 1.00 0.00 N ATOM 0 H GLN A 26 -22.169 -7.375 9.161 1.00 0.00 H new ATOM 0 HA GLN A 26 -21.443 -4.872 10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.865 -4.856 10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.626 -5.207 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.739 -7.689 9.831 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -24.122 -7.265 11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -26.286 -8.230 11.311 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -27.550 -7.426 10.375 1.00 0.00 H new ATOM 424 N GLY A 27 -21.877 -7.474 12.292 1.00 0.00 N ATOM 425 CA GLY A 27 -21.691 -7.957 13.655 1.00 0.00 C ATOM 426 C GLY A 27 -20.234 -7.857 14.087 1.00 0.00 C ATOM 427 O GLY A 27 -19.929 -7.345 15.163 1.00 0.00 O ATOM 0 H GLY A 27 -22.111 -8.198 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -22.314 -7.378 14.336 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.022 -8.993 13.724 1.00 0.00 H new ATOM 431 N ILE A 28 -19.342 -8.357 13.246 1.00 0.00 N ATOM 432 CA ILE A 28 -17.920 -8.329 13.553 1.00 0.00 C ATOM 433 C ILE A 28 -17.388 -6.904 13.505 1.00 0.00 C ATOM 434 O ILE A 28 -16.382 -6.579 14.132 1.00 0.00 O ATOM 435 CB ILE A 28 -17.145 -9.205 12.556 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.724 -9.485 13.097 1.00 0.00 C ATOM 437 CG2 ILE A 28 -17.052 -8.492 11.199 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.746 -10.700 14.026 1.00 0.00 C ATOM 0 H ILE A 28 -19.575 -8.785 12.350 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.780 -8.721 14.560 1.00 0.00 H new ATOM 0 HB ILE A 28 -17.672 -10.151 12.429 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.039 -9.664 12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.353 -8.613 13.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -16.502 -9.118 10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -18.055 -8.310 10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -16.533 -7.542 11.322 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -14.740 -10.889 14.402 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -16.416 -10.505 14.864 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -16.098 -11.573 13.475 1.00 0.00 H new ATOM 450 N LEU A 29 -18.061 -6.058 12.742 1.00 0.00 N ATOM 451 CA LEU A 29 -17.633 -4.676 12.605 1.00 0.00 C ATOM 452 C LEU A 29 -18.274 -3.801 13.671 1.00 0.00 C ATOM 453 O LEU A 29 -17.599 -2.991 14.306 1.00 0.00 O ATOM 454 CB LEU A 29 -18.022 -4.160 11.218 1.00 0.00 C ATOM 455 CG LEU A 29 -17.538 -2.692 11.042 1.00 0.00 C ATOM 456 CD1 LEU A 29 -16.935 -2.499 9.645 1.00 0.00 C ATOM 457 CD2 LEU A 29 -18.721 -1.724 11.218 1.00 0.00 C ATOM 0 H LEU A 29 -18.898 -6.301 12.213 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.551 -4.633 12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.579 -4.792 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -19.103 -4.213 11.091 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.780 -2.484 11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.600 -1.468 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -16.087 -3.172 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -17.689 -2.719 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -18.374 -0.698 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -19.484 -1.942 10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -19.145 -1.845 12.215 1.00 0.00 H new ATOM 469 N ASP A 30 -19.573 -3.972 13.864 1.00 0.00 N ATOM 470 CA ASP A 30 -20.294 -3.197 14.864 1.00 0.00 C ATOM 471 C ASP A 30 -19.774 -3.505 16.265 1.00 0.00 C ATOM 472 O ASP A 30 -19.690 -2.618 17.106 1.00 0.00 O ATOM 473 CB ASP A 30 -21.789 -3.505 14.795 1.00 0.00 C ATOM 474 CG ASP A 30 -22.550 -2.629 15.784 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.904 -1.913 16.531 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.769 -2.680 15.773 1.00 0.00 O ATOM 0 H ASP A 30 -20.147 -4.636 13.345 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.133 -2.140 14.653 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.158 -3.331 13.784 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.962 -4.557 15.021 1.00 0.00 H new ATOM 481 N GLN A 31 -19.442 -4.768 16.508 1.00 0.00 N ATOM 482 CA GLN A 31 -18.953 -5.182 17.817 1.00 0.00 C ATOM 483 C GLN A 31 -17.692 -4.412 18.187 1.00 0.00 C ATOM 484 O GLN A 31 -17.478 -4.083 19.353 1.00 0.00 O ATOM 485 CB GLN A 31 -18.654 -6.687 17.814 1.00 0.00 C ATOM 486 CG GLN A 31 -18.286 -7.153 19.224 1.00 0.00 C ATOM 487 CD GLN A 31 -19.492 -7.016 20.144 1.00 0.00 C ATOM 488 OE1 GLN A 31 -19.326 -6.555 21.352 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -20.615 -7.331 19.750 1.00 0.00 N flip ATOM 0 H GLN A 31 -19.502 -5.519 15.820 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.725 -4.967 18.556 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -19.524 -7.238 17.456 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.836 -6.902 17.127 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.953 -8.190 19.199 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.455 -6.560 19.608 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -20.741 -7.691 18.804 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.419 -7.232 20.369 1.00 0.00 H new ATOM 498 N LEU A 32 -16.863 -4.125 17.195 1.00 0.00 N ATOM 499 CA LEU A 32 -15.628 -3.392 17.438 1.00 0.00 C ATOM 500 C LEU A 32 -15.934 -2.011 17.999 1.00 0.00 C ATOM 501 O LEU A 32 -15.241 -1.525 18.889 1.00 0.00 O ATOM 502 CB LEU A 32 -14.837 -3.260 16.134 1.00 0.00 C ATOM 503 CG LEU A 32 -14.305 -4.639 15.708 1.00 0.00 C ATOM 504 CD1 LEU A 32 -13.713 -4.538 14.300 1.00 0.00 C ATOM 505 CD2 LEU A 32 -13.221 -5.129 16.691 1.00 0.00 C ATOM 0 H LEU A 32 -17.020 -4.385 16.221 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.032 -3.942 18.166 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.474 -2.848 15.351 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.008 -2.566 16.269 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.128 -5.353 15.715 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.335 -5.513 13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.485 -4.213 13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.897 -3.816 14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.857 -6.106 16.373 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.394 -4.420 16.703 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.646 -5.208 17.692 1.00 0.00 H new ATOM 517 N ASP A 33 -16.977 -1.384 17.481 1.00 0.00 N ATOM 518 CA ASP A 33 -17.361 -0.060 17.952 1.00 0.00 C ATOM 519 C ASP A 33 -17.718 -0.111 19.436 1.00 0.00 C ATOM 520 O ASP A 33 -17.365 0.785 20.202 1.00 0.00 O ATOM 521 CB ASP A 33 -18.553 0.449 17.145 1.00 0.00 C ATOM 522 CG ASP A 33 -18.876 1.884 17.544 1.00 0.00 C ATOM 523 OD1 ASP A 33 -18.293 2.355 18.507 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.695 2.494 16.878 1.00 0.00 O ATOM 0 H ASP A 33 -17.569 -1.764 16.742 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.521 0.621 17.818 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.329 0.400 16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.419 -0.189 17.318 1.00 0.00 H new ATOM 529 N LEU A 34 -18.413 -1.170 19.832 1.00 0.00 N ATOM 530 CA LEU A 34 -18.811 -1.343 21.226 1.00 0.00 C ATOM 531 C LEU A 34 -17.592 -1.512 22.117 1.00 0.00 C ATOM 532 O LEU A 34 -17.563 -1.015 23.237 1.00 0.00 O ATOM 533 CB LEU A 34 -19.743 -2.559 21.363 1.00 0.00 C ATOM 534 CG LEU A 34 -21.198 -2.135 21.092 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.719 -1.228 22.238 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.272 -1.379 19.751 1.00 0.00 C ATOM 0 H LEU A 34 -18.713 -1.921 19.210 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.346 -0.449 21.545 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.445 -3.338 20.661 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.658 -2.982 22.364 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.824 -3.026 21.042 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.749 -0.937 22.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.678 -1.773 23.181 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.097 -0.336 22.308 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.302 -1.079 19.559 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.638 -0.493 19.797 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.928 -2.030 18.947 1.00 0.00 H new ATOM 548 N VAL A 35 -16.598 -2.222 21.617 1.00 0.00 N ATOM 549 CA VAL A 35 -15.390 -2.460 22.390 1.00 0.00 C ATOM 550 C VAL A 35 -14.786 -1.140 22.856 1.00 0.00 C ATOM 551 O VAL A 35 -14.035 -1.101 23.830 1.00 0.00 O ATOM 552 CB VAL A 35 -14.370 -3.223 21.538 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.032 -3.301 22.281 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.889 -4.640 21.260 1.00 0.00 C ATOM 0 H VAL A 35 -16.601 -2.642 20.687 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.648 -3.055 23.266 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.226 -2.699 20.593 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.309 -3.844 21.672 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.662 -2.293 22.471 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.172 -3.821 23.229 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.162 -5.181 20.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.037 -5.165 22.204 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.837 -4.582 20.725 1.00 0.00 H new ATOM 564 N HIS A 36 -15.116 -0.061 22.154 1.00 0.00 N ATOM 565 CA HIS A 36 -14.596 1.254 22.510 1.00 0.00 C ATOM 566 C HIS A 36 -15.405 1.866 23.647 1.00 0.00 C ATOM 567 O HIS A 36 -14.844 2.379 24.614 1.00 0.00 O ATOM 568 CB HIS A 36 -14.648 2.176 21.293 1.00 0.00 C ATOM 569 CG HIS A 36 -13.931 3.460 21.606 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.555 3.519 21.761 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.385 4.742 21.797 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.231 4.796 22.032 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.310 5.583 22.066 1.00 0.00 N ATOM 0 H HIS A 36 -15.735 -0.070 21.343 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.564 1.138 22.840 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.186 1.689 20.434 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.684 2.382 21.023 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.419 5.050 21.746 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.222 5.143 22.201 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.339 6.586 22.250 1.00 0.00 H new ATOM 581 N GLN A 37 -16.728 1.811 23.525 1.00 0.00 N ATOM 582 CA GLN A 37 -17.604 2.366 24.551 1.00 0.00 C ATOM 583 C GLN A 37 -17.801 1.369 25.689 1.00 0.00 C ATOM 584 O GLN A 37 -18.161 1.750 26.803 1.00 0.00 O ATOM 585 CB GLN A 37 -18.965 2.710 23.937 1.00 0.00 C ATOM 586 CG GLN A 37 -18.792 3.794 22.871 1.00 0.00 C ATOM 587 CD GLN A 37 -18.342 5.098 23.519 1.00 0.00 C ATOM 588 OE1 GLN A 37 -18.694 5.376 24.664 1.00 0.00 O ATOM 589 NE2 GLN A 37 -17.595 5.928 22.844 1.00 0.00 N ATOM 0 H GLN A 37 -17.214 1.391 22.732 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.140 3.268 24.950 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.410 1.819 23.494 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -19.648 3.056 24.713 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -18.058 3.474 22.131 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.732 3.947 22.341 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -17.304 5.696 21.894 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -17.302 6.809 23.266 1.00 0.00 H new ATOM 598 N ALA A 38 -17.561 0.095 25.400 1.00 0.00 N ATOM 599 CA ALA A 38 -17.713 -0.949 26.404 1.00 0.00 C ATOM 600 C ALA A 38 -16.558 -0.912 27.391 1.00 0.00 C ATOM 601 O ALA A 38 -15.412 -0.675 27.006 1.00 0.00 O ATOM 602 CB ALA A 38 -17.762 -2.318 25.734 1.00 0.00 C ATOM 0 H ALA A 38 -17.262 -0.238 24.483 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.645 -0.774 26.941 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.876 -3.091 26.494 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.608 -2.357 25.047 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.838 -2.486 25.181 1.00 0.00 H new ATOM 608 N LYS A 39 -16.861 -1.149 28.665 1.00 0.00 N ATOM 609 CA LYS A 39 -15.838 -1.134 29.713 1.00 0.00 C ATOM 610 C LYS A 39 -16.114 -2.214 30.748 1.00 0.00 C ATOM 611 O LYS A 39 -17.267 -2.521 31.057 1.00 0.00 O ATOM 612 CB LYS A 39 -15.823 0.239 30.403 1.00 0.00 C ATOM 613 CG LYS A 39 -15.168 1.300 29.499 1.00 0.00 C ATOM 614 CD LYS A 39 -13.643 1.210 29.603 1.00 0.00 C ATOM 615 CE LYS A 39 -13.009 2.297 28.745 1.00 0.00 C ATOM 616 NZ LYS A 39 -11.527 2.193 28.847 1.00 0.00 N ATOM 0 H LYS A 39 -17.803 -1.353 28.998 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.869 -1.327 29.252 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.842 0.540 30.645 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.279 0.171 31.345 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.479 1.151 28.465 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.502 2.295 29.792 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.332 1.324 30.641 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.303 0.228 29.274 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.323 2.188 27.707 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.341 3.281 29.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.086 2.932 28.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.238 2.316 29.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.221 1.258 28.510 1.00 0.00 H new ATOM 630 N GLY A 40 -15.040 -2.790 31.277 1.00 0.00 N ATOM 631 CA GLY A 40 -15.162 -3.841 32.273 1.00 0.00 C ATOM 632 C GLY A 40 -15.722 -5.115 31.651 1.00 0.00 C ATOM 633 O GLY A 40 -15.197 -5.619 30.660 1.00 0.00 O ATOM 0 H GLY A 40 -14.080 -2.546 31.032 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.186 -4.045 32.714 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.814 -3.509 33.081 1.00 0.00 H new ATOM 637 N ARG A 41 -16.786 -5.635 32.246 1.00 0.00 N ATOM 638 CA ARG A 41 -17.403 -6.858 31.752 1.00 0.00 C ATOM 639 C ARG A 41 -17.875 -6.678 30.306 1.00 0.00 C ATOM 640 O ARG A 41 -17.705 -7.560 29.466 1.00 0.00 O ATOM 641 CB ARG A 41 -18.597 -7.241 32.650 1.00 0.00 C ATOM 642 CG ARG A 41 -18.736 -8.766 32.724 1.00 0.00 C ATOM 643 CD ARG A 41 -18.915 -9.338 31.316 1.00 0.00 C ATOM 644 NE ARG A 41 -19.489 -10.676 31.387 1.00 0.00 N ATOM 645 CZ ARG A 41 -18.720 -11.749 31.536 1.00 0.00 C ATOM 646 NH1 ARG A 41 -17.424 -11.619 31.625 1.00 0.00 N ATOM 647 NH2 ARG A 41 -19.263 -12.933 31.594 1.00 0.00 N ATOM 0 H ARG A 41 -17.238 -5.232 33.067 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.661 -7.656 31.777 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.455 -6.833 33.650 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -19.514 -6.804 32.255 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.852 -9.199 33.193 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.590 -9.033 33.346 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.564 -8.686 30.730 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.953 -9.373 30.805 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.500 -10.791 31.321 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.000 -10.692 31.580 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.835 -12.444 31.739 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.276 -13.034 31.525 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.675 -13.759 31.708 1.00 0.00 H new ATOM 661 N ASP A 42 -18.477 -5.534 30.029 1.00 0.00 N ATOM 662 CA ASP A 42 -18.984 -5.266 28.692 1.00 0.00 C ATOM 663 C ASP A 42 -17.868 -5.400 27.664 1.00 0.00 C ATOM 664 O ASP A 42 -18.058 -6.001 26.606 1.00 0.00 O ATOM 665 CB ASP A 42 -19.562 -3.850 28.633 1.00 0.00 C ATOM 666 CG ASP A 42 -20.220 -3.610 27.279 1.00 0.00 C ATOM 667 OD1 ASP A 42 -20.092 -4.467 26.420 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.840 -2.571 27.121 1.00 0.00 O ATOM 0 H ASP A 42 -18.626 -4.783 30.703 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.765 -5.991 28.464 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -20.292 -3.713 29.431 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.771 -3.118 28.797 1.00 0.00 H new ATOM 673 N GLN A 43 -16.704 -4.844 27.977 1.00 0.00 N ATOM 674 CA GLN A 43 -15.567 -4.918 27.067 1.00 0.00 C ATOM 675 C GLN A 43 -15.073 -6.357 26.941 1.00 0.00 C ATOM 676 O GLN A 43 -14.706 -6.806 25.856 1.00 0.00 O ATOM 677 CB GLN A 43 -14.435 -4.028 27.578 1.00 0.00 C ATOM 678 CG GLN A 43 -13.288 -4.023 26.565 1.00 0.00 C ATOM 679 CD GLN A 43 -12.172 -3.103 27.044 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.592 -3.330 28.105 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.834 -2.072 26.319 1.00 0.00 N ATOM 0 H GLN A 43 -16.523 -4.341 28.846 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.886 -4.571 26.084 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.800 -3.013 27.735 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.080 -4.392 28.542 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.905 -5.035 26.433 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.652 -3.691 25.593 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.317 -1.886 25.440 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.087 -1.452 26.631 1.00 0.00 H new ATOM 690 N ILE A 44 -15.064 -7.072 28.060 1.00 0.00 N ATOM 691 CA ILE A 44 -14.612 -8.459 28.068 1.00 0.00 C ATOM 692 C ILE A 44 -15.548 -9.331 27.236 1.00 0.00 C ATOM 693 O ILE A 44 -15.100 -10.188 26.474 1.00 0.00 O ATOM 694 CB ILE A 44 -14.555 -8.987 29.506 1.00 0.00 C ATOM 695 CG1 ILE A 44 -13.447 -8.258 30.270 1.00 0.00 C ATOM 696 CG2 ILE A 44 -14.254 -10.490 29.491 1.00 0.00 C ATOM 697 CD1 ILE A 44 -13.565 -8.570 31.763 1.00 0.00 C ATOM 0 H ILE A 44 -15.363 -6.717 28.969 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.614 -8.498 27.632 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.514 -8.813 29.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.470 -8.568 29.899 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.524 -7.183 30.105 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.214 -10.863 30.514 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.039 -11.013 28.945 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.295 -10.664 29.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.776 -8.051 32.307 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.537 -8.238 32.128 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.467 -9.644 31.919 1.00 0.00 H new ATOM 709 N ALA A 45 -16.847 -9.111 27.392 1.00 0.00 N ATOM 710 CA ALA A 45 -17.835 -9.890 26.657 1.00 0.00 C ATOM 711 C ALA A 45 -17.560 -9.826 25.157 1.00 0.00 C ATOM 712 O ALA A 45 -17.641 -10.837 24.459 1.00 0.00 O ATOM 713 CB ALA A 45 -19.238 -9.349 26.941 1.00 0.00 C ATOM 0 H ALA A 45 -17.239 -8.405 28.016 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.770 -10.928 26.984 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.973 -9.935 26.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -19.446 -9.419 28.009 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.296 -8.307 26.628 1.00 0.00 H new ATOM 719 N ALA A 46 -17.225 -8.636 24.669 1.00 0.00 N ATOM 720 CA ALA A 46 -16.931 -8.452 23.255 1.00 0.00 C ATOM 721 C ALA A 46 -15.711 -9.273 22.861 1.00 0.00 C ATOM 722 O ALA A 46 -15.664 -9.853 21.777 1.00 0.00 O ATOM 723 CB ALA A 46 -16.677 -6.973 22.971 1.00 0.00 C ATOM 0 H ALA A 46 -17.151 -7.788 25.231 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.785 -8.790 22.668 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.457 -6.838 21.912 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.563 -6.395 23.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.830 -6.629 23.564 1.00 0.00 H new ATOM 729 N SER A 47 -14.722 -9.316 23.750 1.00 0.00 N ATOM 730 CA SER A 47 -13.504 -10.065 23.480 1.00 0.00 C ATOM 731 C SER A 47 -13.804 -11.554 23.335 1.00 0.00 C ATOM 732 O SER A 47 -13.306 -12.213 22.422 1.00 0.00 O ATOM 733 CB SER A 47 -12.497 -9.856 24.612 1.00 0.00 C ATOM 734 OG SER A 47 -11.205 -10.256 24.170 1.00 0.00 O ATOM 0 H SER A 47 -14.741 -8.845 24.654 1.00 0.00 H new ATOM 0 HA SER A 47 -13.081 -9.699 22.544 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.483 -8.809 24.913 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.790 -10.436 25.487 1.00 0.00 H new ATOM 0 HG SER A 47 -10.556 -10.122 24.892 1.00 0.00 H new ATOM 740 N PHE A 48 -14.620 -12.074 24.244 1.00 0.00 N ATOM 741 CA PHE A 48 -14.985 -13.484 24.216 1.00 0.00 C ATOM 742 C PHE A 48 -15.723 -13.819 22.925 1.00 0.00 C ATOM 743 O PHE A 48 -15.457 -14.841 22.293 1.00 0.00 O ATOM 744 CB PHE A 48 -15.872 -13.819 25.416 1.00 0.00 C ATOM 745 CG PHE A 48 -16.183 -15.299 25.413 1.00 0.00 C ATOM 746 CD1 PHE A 48 -15.205 -16.219 25.812 1.00 0.00 C ATOM 747 CD2 PHE A 48 -17.448 -15.751 25.016 1.00 0.00 C ATOM 748 CE1 PHE A 48 -15.490 -17.590 25.809 1.00 0.00 C ATOM 749 CE2 PHE A 48 -17.733 -17.122 25.014 1.00 0.00 C ATOM 750 CZ PHE A 48 -16.754 -18.041 25.412 1.00 0.00 C ATOM 0 H PHE A 48 -15.040 -11.542 25.007 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.072 -14.078 24.264 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.368 -13.544 26.343 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -16.796 -13.242 25.372 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.231 -15.871 26.122 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.204 -15.042 24.711 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -14.734 -18.299 26.113 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -18.708 -17.471 24.706 1.00 0.00 H new ATOM 0 HZ PHE A 48 -16.975 -19.098 25.413 1.00 0.00 H new ATOM 760 N GLU A 49 -16.657 -12.956 22.542 1.00 0.00 N ATOM 761 CA GLU A 49 -17.430 -13.179 21.327 1.00 0.00 C ATOM 762 C GLU A 49 -16.531 -13.097 20.098 1.00 0.00 C ATOM 763 O GLU A 49 -16.524 -13.998 19.267 1.00 0.00 O ATOM 764 CB GLU A 49 -18.539 -12.132 21.217 1.00 0.00 C ATOM 765 CG GLU A 49 -19.516 -12.532 20.107 1.00 0.00 C ATOM 766 CD GLU A 49 -20.355 -13.721 20.560 1.00 0.00 C ATOM 767 OE1 GLU A 49 -20.232 -14.103 21.712 1.00 0.00 O ATOM 768 OE2 GLU A 49 -21.112 -14.229 19.749 1.00 0.00 O ATOM 0 H GLU A 49 -16.895 -12.104 23.049 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.871 -14.175 21.376 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.067 -12.046 22.167 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.109 -11.154 21.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.164 -11.691 19.860 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.966 -12.787 19.201 1.00 0.00 H new ATOM 775 N LEU A 50 -15.772 -12.012 19.998 1.00 0.00 N ATOM 776 CA LEU A 50 -14.869 -11.817 18.869 1.00 0.00 C ATOM 777 C LEU A 50 -13.813 -12.911 18.826 1.00 0.00 C ATOM 778 O LEU A 50 -13.388 -13.334 17.752 1.00 0.00 O ATOM 779 CB LEU A 50 -14.190 -10.452 18.965 1.00 0.00 C ATOM 780 CG LEU A 50 -15.230 -9.343 18.743 1.00 0.00 C ATOM 781 CD1 LEU A 50 -14.599 -7.984 19.069 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.729 -9.352 17.278 1.00 0.00 C ATOM 0 H LEU A 50 -15.763 -11.256 20.682 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.458 -11.863 17.953 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.722 -10.335 19.942 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.397 -10.376 18.221 1.00 0.00 H new ATOM 0 HG LEU A 50 -16.082 -9.520 19.399 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.334 -7.195 18.913 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.272 -7.975 20.109 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.741 -7.815 18.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.465 -8.560 17.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.887 -9.187 16.606 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -16.187 -10.316 17.056 1.00 0.00 H new ATOM 794 N ASN A 51 -13.385 -13.356 19.998 1.00 0.00 N ATOM 795 CA ASN A 51 -12.368 -14.393 20.079 1.00 0.00 C ATOM 796 C ASN A 51 -12.757 -15.593 19.223 1.00 0.00 C ATOM 797 O ASN A 51 -11.920 -16.164 18.524 1.00 0.00 O ATOM 798 CB ASN A 51 -12.200 -14.840 21.534 1.00 0.00 C ATOM 799 CG ASN A 51 -11.243 -16.025 21.610 1.00 0.00 C ATOM 800 OD1 ASN A 51 -10.551 -16.325 20.638 1.00 0.00 O ATOM 801 ND2 ASN A 51 -11.164 -16.720 22.711 1.00 0.00 N ATOM 0 H ASN A 51 -13.723 -13.018 20.899 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.428 -13.985 19.708 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.818 -14.015 22.135 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -13.168 -15.117 21.952 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.527 -17.515 22.768 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.739 -16.469 23.515 1.00 0.00 H new ATOM 808 N LYS A 52 -14.028 -15.969 19.275 1.00 0.00 N ATOM 809 CA LYS A 52 -14.503 -17.101 18.489 1.00 0.00 C ATOM 810 C LYS A 52 -14.365 -16.820 16.998 1.00 0.00 C ATOM 811 O LYS A 52 -13.904 -17.672 16.238 1.00 0.00 O ATOM 812 CB LYS A 52 -15.966 -17.383 18.818 1.00 0.00 C ATOM 813 CG LYS A 52 -16.068 -17.975 20.225 1.00 0.00 C ATOM 814 CD LYS A 52 -17.525 -18.348 20.530 1.00 0.00 C ATOM 815 CE LYS A 52 -18.343 -17.088 20.837 1.00 0.00 C ATOM 816 NZ LYS A 52 -19.649 -17.478 21.433 1.00 0.00 N ATOM 0 H LYS A 52 -14.741 -15.514 19.845 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.895 -17.971 18.740 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.547 -16.463 18.756 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.387 -18.076 18.089 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.433 -18.857 20.305 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.706 -17.255 20.959 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.959 -18.873 19.679 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.563 -19.030 21.379 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.795 -16.444 21.525 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.504 -16.515 19.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.204 -16.624 21.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.172 -18.076 20.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.485 -18.007 22.313 1.00 0.00 H new ATOM 830 N LYS A 53 -14.765 -15.624 16.584 1.00 0.00 N ATOM 831 CA LYS A 53 -14.676 -15.245 15.180 1.00 0.00 C ATOM 832 C LYS A 53 -13.219 -15.187 14.732 1.00 0.00 C ATOM 833 O LYS A 53 -12.872 -15.677 13.657 1.00 0.00 O ATOM 834 CB LYS A 53 -15.337 -13.878 14.964 1.00 0.00 C ATOM 835 CG LYS A 53 -16.856 -14.036 14.899 1.00 0.00 C ATOM 836 CD LYS A 53 -17.351 -14.754 16.156 1.00 0.00 C ATOM 837 CE LYS A 53 -18.840 -14.481 16.347 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.346 -15.261 17.512 1.00 0.00 N ATOM 0 H LYS A 53 -15.151 -14.905 17.195 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.196 -15.996 14.586 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.068 -13.202 15.776 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.970 -13.429 14.041 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.330 -13.058 14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.135 -14.602 14.011 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.176 -15.826 16.068 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.793 -14.410 17.027 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.007 -13.416 16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.389 -14.756 15.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.818 -14.619 18.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.024 -15.977 17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.549 -15.731 17.987 1.00 0.00 H new ATOM 852 N ILE A 54 -12.373 -14.581 15.557 1.00 0.00 N ATOM 853 CA ILE A 54 -10.962 -14.465 15.222 1.00 0.00 C ATOM 854 C ILE A 54 -10.303 -15.841 15.206 1.00 0.00 C ATOM 855 O ILE A 54 -9.557 -16.172 14.285 1.00 0.00 O ATOM 856 CB ILE A 54 -10.258 -13.568 16.250 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.771 -12.131 16.105 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.744 -13.595 16.013 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.274 -11.287 17.282 1.00 0.00 C ATOM 0 H ILE A 54 -12.636 -14.168 16.451 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.873 -14.022 14.230 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.471 -13.935 17.254 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.423 -11.703 15.165 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.861 -12.124 16.074 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.250 -12.957 16.745 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.378 -14.616 16.116 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.526 -13.231 15.009 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.640 -10.266 17.177 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.644 -11.711 18.216 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.184 -11.283 17.292 1.00 0.00 H new ATOM 871 N ASN A 55 -10.585 -16.638 16.230 1.00 0.00 N ATOM 872 CA ASN A 55 -10.014 -17.974 16.318 1.00 0.00 C ATOM 873 C ASN A 55 -10.497 -18.838 15.157 1.00 0.00 C ATOM 874 O ASN A 55 -9.722 -19.580 14.555 1.00 0.00 O ATOM 875 CB ASN A 55 -10.404 -18.625 17.651 1.00 0.00 C ATOM 876 CG ASN A 55 -9.539 -18.071 18.778 1.00 0.00 C ATOM 877 OD1 ASN A 55 -8.668 -17.235 18.541 1.00 0.00 O ATOM 878 ND2 ASN A 55 -9.722 -18.498 19.998 1.00 0.00 N ATOM 0 H ASN A 55 -11.200 -16.385 17.004 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.928 -17.892 16.264 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.456 -18.435 17.863 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.282 -19.706 17.586 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.142 -18.138 20.756 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.445 -19.191 20.193 1.00 0.00 H new ATOM 885 N ASP A 56 -11.786 -18.734 14.854 1.00 0.00 N ATOM 886 CA ASP A 56 -12.372 -19.508 13.768 1.00 0.00 C ATOM 887 C ASP A 56 -11.776 -19.089 12.429 1.00 0.00 C ATOM 888 O ASP A 56 -11.539 -19.923 11.554 1.00 0.00 O ATOM 889 CB ASP A 56 -13.888 -19.310 13.739 1.00 0.00 C ATOM 890 CG ASP A 56 -14.504 -20.163 12.635 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.752 -20.717 11.851 1.00 0.00 O ATOM 892 OD2 ASP A 56 -15.720 -20.258 12.596 1.00 0.00 O ATOM 0 H ASP A 56 -12.442 -18.124 15.343 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.149 -20.561 13.939 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.317 -19.583 14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.123 -18.259 13.572 1.00 0.00 H new ATOM 897 N TYR A 57 -11.541 -17.792 12.278 1.00 0.00 N ATOM 898 CA TYR A 57 -10.980 -17.264 11.041 1.00 0.00 C ATOM 899 C TYR A 57 -9.649 -17.941 10.731 1.00 0.00 C ATOM 900 O TYR A 57 -9.340 -18.224 9.573 1.00 0.00 O ATOM 901 CB TYR A 57 -10.771 -15.753 11.161 1.00 0.00 C ATOM 902 CG TYR A 57 -10.510 -15.169 9.793 1.00 0.00 C ATOM 903 CD1 TYR A 57 -11.585 -14.871 8.947 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.198 -14.925 9.369 1.00 0.00 C ATOM 905 CE1 TYR A 57 -11.350 -14.330 7.678 1.00 0.00 C ATOM 906 CE2 TYR A 57 -8.964 -14.382 8.100 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.039 -14.085 7.255 1.00 0.00 C ATOM 908 OH TYR A 57 -9.806 -13.551 6.004 1.00 0.00 O ATOM 0 H TYR A 57 -11.729 -17.089 12.993 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.679 -17.467 10.230 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.651 -15.288 11.605 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.931 -15.543 11.824 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.597 -15.059 9.274 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.368 -15.155 10.020 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.180 -14.102 7.026 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.952 -14.192 7.773 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.841 -13.443 5.869 1.00 0.00 H new ATOM 918 N ILE A 58 -8.862 -18.197 11.771 1.00 0.00 N ATOM 919 CA ILE A 58 -7.565 -18.839 11.595 1.00 0.00 C ATOM 920 C ILE A 58 -7.740 -20.234 10.998 1.00 0.00 C ATOM 921 O ILE A 58 -7.010 -20.627 10.088 1.00 0.00 O ATOM 922 CB ILE A 58 -6.848 -18.945 12.945 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.473 -17.544 13.434 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.576 -19.785 12.788 1.00 0.00 C ATOM 925 CD1 ILE A 58 -6.006 -17.617 14.888 1.00 0.00 C ATOM 0 H ILE A 58 -9.097 -17.972 12.738 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.967 -18.234 10.913 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.510 -19.421 13.669 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.683 -17.129 12.808 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.331 -16.877 13.350 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.068 -19.859 13.749 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.840 -20.783 12.439 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.914 -19.311 12.063 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.739 -16.619 15.235 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.809 -18.014 15.509 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.136 -18.270 14.958 1.00 0.00 H new ATOM 937 N ALA A 59 -8.713 -20.976 11.513 1.00 0.00 N ATOM 938 CA ALA A 59 -8.975 -22.323 11.021 1.00 0.00 C ATOM 939 C ALA A 59 -9.374 -22.283 9.550 1.00 0.00 C ATOM 940 O ALA A 59 -9.051 -23.191 8.783 1.00 0.00 O ATOM 941 CB ALA A 59 -10.088 -22.975 11.839 1.00 0.00 C ATOM 0 H ALA A 59 -9.330 -20.671 12.266 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.063 -22.912 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.275 -23.981 11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.787 -23.029 12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.998 -22.381 11.754 1.00 0.00 H new ATOM 947 N GLU A 60 -10.081 -21.226 9.165 1.00 0.00 N ATOM 948 CA GLU A 60 -10.523 -21.073 7.783 1.00 0.00 C ATOM 949 C GLU A 60 -9.338 -20.791 6.873 1.00 0.00 C ATOM 950 O GLU A 60 -9.445 -20.891 5.652 1.00 0.00 O ATOM 951 CB GLU A 60 -11.531 -19.929 7.676 1.00 0.00 C ATOM 952 CG GLU A 60 -12.828 -20.327 8.381 1.00 0.00 C ATOM 953 CD GLU A 60 -13.806 -19.157 8.368 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.462 -18.129 7.810 1.00 0.00 O ATOM 955 OE2 GLU A 60 -14.885 -19.308 8.916 1.00 0.00 O ATOM 0 H GLU A 60 -10.359 -20.466 9.786 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.997 -22.003 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.121 -19.025 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.729 -19.701 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.272 -21.189 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.617 -20.625 9.408 1.00 0.00 H new ATOM 962 N HIS A 61 -8.203 -20.440 7.476 1.00 0.00 N ATOM 963 CA HIS A 61 -6.991 -20.149 6.709 1.00 0.00 C ATOM 964 C HIS A 61 -5.780 -20.815 7.358 1.00 0.00 C ATOM 965 O HIS A 61 -4.927 -20.143 7.940 1.00 0.00 O ATOM 966 CB HIS A 61 -6.769 -18.635 6.635 1.00 0.00 C ATOM 967 CG HIS A 61 -5.833 -18.316 5.501 1.00 0.00 C ATOM 968 ND1 HIS A 61 -5.588 -17.018 5.087 1.00 0.00 N ATOM 969 CD2 HIS A 61 -5.080 -19.120 4.683 1.00 0.00 C ATOM 970 CE1 HIS A 61 -4.719 -17.078 4.061 1.00 0.00 C ATOM 971 NE2 HIS A 61 -4.378 -18.337 3.775 1.00 0.00 N ATOM 0 H HIS A 61 -8.097 -20.350 8.486 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.114 -20.544 5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.721 -18.125 6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.354 -18.272 7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.039 -20.198 4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.343 -16.214 3.534 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.739 -18.655 3.046 1.00 0.00 H new ATOM 979 N PRO A 62 -5.695 -22.116 7.269 1.00 0.00 N ATOM 980 CA PRO A 62 -4.567 -22.895 7.861 1.00 0.00 C ATOM 981 C PRO A 62 -3.204 -22.379 7.399 1.00 0.00 C ATOM 982 O PRO A 62 -2.242 -22.361 8.166 1.00 0.00 O ATOM 983 CB PRO A 62 -4.815 -24.331 7.368 1.00 0.00 C ATOM 984 CG PRO A 62 -6.277 -24.392 7.053 1.00 0.00 C ATOM 985 CD PRO A 62 -6.668 -22.990 6.595 1.00 0.00 C ATOM 0 HA PRO A 62 -4.540 -22.816 8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.213 -24.554 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.546 -25.061 8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.478 -25.127 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.853 -24.691 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.609 -22.893 5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.691 -22.746 6.882 1.00 0.00 H new ATOM 993 N THR A 63 -3.133 -21.966 6.138 1.00 0.00 N ATOM 994 CA THR A 63 -1.886 -21.461 5.581 1.00 0.00 C ATOM 995 C THR A 63 -1.533 -20.114 6.199 1.00 0.00 C ATOM 996 O THR A 63 -0.399 -19.649 6.089 1.00 0.00 O ATOM 997 CB THR A 63 -2.009 -21.317 4.061 1.00 0.00 C ATOM 998 OG1 THR A 63 -2.912 -20.265 3.756 1.00 0.00 O ATOM 999 CG2 THR A 63 -2.528 -22.625 3.464 1.00 0.00 C ATOM 0 H THR A 63 -3.919 -21.971 5.487 1.00 0.00 H new ATOM 0 HA THR A 63 -1.092 -22.172 5.811 1.00 0.00 H new ATOM 0 HB THR A 63 -1.031 -21.089 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.588 -19.430 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.615 -22.522 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.833 -23.432 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.506 -22.855 3.887 1.00 0.00 H new ATOM 1007 N SER A 64 -2.513 -19.492 6.846 1.00 0.00 N ATOM 1008 CA SER A 64 -2.298 -18.197 7.481 1.00 0.00 C ATOM 1009 C SER A 64 -2.076 -17.119 6.426 1.00 0.00 C ATOM 1010 O SER A 64 -2.139 -17.388 5.227 1.00 0.00 O ATOM 1011 CB SER A 64 -1.085 -18.269 8.416 1.00 0.00 C ATOM 1012 OG SER A 64 -1.044 -19.551 9.028 1.00 0.00 O ATOM 0 H SER A 64 -3.459 -19.861 6.944 1.00 0.00 H new ATOM 0 HA SER A 64 -3.184 -17.941 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.167 -18.091 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.150 -17.491 9.177 1.00 0.00 H new ATOM 0 HG SER A 64 -0.269 -19.603 9.626 1.00 0.00 H new ATOM 1018 N GLY A 65 -1.812 -15.897 6.882 1.00 0.00 N ATOM 1019 CA GLY A 65 -1.575 -14.775 5.975 1.00 0.00 C ATOM 1020 C GLY A 65 -2.324 -13.534 6.443 1.00 0.00 C ATOM 1021 O GLY A 65 -1.746 -12.647 7.070 1.00 0.00 O ATOM 0 H GLY A 65 -1.757 -15.658 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.507 -14.563 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.896 -15.041 4.968 1.00 0.00 H new ATOM 1025 N ARG A 66 -3.613 -13.479 6.129 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.440 -12.341 6.517 1.00 0.00 C ATOM 1027 C ARG A 66 -4.864 -12.457 7.973 1.00 0.00 C ATOM 1028 O ARG A 66 -5.398 -11.511 8.551 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.681 -12.273 5.624 1.00 0.00 C ATOM 1030 CG ARG A 66 -5.268 -12.204 4.147 1.00 0.00 C ATOM 1031 CD ARG A 66 -4.731 -10.808 3.809 1.00 0.00 C ATOM 1032 NE ARG A 66 -4.545 -10.683 2.370 1.00 0.00 N ATOM 1033 CZ ARG A 66 -3.421 -11.083 1.784 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -2.466 -11.614 2.498 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -3.276 -10.944 0.497 1.00 0.00 N ATOM 0 H ARG A 66 -4.107 -14.205 5.610 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.853 -11.430 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.308 -13.148 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.277 -11.398 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.505 -12.954 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.123 -12.436 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.426 -10.046 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.785 -10.639 4.323 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.291 -10.281 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.582 -11.722 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.603 -11.921 2.048 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.024 -10.529 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.414 -11.250 0.045 1.00 0.00 H new ATOM 1049 N ASN A 67 -4.623 -13.622 8.559 1.00 0.00 N ATOM 1050 CA ASN A 67 -4.985 -13.855 9.949 1.00 0.00 C ATOM 1051 C ASN A 67 -4.219 -12.909 10.867 1.00 0.00 C ATOM 1052 O ASN A 67 -4.763 -12.408 11.849 1.00 0.00 O ATOM 1053 CB ASN A 67 -4.674 -15.300 10.336 1.00 0.00 C ATOM 1054 CG ASN A 67 -5.392 -16.259 9.394 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -5.126 -17.461 9.408 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -6.288 -15.795 8.568 1.00 0.00 N ATOM 0 H ASN A 67 -4.181 -14.416 8.096 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.053 -13.670 10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.599 -15.473 10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.986 -15.485 11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.771 -16.428 7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.506 -14.799 8.559 1.00 0.00 H new ATOM 1063 N GLN A 68 -2.954 -12.669 10.541 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.123 -11.780 11.348 1.00 0.00 C ATOM 1065 C GLN A 68 -2.893 -10.517 11.722 1.00 0.00 C ATOM 1066 O GLN A 68 -2.552 -9.834 12.685 1.00 0.00 O ATOM 1067 CB GLN A 68 -0.861 -11.398 10.572 1.00 0.00 C ATOM 1068 CG GLN A 68 0.043 -12.624 10.430 1.00 0.00 C ATOM 1069 CD GLN A 68 1.267 -12.275 9.591 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.449 -11.119 9.208 1.00 0.00 O ATOM 1071 NE2 GLN A 68 2.122 -13.210 9.282 1.00 0.00 N ATOM 0 H GLN A 68 -2.484 -13.073 9.731 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.844 -12.305 12.261 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.129 -11.015 9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.330 -10.600 11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.354 -12.973 11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.508 -13.440 9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.969 -14.167 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.944 -12.985 8.722 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.934 -10.211 10.955 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.744 -9.027 11.226 1.00 0.00 C ATOM 1082 C ALA A 69 -5.776 -9.318 12.313 1.00 0.00 C ATOM 1083 O ALA A 69 -5.761 -8.702 13.378 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.458 -8.587 9.947 1.00 0.00 C ATOM 0 H ALA A 69 -4.235 -10.759 10.149 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.087 -8.229 11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.062 -7.703 10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.720 -8.352 9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.102 -9.392 9.595 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.669 -10.261 12.035 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.706 -10.629 12.993 1.00 0.00 C ATOM 1092 C LEU A 70 -7.099 -11.255 14.240 1.00 0.00 C ATOM 1093 O LEU A 70 -7.527 -10.971 15.357 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.688 -11.610 12.350 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.526 -10.881 11.289 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.237 -11.912 10.407 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.577 -9.967 11.960 1.00 0.00 C ATOM 0 H LEU A 70 -6.697 -10.783 11.159 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.236 -9.722 13.285 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.144 -12.437 11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.340 -12.039 13.111 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.863 -10.265 10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.832 -11.397 9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.496 -12.543 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.889 -12.531 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.161 -9.459 11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.240 -10.570 12.581 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.072 -9.227 12.581 1.00 0.00 H new ATOM 1109 N THR A 71 -6.105 -12.111 14.040 1.00 0.00 N ATOM 1110 CA THR A 71 -5.451 -12.783 15.153 1.00 0.00 C ATOM 1111 C THR A 71 -4.833 -11.769 16.107 1.00 0.00 C ATOM 1112 O THR A 71 -4.973 -11.884 17.325 1.00 0.00 O ATOM 1113 CB THR A 71 -4.360 -13.719 14.627 1.00 0.00 C ATOM 1114 OG1 THR A 71 -4.954 -14.725 13.817 1.00 0.00 O ATOM 1115 CG2 THR A 71 -3.636 -14.370 15.805 1.00 0.00 C ATOM 0 H THR A 71 -5.736 -12.355 13.121 1.00 0.00 H new ATOM 0 HA THR A 71 -6.201 -13.361 15.693 1.00 0.00 H new ATOM 0 HB THR A 71 -3.644 -13.150 14.034 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.258 -15.325 13.477 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.859 -15.037 15.431 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.183 -13.597 16.426 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.349 -14.941 16.400 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.156 -10.776 15.553 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.527 -9.746 16.368 1.00 0.00 C ATOM 1125 C GLN A 72 -4.577 -8.944 17.128 1.00 0.00 C ATOM 1126 O GLN A 72 -4.298 -8.392 18.192 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.706 -8.808 15.476 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.369 -9.468 15.122 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.608 -8.607 14.120 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -1.217 -7.905 13.312 1.00 0.00 O ATOM 1131 NE2 GLN A 72 0.697 -8.624 14.119 1.00 0.00 N ATOM 0 H GLN A 72 -4.028 -10.660 14.548 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.870 -10.230 17.090 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.261 -8.578 14.566 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.531 -7.863 15.990 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.772 -9.604 16.024 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.544 -10.459 14.703 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.200 -9.206 14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.214 -8.055 13.448 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.777 -8.869 16.570 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.847 -8.114 17.205 1.00 0.00 C ATOM 1142 C LEU A 73 -7.177 -8.716 18.572 1.00 0.00 C ATOM 1143 O LEU A 73 -7.377 -7.996 19.551 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.099 -8.125 16.302 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.880 -6.820 16.468 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -10.104 -6.834 15.546 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.320 -6.658 17.932 1.00 0.00 C ATOM 0 H LEU A 73 -6.032 -9.316 15.689 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.520 -7.084 17.348 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.804 -8.251 15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.734 -8.973 16.558 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.241 -5.979 16.199 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.660 -5.904 15.665 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.778 -6.932 14.510 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.746 -7.676 15.806 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.876 -5.727 18.044 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.956 -7.497 18.216 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.441 -6.635 18.576 1.00 0.00 H new ATOM 1159 N LYS A 74 -7.227 -10.040 18.631 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.530 -10.723 19.883 1.00 0.00 C ATOM 1161 C LYS A 74 -6.489 -10.386 20.944 1.00 0.00 C ATOM 1162 O LYS A 74 -6.832 -10.062 22.081 1.00 0.00 O ATOM 1163 CB LYS A 74 -7.560 -12.236 19.658 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.885 -12.947 20.975 1.00 0.00 C ATOM 1165 CD LYS A 74 -7.992 -14.451 20.731 1.00 0.00 C ATOM 1166 CE LYS A 74 -8.335 -15.152 22.046 1.00 0.00 C ATOM 1167 NZ LYS A 74 -7.186 -15.028 22.989 1.00 0.00 N ATOM 0 H LYS A 74 -7.064 -10.658 17.836 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.507 -10.387 20.230 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.307 -12.487 18.904 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.597 -12.576 19.278 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.109 -12.742 21.712 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.821 -12.567 21.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.760 -14.656 19.985 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.052 -14.835 20.335 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.229 -14.709 22.485 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.558 -16.203 21.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.278 -15.738 23.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.296 -15.183 22.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.182 -14.076 23.408 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.221 -10.469 20.567 1.00 0.00 N ATOM 1182 CA GLU A 75 -4.139 -10.179 21.497 1.00 0.00 C ATOM 1183 C GLU A 75 -4.230 -8.739 21.987 1.00 0.00 C ATOM 1184 O GLU A 75 -3.898 -8.443 23.136 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.786 -10.404 20.816 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.600 -11.896 20.525 1.00 0.00 C ATOM 1187 CD GLU A 75 -1.288 -12.122 19.781 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -0.603 -11.149 19.518 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -0.987 -13.268 19.487 1.00 0.00 O ATOM 0 H GLU A 75 -4.917 -10.733 19.630 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.229 -10.850 22.351 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.735 -9.833 19.889 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.981 -10.045 21.457 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.601 -12.460 21.458 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.434 -12.266 19.929 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.678 -7.845 21.111 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.802 -6.440 21.477 1.00 0.00 C ATOM 1198 C GLN A 76 -5.836 -6.265 22.585 1.00 0.00 C ATOM 1199 O GLN A 76 -5.538 -5.713 23.643 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.224 -5.626 20.252 1.00 0.00 C ATOM 1201 CG GLN A 76 -5.196 -4.134 20.590 1.00 0.00 C ATOM 1202 CD GLN A 76 -5.627 -3.315 19.380 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -6.764 -3.433 18.923 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -4.783 -2.486 18.830 1.00 0.00 N ATOM 0 H GLN A 76 -4.958 -8.065 20.155 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.836 -6.087 21.839 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.554 -5.832 19.418 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.225 -5.919 19.936 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.859 -3.931 21.431 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.192 -3.842 20.898 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.841 -2.390 19.210 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.065 -1.934 18.020 1.00 0.00 H new ATOM 1213 N VAL A 77 -7.050 -6.748 22.337 1.00 0.00 N ATOM 1214 CA VAL A 77 -8.118 -6.646 23.325 1.00 0.00 C ATOM 1215 C VAL A 77 -7.748 -7.416 24.588 1.00 0.00 C ATOM 1216 O VAL A 77 -7.932 -6.928 25.702 1.00 0.00 O ATOM 1217 CB VAL A 77 -9.424 -7.194 22.746 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -10.507 -7.187 23.827 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.870 -6.313 21.576 1.00 0.00 C ATOM 0 H VAL A 77 -7.317 -7.210 21.468 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.255 -5.595 23.581 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.266 -8.214 22.397 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.437 -7.578 23.413 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.191 -7.812 24.663 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.666 -6.167 24.176 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.800 -6.702 21.162 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.027 -5.293 21.928 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.100 -6.316 20.804 1.00 0.00 H new ATOM 1229 N THR A 78 -7.227 -8.625 24.403 1.00 0.00 N ATOM 1230 CA THR A 78 -6.835 -9.463 25.530 1.00 0.00 C ATOM 1231 C THR A 78 -5.763 -8.771 26.368 1.00 0.00 C ATOM 1232 O THR A 78 -5.815 -8.789 27.597 1.00 0.00 O ATOM 1233 CB THR A 78 -6.304 -10.807 25.026 1.00 0.00 C ATOM 1234 OG1 THR A 78 -7.219 -11.352 24.086 1.00 0.00 O ATOM 1235 CG2 THR A 78 -6.148 -11.770 26.204 1.00 0.00 C ATOM 0 H THR A 78 -7.067 -9.045 23.487 1.00 0.00 H new ATOM 0 HA THR A 78 -7.713 -9.632 26.153 1.00 0.00 H new ATOM 0 HB THR A 78 -5.335 -10.660 24.549 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.921 -11.138 23.177 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.770 -12.727 25.844 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.447 -11.351 26.926 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.116 -11.919 26.683 1.00 0.00 H new ATOM 1243 N SER A 79 -4.794 -8.165 25.692 1.00 0.00 N ATOM 1244 CA SER A 79 -3.712 -7.472 26.379 1.00 0.00 C ATOM 1245 C SER A 79 -4.262 -6.317 27.209 1.00 0.00 C ATOM 1246 O SER A 79 -3.803 -6.068 28.323 1.00 0.00 O ATOM 1247 CB SER A 79 -2.702 -6.938 25.363 1.00 0.00 C ATOM 1248 OG SER A 79 -1.630 -6.308 26.052 1.00 0.00 O ATOM 0 H SER A 79 -4.736 -8.140 24.674 1.00 0.00 H new ATOM 0 HA SER A 79 -3.215 -8.180 27.043 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.324 -7.753 24.746 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.185 -6.228 24.692 1.00 0.00 H new ATOM 0 HG SER A 79 -0.980 -5.966 25.403 1.00 0.00 H new ATOM 1254 N ALA A 80 -5.244 -5.612 26.657 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.845 -4.484 27.357 1.00 0.00 C ATOM 1256 C ALA A 80 -6.361 -4.916 28.724 1.00 0.00 C ATOM 1257 O ALA A 80 -6.212 -4.195 29.710 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.998 -3.911 26.530 1.00 0.00 C ATOM 0 H ALA A 80 -5.638 -5.800 25.735 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.082 -3.718 27.496 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.442 -3.068 27.060 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.621 -3.574 25.564 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.753 -4.682 26.376 1.00 0.00 H new ATOM 1264 N LEU A 81 -6.964 -6.098 28.778 1.00 0.00 N ATOM 1265 CA LEU A 81 -7.491 -6.616 30.036 1.00 0.00 C ATOM 1266 C LEU A 81 -6.361 -6.909 31.015 1.00 0.00 C ATOM 1267 O LEU A 81 -6.533 -6.797 32.228 1.00 0.00 O ATOM 1268 CB LEU A 81 -8.286 -7.894 29.774 1.00 0.00 C ATOM 1269 CG LEU A 81 -9.361 -7.618 28.722 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -10.104 -8.921 28.400 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -10.361 -6.571 29.252 1.00 0.00 C ATOM 0 H LEU A 81 -7.100 -6.711 27.974 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.144 -5.861 30.474 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.620 -8.685 29.430 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.747 -8.244 30.698 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.888 -7.232 27.819 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.871 -8.727 27.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.398 -9.657 28.015 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.572 -9.307 29.306 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.123 -6.381 28.496 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.835 -6.947 30.159 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.833 -5.644 29.476 1.00 0.00 H new