USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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: B 5 LYS NZ :NH3+ 164:sc= -0.124 (180deg=-0.207) USER MOD Set 1.2: B 8 ASN : amide:sc= -1.28 K(o=-1.4,f=-4.3!) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -0.0278 (180deg=-0.193) USER MOD Single : A 8 ASN : amide:sc= -0.632 K(o=-0.63,f=-3.9!) USER MOD Single : A 9 ASN : amide:sc= -5.84! K(o=-5.8!,f=-0.29) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.4! K(o=-4.4!,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= -0.128 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 160:sc= -0.0377 USER MOD Single : A 28 MET CE :methyl -167:sc= 0 (180deg=-0.294) USER MOD Single : A 31 LYS NZ :NH3+ -124:sc= 0.97 (180deg=-0.279) USER MOD Single : A 37 ASN : amide:sc= -3.02! C(o=-3!,f=-5.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -6.99! K(o=-7!,f=-0.55) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -5.43! K(o=-5.4!,f=-1.1) USER MOD Single : B 20 SER OG : rot 180:sc= -0.126 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 131:sc= 0.142 (180deg=-0.134) USER MOD Single : B 37 ASN : amide:sc= -1.57! C(o=-1.6!,f=-2.8!) USER MOD Single : B 44 SER OG : rot -128:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.584 3.704 2.307 1.00 0.00 N ATOM 13 CA GLU A 2 4.534 2.668 3.328 1.00 0.00 C ATOM 14 C GLU A 2 4.234 1.308 2.706 1.00 0.00 C ATOM 15 O GLU A 2 4.600 0.274 3.255 1.00 0.00 O ATOM 16 CB GLU A 2 3.483 3.004 4.388 1.00 0.00 C ATOM 17 CG GLU A 2 3.396 1.974 5.503 1.00 0.00 C ATOM 18 CD GLU A 2 2.408 2.364 6.584 1.00 0.00 C ATOM 19 OE1 GLU A 2 2.613 3.416 7.223 1.00 0.00 O ATOM 20 OE2 GLU A 2 1.428 1.618 6.791 1.00 0.00 O ATOM 0 HA GLU A 2 5.512 2.622 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.713 3.978 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.509 3.091 3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.106 1.012 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.382 1.842 5.948 1.00 0.00 H new ATOM 27 N ALA A 3 3.579 1.324 1.550 1.00 0.00 N ATOM 28 CA ALA A 3 3.240 0.095 0.842 1.00 0.00 C ATOM 29 C ALA A 3 4.432 -0.365 0.029 1.00 0.00 C ATOM 30 O ALA A 3 4.556 -1.529 -0.339 1.00 0.00 O ATOM 31 CB ALA A 3 2.027 0.307 -0.050 1.00 0.00 C ATOM 0 H ALA A 3 3.272 2.177 1.083 1.00 0.00 H new ATOM 0 HA ALA A 3 2.987 -0.677 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.791 -0.622 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.175 0.609 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.244 1.086 -0.781 1.00 0.00 H new ATOM 37 N LEU A 4 5.305 0.580 -0.238 1.00 0.00 N ATOM 38 CA LEU A 4 6.509 0.332 -0.991 1.00 0.00 C ATOM 39 C LEU A 4 7.576 -0.241 -0.069 1.00 0.00 C ATOM 40 O LEU A 4 8.242 -1.224 -0.388 1.00 0.00 O ATOM 41 CB LEU A 4 6.979 1.652 -1.582 1.00 0.00 C ATOM 42 CG LEU A 4 5.866 2.546 -2.132 1.00 0.00 C ATOM 43 CD1 LEU A 4 6.466 3.754 -2.826 1.00 0.00 C ATOM 44 CD2 LEU A 4 4.947 1.776 -3.069 1.00 0.00 C ATOM 0 H LEU A 4 5.197 1.548 0.064 1.00 0.00 H new ATOM 0 HA LEU A 4 6.320 -0.385 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.522 2.204 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.686 1.442 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 4 5.258 2.890 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.666 4.385 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.064 4.323 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.100 3.423 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.168 2.441 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.525 1.388 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.489 0.947 -2.530 1.00 0.00 H new ATOM 56 N LYS A 5 7.717 0.400 1.085 1.00 0.00 N ATOM 57 CA LYS A 5 8.683 0.001 2.097 1.00 0.00 C ATOM 58 C LYS A 5 8.171 -1.185 2.916 1.00 0.00 C ATOM 59 O LYS A 5 8.964 -1.938 3.480 1.00 0.00 O ATOM 60 CB LYS A 5 9.000 1.195 3.006 1.00 0.00 C ATOM 61 CG LYS A 5 10.085 0.923 4.035 1.00 0.00 C ATOM 62 CD LYS A 5 9.532 0.205 5.253 1.00 0.00 C ATOM 63 CE LYS A 5 10.623 -0.097 6.268 1.00 0.00 C ATOM 64 NZ LYS A 5 11.288 1.141 6.755 1.00 0.00 N ATOM 0 H LYS A 5 7.161 1.215 1.345 1.00 0.00 H new ATOM 0 HA LYS A 5 9.597 -0.319 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.306 2.038 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.089 1.494 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.873 0.320 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.540 1.865 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.761 0.819 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.055 -0.725 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.193 -0.634 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.366 -0.754 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.876 0.917 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.887 1.533 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.566 1.841 7.022 1.00 0.00 H new ATOM 78 N ILE A 6 6.848 -1.359 2.973 1.00 0.00 N ATOM 79 CA ILE A 6 6.264 -2.460 3.721 1.00 0.00 C ATOM 80 C ILE A 6 6.897 -3.758 3.270 1.00 0.00 C ATOM 81 O ILE A 6 7.287 -4.599 4.077 1.00 0.00 O ATOM 82 CB ILE A 6 4.741 -2.554 3.491 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.130 -3.634 4.383 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.446 -2.854 2.032 1.00 0.00 C ATOM 85 CD1 ILE A 6 2.702 -3.963 4.022 1.00 0.00 C ATOM 0 H ILE A 6 6.170 -0.753 2.511 1.00 0.00 H new ATOM 0 HA ILE A 6 6.448 -2.282 4.781 1.00 0.00 H new ATOM 0 HB ILE A 6 4.294 -1.594 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.734 -4.539 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.169 -3.304 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.368 -2.918 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.851 -2.058 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.907 -3.802 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.326 -4.736 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.087 -3.068 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.660 -4.322 2.994 1.00 0.00 H new ATOM 97 N LEU A 7 6.999 -3.890 1.960 1.00 0.00 N ATOM 98 CA LEU A 7 7.588 -5.054 1.352 1.00 0.00 C ATOM 99 C LEU A 7 8.980 -4.701 0.842 1.00 0.00 C ATOM 100 O LEU A 7 9.732 -5.565 0.394 1.00 0.00 O ATOM 101 CB LEU A 7 6.677 -5.555 0.221 1.00 0.00 C ATOM 102 CG LEU A 7 7.174 -5.316 -1.207 1.00 0.00 C ATOM 103 CD1 LEU A 7 7.990 -6.503 -1.692 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.005 -5.054 -2.139 1.00 0.00 C ATOM 0 H LEU A 7 6.674 -3.190 1.294 1.00 0.00 H new ATOM 0 HA LEU A 7 7.688 -5.858 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.523 -6.626 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.703 -5.077 0.329 1.00 0.00 H new ATOM 0 HG LEU A 7 7.817 -4.436 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.335 -6.316 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.850 -6.645 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.371 -7.400 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.376 -4.886 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.337 -5.915 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.461 -4.172 -1.801 1.00 0.00 H new ATOM 116 N ASN A 8 9.304 -3.407 0.914 1.00 0.00 N ATOM 117 CA ASN A 8 10.598 -2.913 0.455 1.00 0.00 C ATOM 118 C ASN A 8 10.750 -3.165 -1.041 1.00 0.00 C ATOM 119 O ASN A 8 11.858 -3.366 -1.537 1.00 0.00 O ATOM 120 CB ASN A 8 11.741 -3.590 1.219 1.00 0.00 C ATOM 121 CG ASN A 8 11.630 -3.404 2.719 1.00 0.00 C ATOM 122 OD1 ASN A 8 10.671 -3.860 3.343 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.613 -2.733 3.306 1.00 0.00 N ATOM 0 H ASN A 8 8.686 -2.686 1.286 1.00 0.00 H new ATOM 0 HA ASN A 8 10.645 -1.841 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.747 -4.655 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.693 -3.185 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.593 -2.577 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.388 -2.373 2.749 1.00 0.00 H new ATOM 130 N ASN A 9 9.620 -3.152 -1.745 1.00 0.00 N ATOM 131 CA ASN A 9 9.596 -3.382 -3.185 1.00 0.00 C ATOM 132 C ASN A 9 10.121 -4.777 -3.524 1.00 0.00 C ATOM 133 O ASN A 9 11.192 -5.178 -3.070 1.00 0.00 O ATOM 134 CB ASN A 9 10.418 -2.316 -3.913 1.00 0.00 C ATOM 135 CG ASN A 9 9.894 -0.903 -3.702 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.459 0.057 -4.225 1.00 0.00 O ATOM 137 ND2 ASN A 9 8.811 -0.757 -2.938 1.00 0.00 N ATOM 0 H ASN A 9 8.701 -2.983 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 9 8.561 -3.315 -3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.452 -2.368 -3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.424 -2.538 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.426 0.173 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.368 -1.575 -2.520 1.00 0.00 H new ATOM 144 N ILE A 10 9.355 -5.514 -4.324 1.00 0.00 N ATOM 145 CA ILE A 10 9.736 -6.867 -4.724 1.00 0.00 C ATOM 146 C ILE A 10 11.136 -6.901 -5.330 1.00 0.00 C ATOM 147 O ILE A 10 11.787 -7.942 -5.332 1.00 0.00 O ATOM 148 CB ILE A 10 8.733 -7.480 -5.722 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.705 -6.691 -7.039 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.349 -7.547 -5.094 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.149 -5.288 -6.913 1.00 0.00 C ATOM 0 H ILE A 10 8.465 -5.197 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 10 9.729 -7.465 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 10 9.057 -8.493 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.718 -6.633 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.109 -7.242 -7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.647 -7.981 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.386 -8.166 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.021 -6.542 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.165 -4.801 -7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.123 -5.335 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.758 -4.717 -6.212 1.00 0.00 H new ATOM 163 N ARG A 11 11.600 -5.764 -5.842 1.00 0.00 N ATOM 164 CA ARG A 11 12.931 -5.687 -6.440 1.00 0.00 C ATOM 165 C ARG A 11 14.015 -5.916 -5.386 1.00 0.00 C ATOM 166 O ARG A 11 14.899 -6.758 -5.559 1.00 0.00 O ATOM 167 CB ARG A 11 13.134 -4.332 -7.124 1.00 0.00 C ATOM 168 CG ARG A 11 12.890 -3.142 -6.211 1.00 0.00 C ATOM 169 CD ARG A 11 13.144 -1.826 -6.928 1.00 0.00 C ATOM 170 NE ARG A 11 12.312 -1.682 -8.119 1.00 0.00 N ATOM 171 CZ ARG A 11 12.349 -0.619 -8.918 1.00 0.00 C ATOM 172 NH1 ARG A 11 13.167 0.389 -8.649 1.00 0.00 N ATOM 173 NH2 ARG A 11 11.566 -0.564 -9.988 1.00 0.00 N ATOM 0 H ARG A 11 11.078 -4.888 -5.855 1.00 0.00 H new ATOM 0 HA ARG A 11 13.011 -6.473 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.152 -4.279 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.464 -4.264 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.863 -3.166 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.539 -3.213 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.948 -0.998 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.195 -1.764 -7.210 1.00 0.00 H new ATOM 0 HE ARG A 11 11.667 -2.438 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.770 0.351 -7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.193 1.203 -9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.935 -1.337 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.595 0.252 -10.600 1.00 0.00 H new ATOM 187 N THR A 12 13.935 -5.169 -4.289 1.00 0.00 N ATOM 188 CA THR A 12 14.901 -5.296 -3.205 1.00 0.00 C ATOM 189 C THR A 12 14.682 -6.598 -2.445 1.00 0.00 C ATOM 190 O THR A 12 15.634 -7.262 -2.027 1.00 0.00 O ATOM 191 CB THR A 12 14.807 -4.113 -2.222 1.00 0.00 C ATOM 192 OG1 THR A 12 15.069 -2.885 -2.909 1.00 0.00 O ATOM 193 CG2 THR A 12 15.794 -4.276 -1.076 1.00 0.00 C ATOM 0 H THR A 12 13.210 -4.469 -4.128 1.00 0.00 H new ATOM 0 HA THR A 12 15.894 -5.296 -3.655 1.00 0.00 H new ATOM 0 HB THR A 12 13.798 -4.094 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.006 -2.137 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.707 -3.428 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.575 -5.197 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.808 -4.320 -1.473 1.00 0.00 H new ATOM 201 N LEU A 13 13.413 -6.958 -2.273 1.00 0.00 N ATOM 202 CA LEU A 13 13.055 -8.178 -1.568 1.00 0.00 C ATOM 203 C LEU A 13 13.566 -9.400 -2.321 1.00 0.00 C ATOM 204 O LEU A 13 14.223 -10.260 -1.745 1.00 0.00 O ATOM 205 CB LEU A 13 11.536 -8.262 -1.386 1.00 0.00 C ATOM 206 CG LEU A 13 11.042 -9.449 -0.553 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.581 -9.266 -0.178 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.241 -10.759 -1.303 1.00 0.00 C ATOM 0 H LEU A 13 12.617 -6.419 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 13 13.524 -8.158 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.191 -7.341 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.071 -8.311 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 13 11.632 -9.489 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.248 -10.119 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.467 -8.353 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.979 -9.195 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.883 -11.587 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.682 -10.731 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.301 -10.898 -1.517 1.00 0.00 H new ATOM 220 N ARG A 14 13.252 -9.465 -3.610 1.00 0.00 N ATOM 221 CA ARG A 14 13.669 -10.579 -4.457 1.00 0.00 C ATOM 222 C ARG A 14 15.139 -10.905 -4.240 1.00 0.00 C ATOM 223 O ARG A 14 15.555 -12.057 -4.347 1.00 0.00 O ATOM 224 CB ARG A 14 13.432 -10.233 -5.931 1.00 0.00 C ATOM 225 CG ARG A 14 13.795 -11.352 -6.894 1.00 0.00 C ATOM 226 CD ARG A 14 12.907 -12.567 -6.693 1.00 0.00 C ATOM 227 NE ARG A 14 13.215 -13.639 -7.637 1.00 0.00 N ATOM 228 CZ ARG A 14 14.385 -14.272 -7.683 1.00 0.00 C ATOM 229 NH1 ARG A 14 15.351 -13.953 -6.833 1.00 0.00 N ATOM 230 NH2 ARG A 14 14.585 -15.229 -8.579 1.00 0.00 N ATOM 0 H ARG A 14 12.706 -8.754 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 14 13.076 -11.453 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.382 -9.975 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.014 -9.347 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.700 -10.996 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.838 -11.634 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.026 -12.937 -5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.863 -12.274 -6.806 1.00 0.00 H new ATOM 0 HE ARG A 14 12.491 -13.918 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.199 -13.220 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.246 -14.441 -6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.843 -15.479 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.481 -15.715 -8.615 1.00 0.00 H new ATOM 244 N ALA A 15 15.920 -9.874 -3.945 1.00 0.00 N ATOM 245 CA ALA A 15 17.352 -10.028 -3.722 1.00 0.00 C ATOM 246 C ALA A 15 17.668 -10.510 -2.313 1.00 0.00 C ATOM 247 O ALA A 15 18.432 -11.458 -2.131 1.00 0.00 O ATOM 248 CB ALA A 15 18.060 -8.715 -3.976 1.00 0.00 C ATOM 0 H ALA A 15 15.583 -8.916 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 15 17.707 -10.786 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.130 -8.840 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.889 -8.403 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.672 -7.955 -3.298 1.00 0.00 H new ATOM 254 N GLN A 16 17.089 -9.851 -1.316 1.00 0.00 N ATOM 255 CA GLN A 16 17.334 -10.228 0.075 1.00 0.00 C ATOM 256 C GLN A 16 16.776 -11.616 0.336 1.00 0.00 C ATOM 257 O GLN A 16 17.327 -12.396 1.114 1.00 0.00 O ATOM 258 CB GLN A 16 16.701 -9.216 1.034 1.00 0.00 C ATOM 259 CG GLN A 16 15.190 -9.138 0.920 1.00 0.00 C ATOM 260 CD GLN A 16 14.575 -8.117 1.860 1.00 0.00 C ATOM 261 OE1 GLN A 16 14.722 -8.210 3.078 1.00 0.00 O ATOM 262 NE2 GLN A 16 13.882 -7.135 1.295 1.00 0.00 N ATOM 0 H GLN A 16 16.454 -9.062 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 16 18.410 -10.233 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.967 -9.481 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.124 -8.230 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.921 -8.887 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.764 -10.119 1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.786 -7.097 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.446 -6.419 1.876 1.00 0.00 H new ATOM 271 N ALA A 17 15.679 -11.908 -0.341 1.00 0.00 N ATOM 272 CA ALA A 17 15.013 -13.191 -0.231 1.00 0.00 C ATOM 273 C ALA A 17 15.622 -14.190 -1.194 1.00 0.00 C ATOM 274 O ALA A 17 15.466 -15.396 -1.025 1.00 0.00 O ATOM 275 CB ALA A 17 13.527 -13.047 -0.482 1.00 0.00 C ATOM 0 H ALA A 17 15.225 -11.259 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 17 15.152 -13.562 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.047 -14.022 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.099 -12.364 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.364 -12.651 -1.484 1.00 0.00 H new ATOM 281 N ARG A 18 16.319 -13.677 -2.208 1.00 0.00 N ATOM 282 CA ARG A 18 16.963 -14.531 -3.196 1.00 0.00 C ATOM 283 C ARG A 18 17.678 -15.679 -2.496 1.00 0.00 C ATOM 284 O ARG A 18 17.799 -16.780 -3.033 1.00 0.00 O ATOM 285 CB ARG A 18 17.951 -13.710 -4.016 1.00 0.00 C ATOM 286 CG ARG A 18 18.642 -14.487 -5.118 1.00 0.00 C ATOM 287 CD ARG A 18 19.523 -13.569 -5.942 1.00 0.00 C ATOM 288 NE ARG A 18 20.211 -14.277 -7.018 1.00 0.00 N ATOM 289 CZ ARG A 18 21.116 -15.231 -6.817 1.00 0.00 C ATOM 290 NH1 ARG A 18 21.455 -15.582 -5.585 1.00 0.00 N ATOM 291 NH2 ARG A 18 21.685 -15.833 -7.853 1.00 0.00 N ATOM 0 H ARG A 18 16.450 -12.677 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 18 16.209 -14.945 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.424 -12.865 -4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.708 -13.299 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.244 -15.286 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.898 -14.959 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.914 -12.771 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.260 -13.097 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 18 19.984 -14.025 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.021 -15.120 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.149 -16.314 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.429 -15.564 -8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.379 -16.565 -7.700 1.00 0.00 H new ATOM 305 N GLU A 19 18.130 -15.405 -1.277 1.00 0.00 N ATOM 306 CA GLU A 19 18.816 -16.401 -0.465 1.00 0.00 C ATOM 307 C GLU A 19 17.993 -16.719 0.782 1.00 0.00 C ATOM 308 O GLU A 19 18.520 -16.777 1.893 1.00 0.00 O ATOM 309 CB GLU A 19 20.208 -15.900 -0.069 1.00 0.00 C ATOM 310 CG GLU A 19 20.189 -14.585 0.694 1.00 0.00 C ATOM 311 CD GLU A 19 21.577 -14.113 1.079 1.00 0.00 C ATOM 312 OE1 GLU A 19 22.273 -14.850 1.808 1.00 0.00 O ATOM 313 OE2 GLU A 19 21.969 -13.009 0.650 1.00 0.00 O ATOM 0 H GLU A 19 18.032 -14.494 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 19 18.930 -17.312 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.697 -16.658 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.811 -15.779 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.706 -13.822 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.586 -14.701 1.595 1.00 0.00 H new ATOM 320 N SER A 20 16.690 -16.913 0.584 1.00 0.00 N ATOM 321 CA SER A 20 15.778 -17.209 1.683 1.00 0.00 C ATOM 322 C SER A 20 14.416 -17.663 1.161 1.00 0.00 C ATOM 323 O SER A 20 14.087 -17.470 -0.009 1.00 0.00 O ATOM 324 CB SER A 20 15.608 -15.979 2.578 1.00 0.00 C ATOM 325 OG SER A 20 14.726 -16.249 3.653 1.00 0.00 O ATOM 0 H SER A 20 16.243 -16.870 -0.332 1.00 0.00 H new ATOM 0 HA SER A 20 16.210 -18.021 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.578 -15.672 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.224 -15.147 1.988 1.00 0.00 H new ATOM 0 HG SER A 20 14.635 -15.448 4.211 1.00 0.00 H new ATOM 331 N THR A 21 13.632 -18.269 2.045 1.00 0.00 N ATOM 332 CA THR A 21 12.301 -18.764 1.702 1.00 0.00 C ATOM 333 C THR A 21 11.340 -17.612 1.419 1.00 0.00 C ATOM 334 O THR A 21 11.537 -16.497 1.900 1.00 0.00 O ATOM 335 CB THR A 21 11.725 -19.640 2.833 1.00 0.00 C ATOM 336 OG1 THR A 21 12.631 -20.710 3.131 1.00 0.00 O ATOM 337 CG2 THR A 21 10.371 -20.216 2.446 1.00 0.00 C ATOM 0 H THR A 21 13.898 -18.431 3.016 1.00 0.00 H new ATOM 0 HA THR A 21 12.407 -19.369 0.801 1.00 0.00 H new ATOM 0 HB THR A 21 11.594 -19.011 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.260 -21.262 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.990 -20.829 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.673 -19.403 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.479 -20.829 1.551 1.00 0.00 H new ATOM 345 N LEU A 22 10.296 -17.889 0.637 1.00 0.00 N ATOM 346 CA LEU A 22 9.308 -16.883 0.296 1.00 0.00 C ATOM 347 C LEU A 22 8.634 -16.348 1.550 1.00 0.00 C ATOM 348 O LEU A 22 7.936 -15.353 1.495 1.00 0.00 O ATOM 349 CB LEU A 22 8.263 -17.429 -0.683 1.00 0.00 C ATOM 350 CG LEU A 22 6.921 -17.826 -0.072 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.908 -18.093 -1.170 1.00 0.00 C ATOM 352 CD2 LEU A 22 7.065 -19.035 0.834 1.00 0.00 C ATOM 0 H LEU A 22 10.119 -18.807 0.230 1.00 0.00 H new ATOM 0 HA LEU A 22 9.829 -16.063 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.083 -16.675 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.684 -18.300 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 22 6.565 -16.997 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.954 -18.375 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.776 -17.193 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.265 -18.903 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.093 -19.293 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.447 -19.878 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.759 -18.804 1.642 1.00 0.00 H new ATOM 364 N GLU A 23 8.828 -17.026 2.678 1.00 0.00 N ATOM 365 CA GLU A 23 8.216 -16.608 3.940 1.00 0.00 C ATOM 366 C GLU A 23 8.249 -15.089 4.080 1.00 0.00 C ATOM 367 O GLU A 23 7.409 -14.500 4.765 1.00 0.00 O ATOM 368 CB GLU A 23 8.931 -17.274 5.121 1.00 0.00 C ATOM 369 CG GLU A 23 10.420 -16.966 5.211 1.00 0.00 C ATOM 370 CD GLU A 23 10.710 -15.540 5.637 1.00 0.00 C ATOM 371 OE1 GLU A 23 10.250 -15.140 6.727 1.00 0.00 O ATOM 372 OE2 GLU A 23 11.402 -14.825 4.883 1.00 0.00 O ATOM 0 H GLU A 23 9.403 -17.866 2.746 1.00 0.00 H new ATOM 0 HA GLU A 23 7.173 -16.925 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.450 -16.957 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.800 -18.354 5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.884 -17.652 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.882 -17.150 4.241 1.00 0.00 H new ATOM 379 N THR A 24 9.202 -14.460 3.398 1.00 0.00 N ATOM 380 CA THR A 24 9.320 -13.009 3.408 1.00 0.00 C ATOM 381 C THR A 24 7.983 -12.380 3.031 1.00 0.00 C ATOM 382 O THR A 24 7.559 -11.394 3.633 1.00 0.00 O ATOM 383 CB THR A 24 10.414 -12.519 2.441 1.00 0.00 C ATOM 384 OG1 THR A 24 10.429 -11.088 2.400 1.00 0.00 O ATOM 385 CG2 THR A 24 10.190 -13.071 1.042 1.00 0.00 C ATOM 0 H THR A 24 9.904 -14.935 2.831 1.00 0.00 H new ATOM 0 HA THR A 24 9.603 -12.705 4.416 1.00 0.00 H new ATOM 0 HB THR A 24 11.376 -12.880 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.294 -10.780 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.976 -12.710 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.213 -14.160 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.221 -12.739 0.671 1.00 0.00 H new ATOM 393 N LEU A 25 7.308 -12.973 2.045 1.00 0.00 N ATOM 394 CA LEU A 25 6.006 -12.483 1.627 1.00 0.00 C ATOM 395 C LEU A 25 4.981 -12.740 2.720 1.00 0.00 C ATOM 396 O LEU A 25 4.180 -11.876 3.051 1.00 0.00 O ATOM 397 CB LEU A 25 5.548 -13.093 0.291 1.00 0.00 C ATOM 398 CG LEU A 25 5.758 -14.601 0.077 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.948 -15.436 1.054 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.381 -14.970 -1.346 1.00 0.00 C ATOM 0 H LEU A 25 7.643 -13.786 1.528 1.00 0.00 H new ATOM 0 HA LEU A 25 6.096 -11.409 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.484 -12.884 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.065 -12.567 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 25 6.811 -14.817 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.128 -16.494 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.246 -15.194 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.887 -15.220 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.530 -16.039 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.334 -14.722 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.007 -14.415 -2.044 1.00 0.00 H new ATOM 412 N GLU A 26 5.023 -13.922 3.312 1.00 0.00 N ATOM 413 CA GLU A 26 4.104 -14.234 4.382 1.00 0.00 C ATOM 414 C GLU A 26 4.277 -13.201 5.482 1.00 0.00 C ATOM 415 O GLU A 26 3.366 -12.940 6.264 1.00 0.00 O ATOM 416 CB GLU A 26 4.330 -15.655 4.902 1.00 0.00 C ATOM 417 CG GLU A 26 3.571 -15.973 6.181 1.00 0.00 C ATOM 418 CD GLU A 26 3.816 -17.386 6.668 1.00 0.00 C ATOM 419 OE1 GLU A 26 3.511 -18.335 5.916 1.00 0.00 O ATOM 420 OE2 GLU A 26 4.314 -17.544 7.802 1.00 0.00 O ATOM 0 H GLU A 26 5.675 -14.668 3.071 1.00 0.00 H new ATOM 0 HA GLU A 26 3.079 -14.197 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.034 -16.365 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.396 -15.801 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.866 -15.268 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.504 -15.831 6.010 1.00 0.00 H new ATOM 427 N GLU A 27 5.458 -12.593 5.506 1.00 0.00 N ATOM 428 CA GLU A 27 5.763 -11.559 6.481 1.00 0.00 C ATOM 429 C GLU A 27 5.255 -10.197 6.009 1.00 0.00 C ATOM 430 O GLU A 27 4.511 -9.523 6.719 1.00 0.00 O ATOM 431 CB GLU A 27 7.272 -11.496 6.728 1.00 0.00 C ATOM 432 CG GLU A 27 7.697 -10.331 7.606 1.00 0.00 C ATOM 433 CD GLU A 27 9.187 -10.322 7.890 1.00 0.00 C ATOM 434 OE1 GLU A 27 9.890 -11.231 7.399 1.00 0.00 O ATOM 435 OE2 GLU A 27 9.649 -9.409 8.603 1.00 0.00 O ATOM 0 H GLU A 27 6.219 -12.801 4.859 1.00 0.00 H new ATOM 0 HA GLU A 27 5.257 -11.811 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.595 -12.427 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.786 -11.424 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.419 -9.396 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.152 -10.375 8.549 1.00 0.00 H new ATOM 442 N MET A 28 5.680 -9.793 4.814 1.00 0.00 N ATOM 443 CA MET A 28 5.291 -8.502 4.246 1.00 0.00 C ATOM 444 C MET A 28 4.006 -8.590 3.420 1.00 0.00 C ATOM 445 O MET A 28 3.113 -7.754 3.553 1.00 0.00 O ATOM 446 CB MET A 28 6.423 -7.955 3.374 1.00 0.00 C ATOM 447 CG MET A 28 7.775 -7.946 4.068 1.00 0.00 C ATOM 448 SD MET A 28 7.761 -7.024 5.616 1.00 0.00 S ATOM 449 CE MET A 28 9.472 -7.193 6.120 1.00 0.00 C ATOM 0 H MET A 28 6.297 -10.343 4.217 1.00 0.00 H new ATOM 0 HA MET A 28 5.099 -7.828 5.081 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.494 -8.555 2.467 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.175 -6.939 3.066 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.084 -8.973 4.265 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.518 -7.512 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.578 -6.882 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.780 -8.234 6.020 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.101 -6.566 5.488 1.00 0.00 H new ATOM 459 N LEU A 29 3.931 -9.601 2.561 1.00 0.00 N ATOM 460 CA LEU A 29 2.768 -9.811 1.689 1.00 0.00 C ATOM 461 C LEU A 29 1.498 -10.048 2.512 1.00 0.00 C ATOM 462 O LEU A 29 0.393 -9.751 2.061 1.00 0.00 O ATOM 463 CB LEU A 29 3.060 -10.975 0.723 1.00 0.00 C ATOM 464 CG LEU A 29 1.876 -11.514 -0.081 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.368 -10.465 -1.051 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.286 -12.767 -0.841 1.00 0.00 C ATOM 0 H LEU A 29 4.667 -10.297 2.446 1.00 0.00 H new ATOM 0 HA LEU A 29 2.590 -8.912 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.828 -10.650 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.483 -11.798 1.300 1.00 0.00 H new ATOM 0 HG LEU A 29 1.074 -11.764 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.526 -10.867 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.046 -9.583 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.166 -10.190 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.435 -13.142 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.102 -12.528 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.615 -13.529 -0.135 1.00 0.00 H new ATOM 478 N GLU A 30 1.662 -10.564 3.726 1.00 0.00 N ATOM 479 CA GLU A 30 0.523 -10.812 4.613 1.00 0.00 C ATOM 480 C GLU A 30 -0.019 -9.508 5.197 1.00 0.00 C ATOM 481 O GLU A 30 -1.223 -9.360 5.409 1.00 0.00 O ATOM 482 CB GLU A 30 0.921 -11.752 5.751 1.00 0.00 C ATOM 483 CG GLU A 30 -0.158 -11.917 6.811 1.00 0.00 C ATOM 484 CD GLU A 30 0.248 -12.879 7.911 1.00 0.00 C ATOM 485 OE1 GLU A 30 1.271 -12.620 8.578 1.00 0.00 O ATOM 486 OE2 GLU A 30 -0.459 -13.890 8.107 1.00 0.00 O ATOM 0 H GLU A 30 2.568 -10.819 4.120 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.260 -11.279 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.163 -12.730 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.828 -11.374 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.384 -10.945 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.073 -12.275 6.340 1.00 0.00 H new ATOM 493 N LYS A 31 0.879 -8.569 5.464 1.00 0.00 N ATOM 494 CA LYS A 31 0.494 -7.283 6.032 1.00 0.00 C ATOM 495 C LYS A 31 0.102 -6.333 4.919 1.00 0.00 C ATOM 496 O LYS A 31 -0.716 -5.431 5.097 1.00 0.00 O ATOM 497 CB LYS A 31 1.649 -6.707 6.841 1.00 0.00 C ATOM 498 CG LYS A 31 2.403 -7.774 7.606 1.00 0.00 C ATOM 499 CD LYS A 31 1.507 -8.498 8.599 1.00 0.00 C ATOM 500 CE LYS A 31 2.206 -9.705 9.200 1.00 0.00 C ATOM 501 NZ LYS A 31 1.367 -10.378 10.229 1.00 0.00 N ATOM 0 H LYS A 31 1.880 -8.673 5.296 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.360 -7.421 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.336 -6.189 6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.265 -5.964 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.825 -8.494 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.239 -7.318 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.214 -7.812 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.592 -8.817 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.449 -10.415 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.149 -9.392 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.892 -10.431 11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.491 -9.835 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.130 -11.339 9.910 1.00 0.00 H new ATOM 515 N LEU A 32 0.701 -6.564 3.768 1.00 0.00 N ATOM 516 CA LEU A 32 0.443 -5.764 2.592 1.00 0.00 C ATOM 517 C LEU A 32 -0.987 -5.971 2.126 1.00 0.00 C ATOM 518 O LEU A 32 -1.580 -5.102 1.490 1.00 0.00 O ATOM 519 CB LEU A 32 1.422 -6.136 1.494 1.00 0.00 C ATOM 520 CG LEU A 32 1.434 -5.176 0.311 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.586 -3.738 0.780 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.538 -5.547 -0.655 1.00 0.00 C ATOM 0 H LEU A 32 1.380 -7.312 3.624 1.00 0.00 H new ATOM 0 HA LEU A 32 0.576 -4.710 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.425 -6.183 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.182 -7.136 1.133 1.00 0.00 H new ATOM 0 HG LEU A 32 0.479 -5.258 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.592 -3.072 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.753 -3.478 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.523 -3.631 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.535 -4.853 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.500 -5.495 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.376 -6.561 -1.021 1.00 0.00 H new ATOM 534 N GLU A 33 -1.543 -7.131 2.449 1.00 0.00 N ATOM 535 CA GLU A 33 -2.917 -7.432 2.070 1.00 0.00 C ATOM 536 C GLU A 33 -3.876 -6.870 3.104 1.00 0.00 C ATOM 537 O GLU A 33 -4.921 -6.322 2.759 1.00 0.00 O ATOM 538 CB GLU A 33 -3.144 -8.934 1.911 1.00 0.00 C ATOM 539 CG GLU A 33 -2.973 -9.726 3.197 1.00 0.00 C ATOM 540 CD GLU A 33 -3.626 -11.094 3.139 1.00 0.00 C ATOM 541 OE1 GLU A 33 -4.270 -11.404 2.115 1.00 0.00 O ATOM 542 OE2 GLU A 33 -3.502 -11.852 4.124 1.00 0.00 O ATOM 0 H GLU A 33 -1.070 -7.872 2.967 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.105 -6.963 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.150 -9.100 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.449 -9.319 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.910 -9.845 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.399 -9.160 4.026 1.00 0.00 H new ATOM 549 N VAL A 34 -3.510 -7.002 4.378 1.00 0.00 N ATOM 550 CA VAL A 34 -4.343 -6.488 5.453 1.00 0.00 C ATOM 551 C VAL A 34 -4.360 -4.967 5.415 1.00 0.00 C ATOM 552 O VAL A 34 -5.376 -4.341 5.729 1.00 0.00 O ATOM 553 CB VAL A 34 -3.878 -6.963 6.847 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.853 -8.481 6.915 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.519 -6.382 7.199 1.00 0.00 C ATOM 0 H VAL A 34 -2.650 -7.457 4.685 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.347 -6.882 5.292 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.595 -6.600 7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.523 -8.795 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.853 -8.870 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.165 -8.868 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.217 -6.734 8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.784 -6.701 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.579 -5.294 7.204 1.00 0.00 H new ATOM 565 N VAL A 35 -3.235 -4.375 5.006 1.00 0.00 N ATOM 566 CA VAL A 35 -3.147 -2.929 4.909 1.00 0.00 C ATOM 567 C VAL A 35 -4.232 -2.428 3.969 1.00 0.00 C ATOM 568 O VAL A 35 -4.990 -1.524 4.312 1.00 0.00 O ATOM 569 CB VAL A 35 -1.754 -2.444 4.433 1.00 0.00 C ATOM 570 CG1 VAL A 35 -1.449 -2.921 3.027 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.656 -0.933 4.498 1.00 0.00 C ATOM 0 H VAL A 35 -2.386 -4.874 4.741 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.292 -2.518 5.908 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.015 -2.875 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.465 -2.562 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.461 -4.011 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.202 -2.534 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.669 -0.617 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.419 -0.491 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.810 -0.602 5.525 1.00 0.00 H new ATOM 581 N VAL A 36 -4.349 -3.057 2.800 1.00 0.00 N ATOM 582 CA VAL A 36 -5.399 -2.676 1.868 1.00 0.00 C ATOM 583 C VAL A 36 -6.723 -3.264 2.312 1.00 0.00 C ATOM 584 O VAL A 36 -7.758 -2.667 2.114 1.00 0.00 O ATOM 585 CB VAL A 36 -5.138 -3.094 0.407 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.864 -1.860 -0.445 1.00 0.00 C ATOM 587 CG2 VAL A 36 -4.029 -4.131 0.305 1.00 0.00 C ATOM 0 H VAL A 36 -3.743 -3.815 2.484 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.419 -1.586 1.884 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.034 -3.578 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.680 -2.163 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.727 -1.195 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.988 -1.338 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.876 -4.399 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.106 -3.718 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.309 -5.020 0.870 1.00 0.00 H new ATOM 597 N ASN A 37 -6.688 -4.433 2.932 1.00 0.00 N ATOM 598 CA ASN A 37 -7.911 -5.068 3.410 1.00 0.00 C ATOM 599 C ASN A 37 -8.803 -4.024 4.049 1.00 0.00 C ATOM 600 O ASN A 37 -10.014 -3.980 3.818 1.00 0.00 O ATOM 601 CB ASN A 37 -7.567 -6.151 4.430 1.00 0.00 C ATOM 602 CG ASN A 37 -8.791 -6.857 4.978 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.596 -7.407 4.226 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.932 -6.847 6.297 1.00 0.00 N ATOM 0 H ASN A 37 -5.834 -4.960 3.116 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.434 -5.526 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.909 -6.885 3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.013 -5.703 5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.733 -7.308 6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.239 -6.378 6.880 1.00 0.00 H new ATOM 611 N GLU A 38 -8.171 -3.164 4.828 1.00 0.00 N ATOM 612 CA GLU A 38 -8.867 -2.075 5.495 1.00 0.00 C ATOM 613 C GLU A 38 -9.296 -1.031 4.474 1.00 0.00 C ATOM 614 O GLU A 38 -10.394 -0.484 4.550 1.00 0.00 O ATOM 615 CB GLU A 38 -7.966 -1.431 6.548 1.00 0.00 C ATOM 616 CG GLU A 38 -7.511 -2.390 7.638 1.00 0.00 C ATOM 617 CD GLU A 38 -8.662 -2.926 8.468 1.00 0.00 C ATOM 618 OE1 GLU A 38 -9.544 -3.603 7.898 1.00 0.00 O ATOM 619 OE2 GLU A 38 -8.683 -2.671 9.690 1.00 0.00 O ATOM 0 H GLU A 38 -7.169 -3.199 5.016 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.751 -2.478 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.088 -1.014 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.499 -0.599 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.978 -3.225 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.804 -1.880 8.292 1.00 0.00 H new ATOM 626 N ARG A 39 -8.414 -0.766 3.516 1.00 0.00 N ATOM 627 CA ARG A 39 -8.680 0.206 2.462 1.00 0.00 C ATOM 628 C ARG A 39 -9.651 -0.343 1.418 1.00 0.00 C ATOM 629 O ARG A 39 -10.660 0.279 1.107 1.00 0.00 O ATOM 630 CB ARG A 39 -7.377 0.616 1.781 1.00 0.00 C ATOM 631 CG ARG A 39 -6.545 1.597 2.591 1.00 0.00 C ATOM 632 CD ARG A 39 -6.027 0.968 3.869 1.00 0.00 C ATOM 633 NE ARG A 39 -5.401 1.943 4.759 1.00 0.00 N ATOM 634 CZ ARG A 39 -6.069 2.907 5.384 1.00 0.00 C ATOM 635 NH1 ARG A 39 -7.382 3.022 5.226 1.00 0.00 N ATOM 636 NH2 ARG A 39 -5.425 3.756 6.175 1.00 0.00 N ATOM 0 H ARG A 39 -7.501 -1.215 3.448 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.140 1.076 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.783 -0.277 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.608 1.062 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.705 1.945 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.148 2.472 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.851 0.482 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.304 0.191 3.621 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.394 1.880 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.882 2.369 4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.891 3.763 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.417 3.669 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.938 4.496 6.654 1.00 0.00 H new ATOM 650 N ARG A 40 -9.345 -1.510 0.875 1.00 0.00 N ATOM 651 CA ARG A 40 -10.205 -2.118 -0.130 1.00 0.00 C ATOM 652 C ARG A 40 -11.661 -2.011 0.308 1.00 0.00 C ATOM 653 O ARG A 40 -12.552 -1.780 -0.509 1.00 0.00 O ATOM 654 CB ARG A 40 -9.822 -3.587 -0.373 1.00 0.00 C ATOM 655 CG ARG A 40 -8.392 -3.792 -0.862 1.00 0.00 C ATOM 656 CD ARG A 40 -8.065 -2.892 -2.045 1.00 0.00 C ATOM 657 NE ARG A 40 -8.986 -3.094 -3.160 1.00 0.00 N ATOM 658 CZ ARG A 40 -8.903 -2.440 -4.315 1.00 0.00 C ATOM 659 NH1 ARG A 40 -7.943 -1.544 -4.506 1.00 0.00 N ATOM 660 NH2 ARG A 40 -9.779 -2.681 -5.279 1.00 0.00 N ATOM 0 H ARG A 40 -8.514 -2.053 1.110 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.073 -1.582 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.960 -4.144 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.508 -4.012 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.697 -3.589 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.252 -4.834 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.103 -1.850 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.045 -3.087 -2.378 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.736 -3.776 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.267 -1.356 -3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.881 -1.044 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.518 -3.369 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.714 -2.179 -6.164 1.00 0.00 H new ATOM 674 N GLU A 41 -11.891 -2.170 1.610 1.00 0.00 N ATOM 675 CA GLU A 41 -13.230 -2.082 2.173 1.00 0.00 C ATOM 676 C GLU A 41 -13.623 -0.640 2.531 1.00 0.00 C ATOM 677 O GLU A 41 -14.723 -0.191 2.201 1.00 0.00 O ATOM 678 CB GLU A 41 -13.320 -2.972 3.411 1.00 0.00 C ATOM 679 CG GLU A 41 -14.594 -2.769 4.206 1.00 0.00 C ATOM 680 CD GLU A 41 -14.663 -3.651 5.438 1.00 0.00 C ATOM 681 OE1 GLU A 41 -14.635 -4.891 5.283 1.00 0.00 O ATOM 682 OE2 GLU A 41 -14.746 -3.104 6.557 1.00 0.00 O ATOM 0 H GLU A 41 -11.160 -2.361 2.295 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.932 -2.424 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.254 -4.016 3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.463 -2.774 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.666 -1.724 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.453 -2.976 3.567 1.00 0.00 H new ATOM 689 N GLU A 42 -12.737 0.070 3.232 1.00 0.00 N ATOM 690 CA GLU A 42 -13.016 1.445 3.661 1.00 0.00 C ATOM 691 C GLU A 42 -12.625 2.473 2.605 1.00 0.00 C ATOM 692 O GLU A 42 -13.376 3.410 2.332 1.00 0.00 O ATOM 693 CB GLU A 42 -12.287 1.749 4.971 1.00 0.00 C ATOM 694 CG GLU A 42 -12.700 0.847 6.124 1.00 0.00 C ATOM 695 CD GLU A 42 -14.156 1.019 6.518 1.00 0.00 C ATOM 696 OE1 GLU A 42 -14.839 1.879 5.923 1.00 0.00 O ATOM 697 OE2 GLU A 42 -14.612 0.294 7.427 1.00 0.00 O ATOM 0 H GLU A 42 -11.822 -0.282 3.515 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.093 1.520 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.213 1.650 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.474 2.787 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.525 -0.192 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.068 1.057 6.987 1.00 0.00 H new ATOM 704 N GLU A 43 -11.449 2.306 2.022 1.00 0.00 N ATOM 705 CA GLU A 43 -10.973 3.232 1.004 1.00 0.00 C ATOM 706 C GLU A 43 -11.978 3.301 -0.137 1.00 0.00 C ATOM 707 O GLU A 43 -12.377 4.387 -0.562 1.00 0.00 O ATOM 708 CB GLU A 43 -9.614 2.792 0.468 1.00 0.00 C ATOM 709 CG GLU A 43 -8.754 3.933 -0.047 1.00 0.00 C ATOM 710 CD GLU A 43 -9.536 4.962 -0.841 1.00 0.00 C ATOM 711 OE1 GLU A 43 -10.102 4.596 -1.893 1.00 0.00 O ATOM 712 OE2 GLU A 43 -9.585 6.134 -0.409 1.00 0.00 O ATOM 0 H GLU A 43 -10.808 1.542 2.234 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.865 4.218 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.074 2.272 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.768 2.074 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.272 4.425 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.961 3.526 -0.674 1.00 0.00 H new ATOM 719 N SER A 44 -12.403 2.130 -0.610 1.00 0.00 N ATOM 720 CA SER A 44 -13.387 2.061 -1.681 1.00 0.00 C ATOM 721 C SER A 44 -14.622 2.834 -1.259 1.00 0.00 C ATOM 722 O SER A 44 -15.266 3.503 -2.068 1.00 0.00 O ATOM 723 CB SER A 44 -13.750 0.606 -1.986 1.00 0.00 C ATOM 724 OG SER A 44 -14.717 0.527 -3.020 1.00 0.00 O ATOM 0 H SER A 44 -12.082 1.224 -0.269 1.00 0.00 H new ATOM 0 HA SER A 44 -12.969 2.499 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.854 0.058 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.136 0.128 -1.086 1.00 0.00 H new ATOM 0 HG SER A 44 -14.931 -0.413 -3.197 1.00 0.00 H new ATOM 730 N ALA A 45 -14.919 2.753 0.033 1.00 0.00 N ATOM 731 CA ALA A 45 -16.048 3.456 0.612 1.00 0.00 C ATOM 732 C ALA A 45 -15.854 4.960 0.457 1.00 0.00 C ATOM 733 O ALA A 45 -16.789 5.689 0.125 1.00 0.00 O ATOM 734 CB ALA A 45 -16.189 3.081 2.079 1.00 0.00 C ATOM 0 H ALA A 45 -14.384 2.200 0.702 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.961 3.169 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.038 3.611 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.350 2.006 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.280 3.356 2.614 1.00 0.00 H new ATOM 740 N ALA A 46 -14.621 5.408 0.684 1.00 0.00 N ATOM 741 CA ALA A 46 -14.280 6.820 0.556 1.00 0.00 C ATOM 742 C ALA A 46 -14.430 7.276 -0.890 1.00 0.00 C ATOM 743 O ALA A 46 -14.938 8.363 -1.164 1.00 0.00 O ATOM 744 CB ALA A 46 -12.856 7.066 1.040 1.00 0.00 C ATOM 0 H ALA A 46 -13.841 4.811 0.958 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.966 7.398 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.615 8.124 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.772 6.773 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.161 6.477 0.441 1.00 0.00 H new ATOM 947 N GLU B 2 -10.614 -8.619 -2.178 1.00 0.00 N ATOM 948 CA GLU B 2 -9.620 -8.631 -3.243 1.00 0.00 C ATOM 949 C GLU B 2 -8.204 -8.521 -2.683 1.00 0.00 C ATOM 950 O GLU B 2 -7.246 -8.905 -3.344 1.00 0.00 O ATOM 951 CB GLU B 2 -9.879 -7.504 -4.250 1.00 0.00 C ATOM 952 CG GLU B 2 -9.641 -6.102 -3.708 1.00 0.00 C ATOM 953 CD GLU B 2 -10.594 -5.718 -2.592 1.00 0.00 C ATOM 954 OE1 GLU B 2 -10.444 -6.250 -1.472 1.00 0.00 O ATOM 955 OE2 GLU B 2 -11.489 -4.885 -2.838 1.00 0.00 O ATOM 0 HA GLU B 2 -9.709 -9.586 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.239 -7.657 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -10.910 -7.575 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.617 -6.031 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -9.739 -5.384 -4.522 1.00 0.00 H new ATOM 962 N ALA B 3 -8.077 -8.005 -1.462 1.00 0.00 N ATOM 963 CA ALA B 3 -6.770 -7.867 -0.821 1.00 0.00 C ATOM 964 C ALA B 3 -6.352 -9.199 -0.230 1.00 0.00 C ATOM 965 O ALA B 3 -5.172 -9.491 -0.057 1.00 0.00 O ATOM 966 CB ALA B 3 -6.807 -6.787 0.249 1.00 0.00 C ATOM 0 H ALA B 3 -8.861 -7.676 -0.898 1.00 0.00 H new ATOM 0 HA ALA B 3 -6.036 -7.567 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.825 -6.701 0.713 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -7.079 -5.834 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -7.544 -7.051 1.007 1.00 0.00 H new ATOM 972 N LEU B 4 -7.348 -10.000 0.066 1.00 0.00 N ATOM 973 CA LEU B 4 -7.151 -11.319 0.616 1.00 0.00 C ATOM 974 C LEU B 4 -6.941 -12.307 -0.520 1.00 0.00 C ATOM 975 O LEU B 4 -6.145 -13.240 -0.428 1.00 0.00 O ATOM 976 CB LEU B 4 -8.376 -11.692 1.448 1.00 0.00 C ATOM 977 CG LEU B 4 -8.714 -10.698 2.566 1.00 0.00 C ATOM 978 CD1 LEU B 4 -7.456 -10.318 3.326 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.391 -9.455 2.004 1.00 0.00 C ATOM 0 H LEU B 4 -8.328 -9.751 -0.070 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.270 -11.341 1.258 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.237 -11.779 0.785 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.213 -12.675 1.890 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.410 -11.179 3.253 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.708 -9.612 4.117 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.012 -11.212 3.765 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.743 -9.857 2.642 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.620 -8.766 2.817 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.724 -8.968 1.293 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.314 -9.740 1.499 1.00 0.00 H new ATOM 991 N LYS B 5 -7.679 -12.069 -1.593 1.00 0.00 N ATOM 992 CA LYS B 5 -7.633 -12.894 -2.790 1.00 0.00 C ATOM 993 C LYS B 5 -6.510 -12.463 -3.730 1.00 0.00 C ATOM 994 O LYS B 5 -6.049 -13.253 -4.554 1.00 0.00 O ATOM 995 CB LYS B 5 -8.979 -12.837 -3.517 1.00 0.00 C ATOM 996 CG LYS B 5 -9.014 -13.660 -4.791 1.00 0.00 C ATOM 997 CD LYS B 5 -8.510 -15.070 -4.542 1.00 0.00 C ATOM 998 CE LYS B 5 -8.589 -15.922 -5.798 1.00 0.00 C ATOM 999 NZ LYS B 5 -7.800 -15.340 -6.917 1.00 0.00 N ATOM 0 H LYS B 5 -8.334 -11.289 -1.658 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.430 -13.919 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -9.761 -13.189 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.209 -11.799 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -10.033 -13.697 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -8.402 -13.181 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.478 -15.032 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -9.099 -15.533 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.223 -16.925 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -9.631 -16.023 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -7.654 -16.062 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -8.316 -14.533 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.878 -15.017 -6.560 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.067 -11.214 -3.605 1.00 0.00 N ATOM 1014 CA ILE B 6 -4.999 -10.703 -4.444 1.00 0.00 C ATOM 1015 C ILE B 6 -3.800 -11.612 -4.342 1.00 0.00 C ATOM 1016 O ILE B 6 -3.233 -12.065 -5.337 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.564 -9.292 -4.001 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.362 -8.853 -4.812 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.226 -9.271 -2.525 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.898 -7.458 -4.483 1.00 0.00 C ATOM 0 H ILE B 6 -6.434 -10.542 -2.931 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.373 -10.660 -5.467 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.391 -8.603 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.542 -9.551 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.609 -8.906 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.922 -8.265 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.102 -9.566 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.411 -9.967 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.035 -7.207 -5.099 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.703 -6.751 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.620 -7.406 -3.430 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.437 -11.863 -3.107 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.324 -12.707 -2.776 1.00 0.00 C ATOM 1034 C LEU B 7 -2.845 -14.082 -2.395 1.00 0.00 C ATOM 1035 O LEU B 7 -2.081 -15.033 -2.221 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.535 -12.063 -1.630 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.690 -12.713 -0.253 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.656 -13.808 -0.054 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.570 -11.667 0.838 1.00 0.00 C ATOM 0 H LEU B 7 -3.917 -11.478 -2.294 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.654 -12.821 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.478 -12.071 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.836 -11.018 -1.551 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.680 -13.166 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.785 -14.256 0.931 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.784 -14.573 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.344 -13.382 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.682 -12.143 1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.592 -11.189 0.778 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.349 -10.916 0.709 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.167 -14.165 -2.268 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.832 -15.412 -1.898 1.00 0.00 C ATOM 1053 C ASN B 8 -4.403 -15.847 -0.503 1.00 0.00 C ATOM 1054 O ASN B 8 -4.411 -17.032 -0.184 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.505 -16.519 -2.905 1.00 0.00 C ATOM 1056 CG ASN B 8 -4.873 -16.142 -4.328 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -4.345 -15.177 -4.881 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -5.778 -16.906 -4.926 1.00 0.00 N ATOM 0 H ASN B 8 -4.801 -13.380 -2.417 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.908 -15.237 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.440 -16.745 -2.857 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -5.037 -17.428 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -6.063 -16.704 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.188 -17.696 -4.428 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.033 -14.875 0.326 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.594 -15.143 1.693 1.00 0.00 C ATOM 1067 C ASN B 9 -2.327 -16.000 1.713 1.00 0.00 C ATOM 1068 O ASN B 9 -2.264 -17.060 1.091 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.705 -15.837 2.489 1.00 0.00 C ATOM 1070 CG ASN B 9 -5.953 -14.983 2.655 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -6.923 -15.412 3.282 1.00 0.00 O ATOM 1072 ND2 ASN B 9 -5.948 -13.774 2.097 1.00 0.00 N ATOM 0 H ASN B 9 -4.029 -13.887 0.073 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.366 -14.184 2.159 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -4.974 -16.767 1.988 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.323 -16.105 3.474 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -6.766 -13.170 2.182 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -5.127 -13.452 1.585 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.321 -15.524 2.439 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.041 -16.223 2.563 1.00 0.00 C ATOM 1081 C ILE B 10 -0.217 -17.639 3.111 1.00 0.00 C ATOM 1082 O ILE B 10 0.671 -18.476 2.972 1.00 0.00 O ATOM 1083 CB ILE B 10 0.936 -15.455 3.476 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.400 -15.376 4.914 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.199 -14.064 2.916 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -0.873 -14.569 5.063 1.00 0.00 C ATOM 0 H ILE B 10 -1.366 -14.647 2.957 1.00 0.00 H new ATOM 0 HA ILE B 10 0.373 -16.280 1.556 1.00 0.00 H new ATOM 0 HB ILE B 10 1.880 -16.000 3.504 1.00 0.00 H new ATOM 0 HG12 ILE B 10 0.219 -16.388 5.278 1.00 0.00 H new ATOM 0 HG13 ILE B 10 1.169 -14.940 5.552 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.890 -13.533 3.570 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.635 -14.149 1.920 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.261 -13.513 2.856 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.181 -14.565 6.109 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.696 -13.545 4.733 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.660 -15.015 4.455 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.356 -17.898 3.750 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.622 -19.213 4.329 1.00 0.00 C ATOM 1100 C ARG B 11 -1.658 -20.311 3.260 1.00 0.00 C ATOM 1101 O ARG B 11 -0.883 -21.269 3.321 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.933 -19.189 5.123 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.143 -18.758 4.312 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.366 -18.568 5.196 1.00 0.00 C ATOM 1105 NE ARG B 11 -5.688 -19.775 5.952 1.00 0.00 N ATOM 1106 CZ ARG B 11 -6.700 -19.861 6.808 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -7.491 -18.816 7.012 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -6.924 -20.993 7.462 1.00 0.00 N ATOM 0 H ARG B 11 -2.106 -17.219 3.880 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.801 -19.448 5.007 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -3.117 -20.184 5.529 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.819 -18.514 5.971 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.921 -17.827 3.791 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.357 -19.507 3.549 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.189 -17.744 5.887 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.220 -18.289 4.579 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.103 -20.599 5.815 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.323 -17.944 6.511 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.267 -18.885 7.670 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.319 -21.799 7.308 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -7.702 -21.057 8.119 1.00 0.00 H new ATOM 1122 N THR B 12 -2.542 -20.170 2.278 1.00 0.00 N ATOM 1123 CA THR B 12 -2.643 -21.160 1.210 1.00 0.00 C ATOM 1124 C THR B 12 -1.513 -20.973 0.207 1.00 0.00 C ATOM 1125 O THR B 12 -1.056 -21.932 -0.420 1.00 0.00 O ATOM 1126 CB THR B 12 -3.996 -21.087 0.474 1.00 0.00 C ATOM 1127 OG1 THR B 12 -4.124 -22.196 -0.424 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.125 -19.792 -0.307 1.00 0.00 C ATOM 0 H THR B 12 -3.193 -19.389 2.199 1.00 0.00 H new ATOM 0 HA THR B 12 -2.567 -22.141 1.678 1.00 0.00 H new ATOM 0 HB THR B 12 -4.788 -21.123 1.222 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.986 -22.144 -0.887 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.089 -19.768 -0.816 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.055 -18.946 0.377 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.324 -19.730 -1.044 1.00 0.00 H new ATOM 1136 N LEU B 13 -1.068 -19.727 0.064 1.00 0.00 N ATOM 1137 CA LEU B 13 0.012 -19.407 -0.857 1.00 0.00 C ATOM 1138 C LEU B 13 1.285 -20.130 -0.445 1.00 0.00 C ATOM 1139 O LEU B 13 1.904 -20.814 -1.251 1.00 0.00 O ATOM 1140 CB LEU B 13 0.249 -17.893 -0.897 1.00 0.00 C ATOM 1141 CG LEU B 13 1.234 -17.410 -1.970 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.196 -15.893 -2.080 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.647 -17.888 -1.672 1.00 0.00 C ATOM 0 H LEU B 13 -1.440 -18.926 0.574 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.272 -19.740 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.708 -17.396 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.615 -17.574 0.079 1.00 0.00 H new ATOM 0 HG LEU B 13 0.930 -17.837 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.900 -15.566 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.190 -15.573 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.471 -15.452 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.323 -17.531 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.967 -17.499 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.665 -18.978 -1.648 1.00 0.00 H new ATOM 1155 N ARG B 14 1.665 -19.972 0.821 1.00 0.00 N ATOM 1156 CA ARG B 14 2.861 -20.611 1.351 1.00 0.00 C ATOM 1157 C ARG B 14 2.924 -22.070 0.921 1.00 0.00 C ATOM 1158 O ARG B 14 4.003 -22.626 0.720 1.00 0.00 O ATOM 1159 CB ARG B 14 2.865 -20.522 2.881 1.00 0.00 C ATOM 1160 CG ARG B 14 4.028 -21.249 3.535 1.00 0.00 C ATOM 1161 CD ARG B 14 5.359 -20.670 3.097 1.00 0.00 C ATOM 1162 NE ARG B 14 6.492 -21.393 3.671 1.00 0.00 N ATOM 1163 CZ ARG B 14 6.743 -21.464 4.975 1.00 0.00 C ATOM 1164 NH1 ARG B 14 5.953 -20.843 5.843 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.788 -22.152 5.414 1.00 0.00 N ATOM 0 H ARG B 14 1.157 -19.404 1.499 1.00 0.00 H new ATOM 0 HA ARG B 14 3.735 -20.093 0.956 1.00 0.00 H new ATOM 0 HB2 ARG B 14 2.894 -19.473 3.174 1.00 0.00 H new ATOM 0 HB3 ARG B 14 1.931 -20.934 3.262 1.00 0.00 H new ATOM 0 HG2 ARG B 14 3.939 -21.180 4.619 1.00 0.00 H new ATOM 0 HG3 ARG B 14 3.988 -22.308 3.278 1.00 0.00 H new ATOM 0 HD2 ARG B 14 5.425 -20.699 2.009 1.00 0.00 H new ATOM 0 HD3 ARG B 14 5.412 -19.622 3.392 1.00 0.00 H new ATOM 0 HE ARG B 14 7.128 -21.872 3.033 1.00 0.00 H new ATOM 0 HH11 ARG B 14 5.150 -20.309 5.510 1.00 0.00 H new ATOM 0 HH12 ARG B 14 6.149 -20.900 6.842 1.00 0.00 H new ATOM 0 HH21 ARG B 14 8.400 -22.628 4.751 1.00 0.00 H new ATOM 0 HH22 ARG B 14 7.979 -22.206 6.414 1.00 0.00 H new ATOM 1179 N ALA B 15 1.753 -22.676 0.789 1.00 0.00 N ATOM 1180 CA ALA B 15 1.647 -24.073 0.389 1.00 0.00 C ATOM 1181 C ALA B 15 1.728 -24.245 -1.121 1.00 0.00 C ATOM 1182 O ALA B 15 2.449 -25.109 -1.616 1.00 0.00 O ATOM 1183 CB ALA B 15 0.344 -24.655 0.895 1.00 0.00 C ATOM 0 H ALA B 15 0.856 -22.219 0.954 1.00 0.00 H new ATOM 0 HA ALA B 15 2.491 -24.603 0.830 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.270 -25.700 0.593 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.314 -24.589 1.983 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.492 -24.096 0.474 1.00 0.00 H new ATOM 1189 N GLN B 16 0.976 -23.428 -1.852 1.00 0.00 N ATOM 1190 CA GLN B 16 0.974 -23.520 -3.312 1.00 0.00 C ATOM 1191 C GLN B 16 2.349 -23.163 -3.843 1.00 0.00 C ATOM 1192 O GLN B 16 2.829 -23.726 -4.828 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.077 -22.584 -3.921 1.00 0.00 C ATOM 1194 CG GLN B 16 0.352 -21.124 -3.951 1.00 0.00 C ATOM 1195 CD GLN B 16 -0.692 -20.213 -4.566 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.170 -20.454 -5.675 1.00 0.00 O ATOM 1197 NE2 GLN B 16 -1.039 -19.146 -3.854 1.00 0.00 N ATOM 0 H GLN B 16 0.368 -22.705 -1.467 1.00 0.00 H new ATOM 0 HA GLN B 16 0.723 -24.543 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.297 -22.910 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.002 -22.671 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.563 -20.792 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.281 -21.035 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.618 -18.984 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -1.726 -18.489 -4.222 1.00 0.00 H new ATOM 1206 N ALA B 17 2.967 -22.218 -3.161 1.00 0.00 N ATOM 1207 CA ALA B 17 4.288 -21.738 -3.502 1.00 0.00 C ATOM 1208 C ALA B 17 5.351 -22.598 -2.853 1.00 0.00 C ATOM 1209 O ALA B 17 6.504 -22.590 -3.275 1.00 0.00 O ATOM 1210 CB ALA B 17 4.446 -20.290 -3.094 1.00 0.00 C ATOM 0 H ALA B 17 2.560 -21.759 -2.346 1.00 0.00 H new ATOM 0 HA ALA B 17 4.411 -21.804 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.446 -19.945 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.704 -19.683 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.303 -20.198 -2.017 1.00 0.00 H new ATOM 1216 N ARG B 18 4.957 -23.340 -1.818 1.00 0.00 N ATOM 1217 CA ARG B 18 5.881 -24.217 -1.118 1.00 0.00 C ATOM 1218 C ARG B 18 6.731 -24.977 -2.127 1.00 0.00 C ATOM 1219 O ARG B 18 7.891 -25.300 -1.870 1.00 0.00 O ATOM 1220 CB ARG B 18 5.100 -25.191 -0.243 1.00 0.00 C ATOM 1221 CG ARG B 18 5.967 -26.161 0.530 1.00 0.00 C ATOM 1222 CD ARG B 18 5.108 -27.102 1.349 1.00 0.00 C ATOM 1223 NE ARG B 18 5.908 -28.068 2.097 1.00 0.00 N ATOM 1224 CZ ARG B 18 5.386 -29.019 2.866 1.00 0.00 C ATOM 1225 NH1 ARG B 18 4.071 -29.131 2.987 1.00 0.00 N ATOM 1226 NH2 ARG B 18 6.181 -29.858 3.515 1.00 0.00 N ATOM 0 H ARG B 18 4.006 -23.348 -1.450 1.00 0.00 H new ATOM 0 HA ARG B 18 6.537 -23.622 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.493 -24.623 0.461 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.413 -25.757 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.588 -26.733 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.642 -25.612 1.186 1.00 0.00 H new ATOM 0 HD2 ARG B 18 4.498 -26.524 2.043 1.00 0.00 H new ATOM 0 HD3 ARG B 18 4.423 -27.634 0.689 1.00 0.00 H new ATOM 0 HE ARG B 18 6.924 -28.010 2.026 1.00 0.00 H new ATOM 0 HH11 ARG B 18 3.456 -28.487 2.489 1.00 0.00 H new ATOM 0 HH12 ARG B 18 3.674 -29.862 3.578 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.194 -29.774 3.425 1.00 0.00 H new ATOM 0 HH22 ARG B 18 5.780 -30.587 4.105 1.00 0.00 H new ATOM 1240 N GLU B 19 6.137 -25.236 -3.286 1.00 0.00 N ATOM 1241 CA GLU B 19 6.820 -25.935 -4.367 1.00 0.00 C ATOM 1242 C GLU B 19 7.040 -24.990 -5.545 1.00 0.00 C ATOM 1243 O GLU B 19 6.794 -25.345 -6.699 1.00 0.00 O ATOM 1244 CB GLU B 19 6.008 -27.155 -4.808 1.00 0.00 C ATOM 1245 CG GLU B 19 4.595 -26.819 -5.259 1.00 0.00 C ATOM 1246 CD GLU B 19 3.811 -28.044 -5.685 1.00 0.00 C ATOM 1247 OE1 GLU B 19 4.250 -28.731 -6.631 1.00 0.00 O ATOM 1248 OE2 GLU B 19 2.759 -28.319 -5.070 1.00 0.00 O ATOM 0 H GLU B 19 5.176 -24.970 -3.502 1.00 0.00 H new ATOM 0 HA GLU B 19 7.790 -26.277 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.532 -27.653 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.957 -27.864 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.068 -26.319 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.641 -26.115 -6.090 1.00 0.00 H new ATOM 1255 N SER B 20 7.496 -23.776 -5.241 1.00 0.00 N ATOM 1256 CA SER B 20 7.740 -22.764 -6.263 1.00 0.00 C ATOM 1257 C SER B 20 8.516 -21.580 -5.689 1.00 0.00 C ATOM 1258 O SER B 20 8.588 -21.397 -4.473 1.00 0.00 O ATOM 1259 CB SER B 20 6.415 -22.278 -6.855 1.00 0.00 C ATOM 1260 OG SER B 20 6.631 -21.294 -7.852 1.00 0.00 O ATOM 0 H SER B 20 7.704 -23.470 -4.290 1.00 0.00 H new ATOM 0 HA SER B 20 8.340 -23.220 -7.051 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.874 -23.121 -7.284 1.00 0.00 H new ATOM 0 HB3 SER B 20 5.789 -21.866 -6.063 1.00 0.00 H new ATOM 0 HG SER B 20 5.769 -21.002 -8.215 1.00 0.00 H new ATOM 1266 N THR B 21 9.098 -20.783 -6.579 1.00 0.00 N ATOM 1267 CA THR B 21 9.879 -19.613 -6.188 1.00 0.00 C ATOM 1268 C THR B 21 8.995 -18.538 -5.560 1.00 0.00 C ATOM 1269 O THR B 21 7.794 -18.478 -5.826 1.00 0.00 O ATOM 1270 CB THR B 21 10.623 -19.015 -7.399 1.00 0.00 C ATOM 1271 OG1 THR B 21 11.440 -20.018 -8.015 1.00 0.00 O ATOM 1272 CG2 THR B 21 11.494 -17.839 -6.982 1.00 0.00 C ATOM 0 H THR B 21 9.043 -20.928 -7.587 1.00 0.00 H new ATOM 0 HA THR B 21 10.606 -19.948 -5.448 1.00 0.00 H new ATOM 0 HB THR B 21 9.877 -18.659 -8.110 1.00 0.00 H new ATOM 0 HG1 THR B 21 11.908 -19.631 -8.784 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.006 -17.438 -7.856 1.00 0.00 H new ATOM 0 HG22 THR B 21 10.870 -17.063 -6.539 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.231 -18.173 -6.251 1.00 0.00 H new ATOM 1280 N LEU B 22 9.598 -17.686 -4.731 1.00 0.00 N ATOM 1281 CA LEU B 22 8.875 -16.613 -4.073 1.00 0.00 C ATOM 1282 C LEU B 22 8.271 -15.667 -5.102 1.00 0.00 C ATOM 1283 O LEU B 22 7.463 -14.824 -4.763 1.00 0.00 O ATOM 1284 CB LEU B 22 9.776 -15.851 -3.096 1.00 0.00 C ATOM 1285 CG LEU B 22 10.284 -14.495 -3.577 1.00 0.00 C ATOM 1286 CD1 LEU B 22 10.949 -13.756 -2.430 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.239 -14.639 -4.748 1.00 0.00 C ATOM 0 H LEU B 22 10.591 -17.724 -4.502 1.00 0.00 H new ATOM 0 HA LEU B 22 8.065 -17.059 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.227 -15.703 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.637 -16.477 -2.862 1.00 0.00 H new ATOM 0 HG LEU B 22 9.429 -13.916 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.309 -12.789 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.227 -13.605 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.789 -14.343 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.580 -13.653 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.097 -15.240 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.727 -15.128 -5.577 1.00 0.00 H new ATOM 1299 N GLU B 23 8.688 -15.805 -6.357 1.00 0.00 N ATOM 1300 CA GLU B 23 8.195 -14.950 -7.438 1.00 0.00 C ATOM 1301 C GLU B 23 6.699 -14.677 -7.280 1.00 0.00 C ATOM 1302 O GLU B 23 6.191 -13.652 -7.741 1.00 0.00 O ATOM 1303 CB GLU B 23 8.459 -15.617 -8.788 1.00 0.00 C ATOM 1304 CG GLU B 23 7.985 -14.801 -9.981 1.00 0.00 C ATOM 1305 CD GLU B 23 8.239 -15.500 -11.302 1.00 0.00 C ATOM 1306 OE1 GLU B 23 7.706 -16.612 -11.498 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.971 -14.934 -12.142 1.00 0.00 O ATOM 0 H GLU B 23 9.369 -16.504 -6.654 1.00 0.00 H new ATOM 0 HA GLU B 23 8.725 -13.999 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU B 23 9.529 -15.802 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.965 -16.588 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.918 -14.601 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU B 23 8.492 -13.836 -9.981 1.00 0.00 H new ATOM 1314 N THR B 24 6.005 -15.582 -6.601 1.00 0.00 N ATOM 1315 CA THR B 24 4.581 -15.413 -6.354 1.00 0.00 C ATOM 1316 C THR B 24 4.323 -14.057 -5.701 1.00 0.00 C ATOM 1317 O THR B 24 3.322 -13.400 -5.989 1.00 0.00 O ATOM 1318 CB THR B 24 4.022 -16.535 -5.460 1.00 0.00 C ATOM 1319 OG1 THR B 24 2.647 -16.276 -5.149 1.00 0.00 O ATOM 1320 CG2 THR B 24 4.825 -16.658 -4.176 1.00 0.00 C ATOM 0 H THR B 24 6.404 -16.437 -6.213 1.00 0.00 H new ATOM 0 HA THR B 24 4.069 -15.462 -7.315 1.00 0.00 H new ATOM 0 HB THR B 24 4.099 -17.475 -6.006 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.299 -16.995 -4.581 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.410 -17.457 -3.562 1.00 0.00 H new ATOM 0 HG22 THR B 24 5.863 -16.887 -4.417 1.00 0.00 H new ATOM 0 HG23 THR B 24 4.779 -15.718 -3.627 1.00 0.00 H new ATOM 1328 N LEU B 25 5.241 -13.635 -4.827 1.00 0.00 N ATOM 1329 CA LEU B 25 5.114 -12.350 -4.160 1.00 0.00 C ATOM 1330 C LEU B 25 5.396 -11.200 -5.119 1.00 0.00 C ATOM 1331 O LEU B 25 4.649 -10.231 -5.161 1.00 0.00 O ATOM 1332 CB LEU B 25 6.002 -12.244 -2.905 1.00 0.00 C ATOM 1333 CG LEU B 25 7.449 -12.752 -2.995 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.275 -11.964 -3.998 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.098 -12.675 -1.625 1.00 0.00 C ATOM 0 H LEU B 25 6.073 -14.166 -4.570 1.00 0.00 H new ATOM 0 HA LEU B 25 4.079 -12.276 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.035 -11.196 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.508 -12.788 -2.100 1.00 0.00 H new ATOM 0 HG LEU B 25 7.415 -13.785 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.290 -12.361 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU B 25 7.825 -12.050 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.303 -10.915 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.125 -13.035 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.097 -11.641 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.539 -13.293 -0.922 1.00 0.00 H new ATOM 1347 N GLU B 26 6.451 -11.299 -5.915 1.00 0.00 N ATOM 1348 CA GLU B 26 6.735 -10.232 -6.854 1.00 0.00 C ATOM 1349 C GLU B 26 5.549 -10.104 -7.790 1.00 0.00 C ATOM 1350 O GLU B 26 5.336 -9.069 -8.416 1.00 0.00 O ATOM 1351 CB GLU B 26 8.040 -10.466 -7.622 1.00 0.00 C ATOM 1352 CG GLU B 26 8.014 -11.666 -8.550 1.00 0.00 C ATOM 1353 CD GLU B 26 9.310 -11.830 -9.322 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.365 -11.999 -8.677 1.00 0.00 O ATOM 1355 OE2 GLU B 26 9.267 -11.792 -10.569 1.00 0.00 O ATOM 0 H GLU B 26 7.104 -12.082 -5.929 1.00 0.00 H new ATOM 0 HA GLU B 26 6.881 -9.300 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.268 -9.575 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.851 -10.594 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.825 -12.568 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU B 26 7.187 -11.561 -9.252 1.00 0.00 H new ATOM 1362 N GLU B 27 4.756 -11.171 -7.846 1.00 0.00 N ATOM 1363 CA GLU B 27 3.557 -11.188 -8.666 1.00 0.00 C ATOM 1364 C GLU B 27 2.386 -10.545 -7.921 1.00 0.00 C ATOM 1365 O GLU B 27 1.786 -9.585 -8.395 1.00 0.00 O ATOM 1366 CB GLU B 27 3.203 -12.627 -9.052 1.00 0.00 C ATOM 1367 CG GLU B 27 1.890 -12.758 -9.809 1.00 0.00 C ATOM 1368 CD GLU B 27 1.908 -12.051 -11.151 1.00 0.00 C ATOM 1369 OE1 GLU B 27 2.073 -10.814 -11.171 1.00 0.00 O ATOM 1370 OE2 GLU B 27 1.756 -12.737 -12.184 1.00 0.00 O ATOM 0 H GLU B 27 4.926 -12.035 -7.331 1.00 0.00 H new ATOM 0 HA GLU B 27 3.751 -10.613 -9.571 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.006 -13.036 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.151 -13.233 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.670 -13.814 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.083 -12.350 -9.200 1.00 0.00 H new ATOM 1377 N MET B 28 2.066 -11.103 -6.754 1.00 0.00 N ATOM 1378 CA MET B 28 0.961 -10.617 -5.929 1.00 0.00 C ATOM 1379 C MET B 28 1.400 -9.540 -4.929 1.00 0.00 C ATOM 1380 O MET B 28 0.732 -8.521 -4.775 1.00 0.00 O ATOM 1381 CB MET B 28 0.319 -11.790 -5.189 1.00 0.00 C ATOM 1382 CG MET B 28 -0.176 -12.886 -6.121 1.00 0.00 C ATOM 1383 SD MET B 28 -0.824 -14.319 -5.239 1.00 0.00 S ATOM 1384 CE MET B 28 -1.304 -15.370 -6.607 1.00 0.00 C ATOM 0 H MET B 28 2.562 -11.900 -6.356 1.00 0.00 H new ATOM 0 HA MET B 28 0.235 -10.153 -6.597 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.044 -12.213 -4.493 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.517 -11.422 -4.594 1.00 0.00 H new ATOM 0 HG2 MET B 28 -0.955 -12.481 -6.768 1.00 0.00 H new ATOM 0 HG3 MET B 28 0.642 -13.203 -6.767 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.725 -16.299 -6.222 1.00 0.00 H new ATOM 0 HE2 MET B 28 -2.050 -14.858 -7.215 1.00 0.00 H new ATOM 0 HE3 MET B 28 -0.430 -15.593 -7.218 1.00 0.00 H new ATOM 1394 N LEU B 29 2.517 -9.785 -4.249 1.00 0.00 N ATOM 1395 CA LEU B 29 3.054 -8.846 -3.250 1.00 0.00 C ATOM 1396 C LEU B 29 3.404 -7.501 -3.889 1.00 0.00 C ATOM 1397 O LEU B 29 3.369 -6.464 -3.231 1.00 0.00 O ATOM 1398 CB LEU B 29 4.270 -9.482 -2.549 1.00 0.00 C ATOM 1399 CG LEU B 29 5.127 -8.552 -1.685 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.335 -8.043 -0.498 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.368 -9.285 -1.201 1.00 0.00 C ATOM 0 H LEU B 29 3.076 -10.630 -4.368 1.00 0.00 H new ATOM 0 HA LEU B 29 2.289 -8.646 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.913 -10.298 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.910 -9.924 -3.312 1.00 0.00 H new ATOM 0 HG LEU B 29 5.428 -7.699 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.962 -7.384 0.103 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.464 -7.492 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.008 -8.887 0.110 1.00 0.00 H new ATOM 0 HD21 LEU B 29 6.970 -8.615 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.071 -10.151 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU B 29 6.953 -9.616 -2.059 1.00 0.00 H new ATOM 1413 N GLU B 30 3.720 -7.519 -5.181 1.00 0.00 N ATOM 1414 CA GLU B 30 4.050 -6.291 -5.906 1.00 0.00 C ATOM 1415 C GLU B 30 2.794 -5.476 -6.201 1.00 0.00 C ATOM 1416 O GLU B 30 2.831 -4.248 -6.244 1.00 0.00 O ATOM 1417 CB GLU B 30 4.765 -6.616 -7.219 1.00 0.00 C ATOM 1418 CG GLU B 30 5.014 -5.400 -8.097 1.00 0.00 C ATOM 1419 CD GLU B 30 5.685 -5.757 -9.409 1.00 0.00 C ATOM 1420 OE1 GLU B 30 5.105 -6.553 -10.175 1.00 0.00 O ATOM 1421 OE2 GLU B 30 6.791 -5.236 -9.671 1.00 0.00 O ATOM 0 H GLU B 30 3.755 -8.366 -5.748 1.00 0.00 H new ATOM 0 HA GLU B 30 4.712 -5.701 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.719 -7.092 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.171 -7.340 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.065 -4.903 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.637 -4.687 -7.556 1.00 0.00 H new ATOM 1428 N LYS B 31 1.684 -6.170 -6.415 1.00 0.00 N ATOM 1429 CA LYS B 31 0.416 -5.515 -6.712 1.00 0.00 C ATOM 1430 C LYS B 31 -0.296 -5.178 -5.419 1.00 0.00 C ATOM 1431 O LYS B 31 -1.072 -4.225 -5.331 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.447 -6.418 -7.583 1.00 0.00 C ATOM 1433 CG LYS B 31 0.355 -7.119 -8.660 1.00 0.00 C ATOM 1434 CD LYS B 31 1.075 -6.130 -9.564 1.00 0.00 C ATOM 1435 CE LYS B 31 1.964 -6.841 -10.570 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.188 -7.754 -11.453 1.00 0.00 N ATOM 0 H LYS B 31 1.636 -7.189 -6.388 1.00 0.00 H new ATOM 0 HA LYS B 31 0.604 -4.591 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.937 -7.163 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.234 -5.825 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.084 -7.784 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.309 -7.742 -9.259 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.343 -5.518 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.678 -5.454 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.484 -6.102 -11.180 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.727 -7.411 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.446 -7.580 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.404 -8.741 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.171 -7.580 -11.324 1.00 0.00 H new ATOM 1450 N LEU B 32 -0.005 -5.980 -4.416 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.576 -5.804 -3.104 1.00 0.00 C ATOM 1452 C LEU B 32 -0.041 -4.527 -2.480 1.00 0.00 C ATOM 1453 O LEU B 32 -0.679 -3.918 -1.622 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.253 -7.010 -2.245 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.953 -7.018 -0.892 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.454 -6.853 -1.075 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.641 -8.299 -0.149 1.00 0.00 C ATOM 0 H LEU B 32 0.634 -6.771 -4.491 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.660 -5.717 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.528 -7.914 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.824 -7.050 -2.084 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.586 -6.180 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.942 -6.860 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.658 -5.906 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.839 -7.674 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.147 -8.292 0.816 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.986 -9.152 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.435 -8.377 0.006 1.00 0.00 H new ATOM 1469 N GLU B 33 1.134 -4.114 -2.932 1.00 0.00 N ATOM 1470 CA GLU B 33 1.733 -2.883 -2.439 1.00 0.00 C ATOM 1471 C GLU B 33 1.210 -1.707 -3.243 1.00 0.00 C ATOM 1472 O GLU B 33 0.979 -0.626 -2.701 1.00 0.00 O ATOM 1473 CB GLU B 33 3.263 -2.949 -2.468 1.00 0.00 C ATOM 1474 CG GLU B 33 3.870 -3.075 -3.857 1.00 0.00 C ATOM 1475 CD GLU B 33 4.272 -1.738 -4.455 1.00 0.00 C ATOM 1476 OE1 GLU B 33 3.396 -0.862 -4.609 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.468 -1.568 -4.771 1.00 0.00 O ATOM 0 H GLU B 33 1.687 -4.608 -3.633 1.00 0.00 H new ATOM 0 HA GLU B 33 1.448 -2.749 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.660 -2.052 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.587 -3.798 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU B 33 4.746 -3.722 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.152 -3.561 -4.518 1.00 0.00 H new ATOM 1484 N VAL B 34 1.006 -1.927 -4.546 1.00 0.00 N ATOM 1485 CA VAL B 34 0.488 -0.878 -5.410 1.00 0.00 C ATOM 1486 C VAL B 34 -0.959 -0.582 -5.054 1.00 0.00 C ATOM 1487 O VAL B 34 -1.387 0.574 -5.096 1.00 0.00 O ATOM 1488 CB VAL B 34 0.597 -1.216 -6.912 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.020 -1.605 -7.272 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.386 -2.306 -7.305 1.00 0.00 C ATOM 0 H VAL B 34 1.191 -2.814 -5.015 1.00 0.00 H new ATOM 0 HA VAL B 34 1.108 0.002 -5.239 1.00 0.00 H new ATOM 0 HB VAL B 34 0.337 -0.322 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.075 -1.839 -8.335 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.692 -0.776 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.316 -2.479 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.284 -2.521 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.177 -3.209 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.402 -1.971 -7.098 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.716 -1.623 -4.669 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.103 -1.408 -4.278 1.00 0.00 C ATOM 1502 C VAL B 35 -3.127 -0.364 -3.182 1.00 0.00 C ATOM 1503 O VAL B 35 -3.806 0.651 -3.297 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.824 -2.679 -3.759 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -4.198 -3.627 -4.881 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -2.991 -3.396 -2.721 1.00 0.00 C ATOM 0 H VAL B 35 -1.396 -2.591 -4.623 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.637 -1.093 -5.174 1.00 0.00 H new ATOM 0 HB VAL B 35 -4.749 -2.342 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.700 -4.501 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -4.866 -3.121 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.297 -3.942 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -3.523 -4.283 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -2.038 -3.692 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -2.810 -2.731 -1.877 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.345 -0.601 -2.129 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.272 0.357 -1.038 1.00 0.00 C ATOM 1518 C VAL B 36 -1.462 1.570 -1.435 1.00 0.00 C ATOM 1519 O VAL B 36 -1.683 2.637 -0.911 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.688 -0.207 0.272 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -2.779 -0.294 1.331 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -0.986 -1.538 0.048 1.00 0.00 C ATOM 0 H VAL B 36 -1.766 -1.432 -2.013 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.310 0.624 -0.842 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.922 0.477 0.637 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -2.359 -0.693 2.254 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -3.185 0.700 1.518 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.575 -0.951 0.980 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.588 -1.903 0.995 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.697 -2.262 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.169 -1.404 -0.661 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.527 1.409 -2.362 1.00 0.00 N ATOM 1533 CA ASN B 37 0.290 2.536 -2.805 1.00 0.00 C ATOM 1534 C ASN B 37 -0.612 3.710 -3.137 1.00 0.00 C ATOM 1535 O ASN B 37 -0.327 4.856 -2.778 1.00 0.00 O ATOM 1536 CB ASN B 37 1.131 2.144 -4.020 1.00 0.00 C ATOM 1537 CG ASN B 37 1.905 3.310 -4.599 1.00 0.00 C ATOM 1538 OD1 ASN B 37 2.702 3.948 -3.911 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.676 3.591 -5.877 1.00 0.00 N ATOM 0 H ASN B 37 -0.315 0.522 -2.818 1.00 0.00 H new ATOM 0 HA ASN B 37 0.971 2.823 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.829 1.357 -3.734 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.479 1.729 -4.789 1.00 0.00 H new ATOM 0 HD21 ASN B 37 2.170 4.362 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN B 37 1.006 3.035 -6.409 1.00 0.00 H new ATOM 1546 N GLU B 38 -1.724 3.404 -3.789 1.00 0.00 N ATOM 1547 CA GLU B 38 -2.706 4.417 -4.138 1.00 0.00 C ATOM 1548 C GLU B 38 -3.383 4.914 -2.870 1.00 0.00 C ATOM 1549 O GLU B 38 -3.754 6.079 -2.761 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.746 3.847 -5.099 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.160 3.361 -6.415 1.00 0.00 C ATOM 1552 CD GLU B 38 -2.464 4.463 -7.187 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -3.132 5.462 -7.529 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -1.250 4.331 -7.449 1.00 0.00 O ATOM 0 H GLU B 38 -1.968 2.460 -4.087 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.203 5.247 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.262 3.019 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.495 4.612 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.451 2.557 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -3.956 2.940 -7.029 1.00 0.00 H new ATOM 1561 N ARG B 39 -3.539 4.001 -1.917 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.168 4.304 -0.635 1.00 0.00 C ATOM 1563 C ARG B 39 -3.215 5.041 0.306 1.00 0.00 C ATOM 1564 O ARG B 39 -3.602 5.990 0.981 1.00 0.00 O ATOM 1565 CB ARG B 39 -4.655 3.010 0.023 1.00 0.00 C ATOM 1566 CG ARG B 39 -5.918 2.446 -0.601 1.00 0.00 C ATOM 1567 CD ARG B 39 -5.723 2.070 -2.053 1.00 0.00 C ATOM 1568 NE ARG B 39 -6.990 1.806 -2.731 1.00 0.00 N ATOM 1569 CZ ARG B 39 -7.876 2.753 -3.034 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -7.606 4.025 -2.775 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -9.024 2.430 -3.610 1.00 0.00 N ATOM 0 H ARG B 39 -3.234 3.032 -2.010 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.016 4.961 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -3.865 2.262 -0.038 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -4.836 3.197 1.082 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -6.236 1.567 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -6.719 3.181 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.199 2.875 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.089 1.186 -2.115 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.208 0.843 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.718 4.280 -2.343 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.286 4.748 -3.008 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.231 1.454 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.701 3.157 -3.841 1.00 0.00 H new ATOM 1585 N ARG B 40 -1.965 4.613 0.347 1.00 0.00 N ATOM 1586 CA ARG B 40 -0.984 5.248 1.205 1.00 0.00 C ATOM 1587 C ARG B 40 -0.956 6.736 0.904 1.00 0.00 C ATOM 1588 O ARG B 40 -0.826 7.565 1.804 1.00 0.00 O ATOM 1589 CB ARG B 40 0.406 4.617 1.012 1.00 0.00 C ATOM 1590 CG ARG B 40 0.481 3.137 1.396 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.127 2.885 2.767 1.00 0.00 C ATOM 1592 NE ARG B 40 0.439 3.762 3.788 1.00 0.00 N ATOM 1593 CZ ARG B 40 0.026 3.783 5.051 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -0.943 2.969 5.450 1.00 0.00 N ATOM 1595 NH2 ARG B 40 0.582 4.619 5.918 1.00 0.00 N ATOM 0 H ARG B 40 -1.608 3.831 -0.202 1.00 0.00 H new ATOM 0 HA ARG B 40 -1.263 5.098 2.248 1.00 0.00 H new ATOM 0 HB2 ARG B 40 0.700 4.726 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.131 5.173 1.607 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.042 2.539 0.649 1.00 0.00 H new ATOM 0 HG3 ARG B 40 1.521 2.812 1.393 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.206 3.035 2.718 1.00 0.00 H new ATOM 0 HD3 ARG B 40 0.038 1.846 3.051 1.00 0.00 H new ATOM 0 HE ARG B 40 1.193 4.393 3.517 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -1.373 2.325 4.787 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -1.258 2.988 6.420 1.00 0.00 H new ATOM 0 HH21 ARG B 40 1.327 5.246 5.615 1.00 0.00 H new ATOM 0 HH22 ARG B 40 0.264 4.634 6.887 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.093 7.062 -0.377 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.099 8.447 -0.822 1.00 0.00 C ATOM 1611 C GLU B 41 -2.503 9.073 -0.782 1.00 0.00 C ATOM 1612 O GLU B 41 -2.671 10.201 -0.316 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.530 8.528 -2.238 1.00 0.00 C ATOM 1614 CG GLU B 41 -0.709 9.889 -2.883 1.00 0.00 C ATOM 1615 CD GLU B 41 -0.150 9.949 -4.291 1.00 0.00 C ATOM 1616 OE1 GLU B 41 0.380 8.923 -4.767 1.00 0.00 O ATOM 1617 OE2 GLU B 41 -0.242 11.025 -4.920 1.00 0.00 O ATOM 0 H GLU B 41 -1.202 6.380 -1.128 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.477 9.017 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU B 41 0.532 8.285 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -1.013 7.774 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.770 10.138 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.218 10.644 -2.269 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.499 8.357 -1.307 1.00 0.00 N ATOM 1625 CA GLU B 42 -4.872 8.867 -1.365 1.00 0.00 C ATOM 1626 C GLU B 42 -5.680 8.551 -0.110 1.00 0.00 C ATOM 1627 O GLU B 42 -6.398 9.407 0.404 1.00 0.00 O ATOM 1628 CB GLU B 42 -5.593 8.309 -2.593 1.00 0.00 C ATOM 1629 CG GLU B 42 -4.947 8.697 -3.914 1.00 0.00 C ATOM 1630 CD GLU B 42 -4.963 10.194 -4.163 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -4.346 10.936 -3.369 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -5.592 10.624 -5.152 1.00 0.00 O ATOM 0 H GLU B 42 -3.382 7.422 -1.698 1.00 0.00 H new ATOM 0 HA GLU B 42 -4.796 9.952 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.625 7.222 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -6.625 8.660 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -3.916 8.343 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.467 8.193 -4.729 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.586 7.319 0.371 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.338 6.921 1.554 1.00 0.00 C ATOM 1641 C GLU B 43 -5.952 7.795 2.736 1.00 0.00 C ATOM 1642 O GLU B 43 -6.819 8.322 3.436 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.097 5.453 1.882 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.143 4.860 2.808 1.00 0.00 C ATOM 1645 CD GLU B 43 -7.284 5.621 4.114 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -6.270 5.779 4.822 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -8.412 6.058 4.427 1.00 0.00 O ATOM 0 H GLU B 43 -5.004 6.585 -0.033 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.400 7.053 1.347 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.077 4.880 0.955 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.114 5.348 2.342 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -8.106 4.846 2.297 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.882 3.824 3.025 1.00 0.00 H new ATOM 1654 N SER B 44 -4.648 7.966 2.943 1.00 0.00 N ATOM 1655 CA SER B 44 -4.164 8.805 4.028 1.00 0.00 C ATOM 1656 C SER B 44 -4.795 10.178 3.893 1.00 0.00 C ATOM 1657 O SER B 44 -5.115 10.841 4.881 1.00 0.00 O ATOM 1658 CB SER B 44 -2.638 8.915 3.987 1.00 0.00 C ATOM 1659 OG SER B 44 -2.205 9.555 2.800 1.00 0.00 O ATOM 0 H SER B 44 -3.916 7.537 2.377 1.00 0.00 H new ATOM 0 HA SER B 44 -4.440 8.361 4.985 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.287 9.474 4.854 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.197 7.920 4.049 1.00 0.00 H new ATOM 0 HG SER B 44 -1.528 9.001 2.358 1.00 0.00 H new ATOM 1665 N ALA B 45 -4.996 10.577 2.642 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.619 11.846 2.319 1.00 0.00 C ATOM 1667 C ALA B 45 -7.073 11.841 2.776 1.00 0.00 C ATOM 1668 O ALA B 45 -7.567 12.821 3.335 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.527 12.097 0.823 1.00 0.00 C ATOM 0 H ALA B 45 -4.730 10.026 1.826 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.097 12.649 2.839 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -5.996 13.051 0.585 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.480 12.122 0.522 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.039 11.297 0.288 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.748 10.716 2.539 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.144 10.555 2.930 1.00 0.00 C ATOM 1677 C ALA B 46 -9.293 10.634 4.446 1.00 0.00 C ATOM 1678 O ALA B 46 -10.247 11.219 4.958 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.685 9.226 2.416 1.00 0.00 C ATOM 0 H ALA B 46 -7.346 9.901 2.076 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.721 11.366 2.486 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.728 9.118 2.714 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.614 9.200 1.329 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.100 8.408 2.837 1.00 0.00 H new