USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 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 44 GLN : amide:sc= -5.96! C(o=-9.4!,f=-9.3!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.48! C(o=-9.4!,f=-9.3!) USER MOD Single : A 1 PHE N :NH3+ 150:sc= 0.953 (180deg=0.346) USER MOD Single : A 7 LYS NZ :NH3+ -125:sc= -1.66 (180deg=-4.24!) USER MOD Single : A 9 GLN : amide:sc= -0.0387 K(o=-0.039,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -3:sc= 1.11 USER MOD Single : A 16 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-4.4!) USER MOD Single : A 17 SER OG : rot 4:sc= 0.935 USER MOD Single : A 18 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.6!) USER MOD Single : A 22 MET CE :methyl -160:sc= -0.0614 (180deg=-1.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 95:sc= 0.13 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0303 (180deg=-0.336) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.455 K(o=0.46,f=-2.4!) USER MOD Single : A 53 GLN :FLIP amide:sc= -2.17! C(o=-2.8!,f=-2.2!) USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.929 (180deg=0.369) USER MOD Single : B 7 LYS NZ :NH3+ -130:sc= -1.59 (180deg=-4.32!) USER MOD Single : B 9 GLN : amide:sc= -0.0668 K(o=-0.067,f=-1.7!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -39:sc= 0.969 USER MOD Single : B 16 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-4.3!) USER MOD Single : B 17 SER OG : rot 2:sc= 0.825 USER MOD Single : B 18 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.7!) USER MOD Single : B 22 MET CE :methyl -158:sc= -0.0928 (180deg=-1.16) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 93:sc= 0.114 USER MOD Single : B 42 LYS NZ :NH3+ 162:sc= -0.0335 (180deg=-0.356) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0.359 K(o=0.36,f=-2.3!) USER MOD Single : B 53 GLN :FLIP amide:sc= -2.23! C(o=-2.8!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.449 -4.713 23.708 1.00 0.00 N ATOM 2 CA PHE A 1 95.178 -3.975 24.974 1.00 0.00 C ATOM 3 C PHE A 1 95.283 -2.475 24.711 1.00 0.00 C ATOM 4 O PHE A 1 96.356 -1.939 24.524 1.00 0.00 O ATOM 5 CB PHE A 1 96.197 -4.396 26.035 1.00 0.00 C ATOM 6 CG PHE A 1 96.404 -5.895 25.963 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.368 -6.762 26.334 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.624 -6.418 25.515 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.553 -8.149 26.261 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.807 -7.805 25.441 1.00 0.00 C ATOM 11 CZ PHE A 1 96.773 -8.669 25.814 1.00 0.00 C ATOM 0 H1 PHE A 1 95.874 -5.636 23.929 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.557 -4.857 23.192 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.105 -4.162 23.118 1.00 0.00 H new ATOM 0 HA PHE A 1 94.175 -4.207 25.333 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.143 -3.879 25.873 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.844 -4.113 27.027 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.426 -6.361 26.677 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.424 -5.752 25.227 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.754 -8.816 26.550 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.748 -8.207 25.095 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.916 -9.738 25.757 1.00 0.00 H new ATOM 23 N LEU A 2 94.164 -1.793 24.676 1.00 0.00 N ATOM 24 CA LEU A 2 94.181 -0.323 24.402 1.00 0.00 C ATOM 25 C LEU A 2 94.078 0.468 25.696 1.00 0.00 C ATOM 26 O LEU A 2 93.322 0.140 26.580 1.00 0.00 O ATOM 27 CB LEU A 2 93.000 0.046 23.502 1.00 0.00 C ATOM 28 CG LEU A 2 93.067 -0.747 22.192 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.864 -0.369 21.324 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.375 -0.423 21.442 1.00 0.00 C ATOM 0 H LEU A 2 93.238 -2.193 24.826 1.00 0.00 H new ATOM 0 HA LEU A 2 95.122 -0.078 23.909 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.062 -0.164 24.016 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.015 1.115 23.290 1.00 0.00 H new ATOM 0 HG LEU A 2 93.047 -1.815 22.410 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.901 -0.927 20.388 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.943 -0.610 21.854 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.891 0.699 21.110 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.412 -0.992 20.513 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.411 0.643 21.217 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.228 -0.691 22.066 1.00 0.00 H new ATOM 42 N ASP A 3 94.823 1.530 25.791 1.00 0.00 N ATOM 43 CA ASP A 3 94.766 2.377 27.009 1.00 0.00 C ATOM 44 C ASP A 3 93.346 2.906 27.164 1.00 0.00 C ATOM 45 O ASP A 3 92.798 2.963 28.249 1.00 0.00 O ATOM 46 CB ASP A 3 95.720 3.555 26.843 1.00 0.00 C ATOM 47 CG ASP A 3 95.354 4.342 25.583 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.742 3.765 24.701 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.693 5.513 25.525 1.00 0.00 O ATOM 0 H ASP A 3 95.473 1.849 25.072 1.00 0.00 H new ATOM 0 HA ASP A 3 95.050 1.795 27.886 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.667 4.204 27.717 1.00 0.00 H new ATOM 0 HB3 ASP A 3 96.747 3.197 26.774 1.00 0.00 H new ATOM 54 N GLY A 4 92.743 3.276 26.075 1.00 0.00 N ATOM 55 CA GLY A 4 91.342 3.795 26.121 1.00 0.00 C ATOM 56 C GLY A 4 90.472 2.838 26.944 1.00 0.00 C ATOM 57 O GLY A 4 89.350 3.147 27.296 1.00 0.00 O ATOM 0 H GLY A 4 93.159 3.243 25.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.326 4.791 26.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.944 3.889 25.111 1.00 0.00 H new ATOM 61 N ILE A 5 90.989 1.683 27.267 1.00 0.00 N ATOM 62 CA ILE A 5 90.207 0.710 28.077 1.00 0.00 C ATOM 63 C ILE A 5 89.859 1.363 29.420 1.00 0.00 C ATOM 64 O ILE A 5 88.814 1.113 29.990 1.00 0.00 O ATOM 65 CB ILE A 5 91.043 -0.567 28.276 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.987 -1.409 26.997 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.499 -1.387 29.457 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.031 -2.525 27.072 1.00 0.00 C ATOM 0 H ILE A 5 91.924 1.372 27.003 1.00 0.00 H new ATOM 0 HA ILE A 5 89.282 0.435 27.570 1.00 0.00 H new ATOM 0 HB ILE A 5 92.074 -0.287 28.492 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.992 -1.836 26.874 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.174 -0.780 26.127 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.102 -2.286 29.584 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.544 -0.789 30.367 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.465 -1.668 29.259 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.990 -3.123 26.162 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.024 -2.088 27.175 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.823 -3.160 27.933 1.00 0.00 H new ATOM 80 N ASP A 6 90.710 2.216 29.916 1.00 0.00 N ATOM 81 CA ASP A 6 90.408 2.901 31.204 1.00 0.00 C ATOM 82 C ASP A 6 89.112 3.693 31.031 1.00 0.00 C ATOM 83 O ASP A 6 88.275 3.740 31.908 1.00 0.00 O ATOM 84 CB ASP A 6 91.549 3.860 31.559 1.00 0.00 C ATOM 85 CG ASP A 6 91.236 4.560 32.884 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.123 4.414 33.361 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.112 5.239 33.396 1.00 0.00 O ATOM 0 H ASP A 6 91.600 2.469 29.487 1.00 0.00 H new ATOM 0 HA ASP A 6 90.301 2.168 32.003 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.488 3.311 31.638 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.677 4.598 30.767 1.00 0.00 H new ATOM 92 N LYS A 7 88.942 4.314 29.898 1.00 0.00 N ATOM 93 CA LYS A 7 87.701 5.097 29.658 1.00 0.00 C ATOM 94 C LYS A 7 86.499 4.147 29.649 1.00 0.00 C ATOM 95 O LYS A 7 85.440 4.467 30.149 1.00 0.00 O ATOM 96 CB LYS A 7 87.793 5.811 28.306 1.00 0.00 C ATOM 97 CG LYS A 7 86.550 6.679 28.112 1.00 0.00 C ATOM 98 CD LYS A 7 86.734 7.587 26.889 1.00 0.00 C ATOM 99 CE LYS A 7 86.757 6.753 25.602 1.00 0.00 C ATOM 100 NZ LYS A 7 88.119 6.184 25.400 1.00 0.00 N ATOM 0 H LYS A 7 89.610 4.313 29.127 1.00 0.00 H new ATOM 0 HA LYS A 7 87.581 5.837 30.449 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.691 6.427 28.267 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.871 5.081 27.500 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.672 6.047 27.978 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.375 7.284 29.002 1.00 0.00 H new ATOM 0 HD2 LYS A 7 85.924 8.315 26.844 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.663 8.149 26.982 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.022 5.950 25.663 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.481 7.374 24.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.473 6.455 24.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.761 6.552 26.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.076 5.147 25.467 1.00 0.00 H new ATOM 114 N ALA A 8 86.654 2.983 29.079 1.00 0.00 N ATOM 115 CA ALA A 8 85.521 2.015 29.032 1.00 0.00 C ATOM 116 C ALA A 8 85.064 1.694 30.456 1.00 0.00 C ATOM 117 O ALA A 8 83.898 1.458 30.701 1.00 0.00 O ATOM 118 CB ALA A 8 85.981 0.734 28.336 1.00 0.00 C ATOM 0 H ALA A 8 87.518 2.660 28.643 1.00 0.00 H new ATOM 0 HA ALA A 8 84.689 2.450 28.478 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.155 0.023 28.299 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.304 0.967 27.321 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.812 0.297 28.890 1.00 0.00 H new ATOM 124 N GLN A 9 85.962 1.688 31.401 1.00 0.00 N ATOM 125 CA GLN A 9 85.551 1.391 32.802 1.00 0.00 C ATOM 126 C GLN A 9 84.527 2.435 33.253 1.00 0.00 C ATOM 127 O GLN A 9 83.556 2.128 33.912 1.00 0.00 O ATOM 128 CB GLN A 9 86.772 1.463 33.720 1.00 0.00 C ATOM 129 CG GLN A 9 87.716 0.287 33.438 1.00 0.00 C ATOM 130 CD GLN A 9 89.032 0.511 34.183 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.385 1.632 34.490 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.775 -0.515 34.495 1.00 0.00 N ATOM 0 H GLN A 9 86.956 1.874 31.266 1.00 0.00 H new ATOM 0 HA GLN A 9 85.116 0.393 32.851 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.297 2.406 33.566 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.454 1.442 34.762 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.257 -0.648 33.758 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.900 0.201 32.367 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.479 -1.456 34.237 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.652 -0.376 34.997 1.00 0.00 H new ATOM 141 N GLU A 10 84.747 3.673 32.895 1.00 0.00 N ATOM 142 CA GLU A 10 83.802 4.757 33.290 1.00 0.00 C ATOM 143 C GLU A 10 82.408 4.483 32.724 1.00 0.00 C ATOM 144 O GLU A 10 81.408 4.734 33.365 1.00 0.00 O ATOM 145 CB GLU A 10 84.316 6.097 32.763 1.00 0.00 C ATOM 146 CG GLU A 10 85.564 6.512 33.544 1.00 0.00 C ATOM 147 CD GLU A 10 86.113 7.819 32.967 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.915 7.750 32.051 1.00 0.00 O ATOM 149 OE2 GLU A 10 85.720 8.868 33.451 1.00 0.00 O ATOM 0 H GLU A 10 85.547 3.981 32.342 1.00 0.00 H new ATOM 0 HA GLU A 10 83.737 4.790 34.378 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.549 6.016 31.701 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.543 6.859 32.862 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.320 6.641 34.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.320 5.729 33.485 1.00 0.00 H new ATOM 156 N GLU A 11 82.332 3.992 31.515 1.00 0.00 N ATOM 157 CA GLU A 11 80.999 3.723 30.892 1.00 0.00 C ATOM 158 C GLU A 11 80.546 2.298 31.213 1.00 0.00 C ATOM 159 O GLU A 11 79.487 1.867 30.799 1.00 0.00 O ATOM 160 CB GLU A 11 81.123 3.884 29.374 1.00 0.00 C ATOM 161 CG GLU A 11 81.389 5.351 29.038 1.00 0.00 C ATOM 162 CD GLU A 11 81.516 5.519 27.525 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.582 4.512 26.841 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.547 6.651 27.076 1.00 0.00 O ATOM 0 H GLU A 11 83.136 3.765 30.930 1.00 0.00 H new ATOM 0 HA GLU A 11 80.265 4.425 31.288 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.933 3.260 28.996 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.208 3.548 28.886 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.578 5.973 29.416 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.303 5.686 29.529 1.00 0.00 H new ATOM 171 N CYS A 12 81.328 1.565 31.958 1.00 0.00 N ATOM 172 CA CYS A 12 80.928 0.174 32.309 1.00 0.00 C ATOM 173 C CYS A 12 79.501 0.188 32.862 1.00 0.00 C ATOM 174 O CYS A 12 78.663 -0.600 32.470 1.00 0.00 O ATOM 175 CB CYS A 12 81.883 -0.376 33.372 1.00 0.00 C ATOM 176 SG CYS A 12 81.408 -2.069 33.794 1.00 0.00 S ATOM 0 H CYS A 12 82.225 1.869 32.338 1.00 0.00 H new ATOM 0 HA CYS A 12 80.971 -0.458 31.422 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.907 -0.357 33.000 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.855 0.253 34.262 1.00 0.00 H new ATOM 181 N GLU A 13 79.218 1.082 33.770 1.00 0.00 N ATOM 182 CA GLU A 13 77.847 1.153 34.350 1.00 0.00 C ATOM 183 C GLU A 13 76.848 1.438 33.227 1.00 0.00 C ATOM 184 O GLU A 13 75.759 0.899 33.200 1.00 0.00 O ATOM 185 CB GLU A 13 77.787 2.267 35.399 1.00 0.00 C ATOM 186 CG GLU A 13 78.611 1.858 36.622 1.00 0.00 C ATOM 187 CD GLU A 13 80.095 1.910 36.269 1.00 0.00 C ATOM 188 OE1 GLU A 13 80.433 2.582 35.309 1.00 0.00 O ATOM 189 OE2 GLU A 13 80.870 1.279 36.964 1.00 0.00 O ATOM 0 H GLU A 13 79.879 1.768 34.136 1.00 0.00 H new ATOM 0 HA GLU A 13 77.598 0.206 34.829 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.173 3.197 34.981 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.753 2.453 35.689 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.400 2.526 37.457 1.00 0.00 H new ATOM 0 HG3 GLU A 13 78.336 0.853 36.941 1.00 0.00 H new ATOM 196 N LYS A 14 77.208 2.281 32.299 1.00 0.00 N ATOM 197 CA LYS A 14 76.280 2.597 31.178 1.00 0.00 C ATOM 198 C LYS A 14 75.988 1.316 30.397 1.00 0.00 C ATOM 199 O LYS A 14 74.875 1.073 29.975 1.00 0.00 O ATOM 200 CB LYS A 14 76.914 3.635 30.248 1.00 0.00 C ATOM 201 CG LYS A 14 75.922 4.002 29.141 1.00 0.00 C ATOM 202 CD LYS A 14 76.541 5.054 28.221 1.00 0.00 C ATOM 203 CE LYS A 14 75.498 5.494 27.190 1.00 0.00 C ATOM 204 NZ LYS A 14 76.068 6.567 26.329 1.00 0.00 N ATOM 0 H LYS A 14 78.105 2.765 32.269 1.00 0.00 H new ATOM 0 HA LYS A 14 75.352 3.005 31.579 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.190 4.525 30.813 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.831 3.237 29.812 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.658 3.114 28.567 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.000 4.385 29.578 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.879 5.911 28.804 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.417 4.645 27.718 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.196 4.644 26.578 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.603 5.856 27.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.358 6.865 25.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.335 7.381 26.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.910 6.206 25.836 1.00 0.00 H new ATOM 218 N TYR A 15 76.981 0.492 30.200 1.00 0.00 N ATOM 219 CA TYR A 15 76.757 -0.774 29.445 1.00 0.00 C ATOM 220 C TYR A 15 76.240 -1.843 30.407 1.00 0.00 C ATOM 221 O TYR A 15 75.710 -2.857 29.999 1.00 0.00 O ATOM 222 CB TYR A 15 78.077 -1.241 28.832 1.00 0.00 C ATOM 223 CG TYR A 15 78.494 -0.268 27.754 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.783 -0.216 26.552 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.584 0.588 27.958 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.158 0.688 25.554 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.961 1.493 26.961 1.00 0.00 C ATOM 228 CZ TYR A 15 79.248 1.543 25.757 1.00 0.00 C ATOM 229 OH TYR A 15 79.620 2.435 24.771 1.00 0.00 O ATOM 0 H TYR A 15 77.935 0.640 30.528 1.00 0.00 H new ATOM 0 HA TYR A 15 76.028 -0.606 28.652 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.847 -1.303 29.601 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.964 -2.241 28.413 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.942 -0.875 26.394 1.00 0.00 H new ATOM 0 HD2 TYR A 15 80.134 0.549 28.887 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.607 0.727 24.626 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.801 2.153 27.119 1.00 0.00 H new ATOM 0 HH TYR A 15 79.052 2.306 23.982 1.00 0.00 H new ATOM 239 N HIS A 16 76.380 -1.615 31.685 1.00 0.00 N ATOM 240 CA HIS A 16 75.884 -2.603 32.685 1.00 0.00 C ATOM 241 C HIS A 16 76.551 -3.959 32.452 1.00 0.00 C ATOM 242 O HIS A 16 77.744 -4.048 32.240 1.00 0.00 O ATOM 243 CB HIS A 16 74.361 -2.746 32.560 1.00 0.00 C ATOM 244 CG HIS A 16 73.731 -1.377 32.533 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.515 -0.684 31.349 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.266 -0.560 33.535 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.944 0.493 31.666 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.772 0.616 32.983 1.00 0.00 N ATOM 0 H HIS A 16 76.818 -0.783 32.081 1.00 0.00 H new ATOM 0 HA HIS A 16 76.131 -2.252 33.687 1.00 0.00 H new ATOM 0 HB2 HIS A 16 74.109 -3.292 31.651 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.969 -3.323 33.398 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.282 -0.795 34.589 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.660 1.244 30.944 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.364 1.407 33.481 1.00 0.00 H new ATOM 257 N SER A 17 75.788 -5.017 32.502 1.00 0.00 N ATOM 258 CA SER A 17 76.365 -6.378 32.297 1.00 0.00 C ATOM 259 C SER A 17 76.447 -6.693 30.799 1.00 0.00 C ATOM 260 O SER A 17 76.921 -7.739 30.402 1.00 0.00 O ATOM 261 CB SER A 17 75.472 -7.411 32.985 1.00 0.00 C ATOM 262 OG SER A 17 75.781 -8.710 32.495 1.00 0.00 O ATOM 0 H SER A 17 74.783 -4.998 32.677 1.00 0.00 H new ATOM 0 HA SER A 17 77.368 -6.412 32.723 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.620 -7.374 34.064 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.423 -7.181 32.799 1.00 0.00 H new ATOM 0 HG SER A 17 76.537 -8.654 31.874 1.00 0.00 H new ATOM 268 N ASN A 18 75.985 -5.803 29.964 1.00 0.00 N ATOM 269 CA ASN A 18 76.034 -6.070 28.498 1.00 0.00 C ATOM 270 C ASN A 18 77.440 -5.772 27.967 1.00 0.00 C ATOM 271 O ASN A 18 77.687 -4.729 27.393 1.00 0.00 O ATOM 272 CB ASN A 18 75.037 -5.160 27.779 1.00 0.00 C ATOM 273 CG ASN A 18 73.608 -5.593 28.104 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.367 -6.728 28.465 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.645 -4.722 27.991 1.00 0.00 N ATOM 0 H ASN A 18 75.578 -4.907 30.231 1.00 0.00 H new ATOM 0 HA ASN A 18 75.783 -7.115 28.318 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.191 -4.125 28.084 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.203 -5.203 26.703 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.685 -4.992 28.206 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.851 -3.770 27.688 1.00 0.00 H new ATOM 282 N TRP A 19 78.359 -6.679 28.144 1.00 0.00 N ATOM 283 CA TRP A 19 79.739 -6.446 27.637 1.00 0.00 C ATOM 284 C TRP A 19 79.748 -6.508 26.105 1.00 0.00 C ATOM 285 O TRP A 19 80.617 -5.961 25.455 1.00 0.00 O ATOM 286 CB TRP A 19 80.686 -7.511 28.203 1.00 0.00 C ATOM 287 CG TRP A 19 80.231 -8.873 27.784 1.00 0.00 C ATOM 288 CD1 TRP A 19 79.479 -9.708 28.539 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.482 -9.572 26.530 1.00 0.00 C ATOM 290 NE1 TRP A 19 79.261 -10.877 27.831 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.858 -10.840 26.588 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.187 -9.235 25.361 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.929 -11.742 25.525 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.261 -10.138 24.288 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.634 -11.390 24.370 1.00 0.00 C ATOM 0 H TRP A 19 78.214 -7.571 28.617 1.00 0.00 H new ATOM 0 HA TRP A 19 80.075 -5.460 27.957 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.701 -7.332 27.849 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.712 -7.446 29.291 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.110 -9.496 29.532 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.725 -11.669 28.185 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.675 -8.274 25.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.443 -12.704 25.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.804 -9.867 23.395 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.696 -12.081 23.542 1.00 0.00 H new ATOM 306 N ARG A 20 78.790 -7.179 25.523 1.00 0.00 N ATOM 307 CA ARG A 20 78.744 -7.286 24.037 1.00 0.00 C ATOM 308 C ARG A 20 78.618 -5.896 23.409 1.00 0.00 C ATOM 309 O ARG A 20 79.251 -5.593 22.419 1.00 0.00 O ATOM 310 CB ARG A 20 77.531 -8.122 23.632 1.00 0.00 C ATOM 311 CG ARG A 20 77.762 -9.579 24.027 1.00 0.00 C ATOM 312 CD ARG A 20 76.549 -10.419 23.623 1.00 0.00 C ATOM 313 NE ARG A 20 76.767 -11.829 24.052 1.00 0.00 N ATOM 314 CZ ARG A 20 75.774 -12.675 24.049 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.595 -12.296 23.638 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.960 -13.902 24.455 1.00 0.00 N ATOM 0 H ARG A 20 78.036 -7.659 26.015 1.00 0.00 H new ATOM 0 HA ARG A 20 79.663 -7.757 23.687 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.634 -7.740 24.119 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.367 -8.047 22.557 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.660 -9.960 23.540 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.927 -9.653 25.102 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.645 -10.021 24.085 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.402 -10.373 22.544 1.00 0.00 H new ATOM 0 HE ARG A 20 77.694 -12.133 24.349 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.450 -11.338 23.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.819 -12.958 23.636 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.882 -14.199 24.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.183 -14.563 24.453 1.00 0.00 H new ATOM 330 N ALA A 21 77.803 -5.050 23.976 1.00 0.00 N ATOM 331 CA ALA A 21 77.633 -3.683 23.407 1.00 0.00 C ATOM 332 C ALA A 21 78.942 -2.909 23.549 1.00 0.00 C ATOM 333 O ALA A 21 79.347 -2.188 22.657 1.00 0.00 O ATOM 334 CB ALA A 21 76.514 -2.957 24.161 1.00 0.00 C ATOM 0 H ALA A 21 77.247 -5.246 24.809 1.00 0.00 H new ATOM 0 HA ALA A 21 77.370 -3.752 22.351 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.386 -1.956 23.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.583 -3.514 24.056 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.775 -2.883 25.217 1.00 0.00 H new ATOM 340 N MET A 22 79.611 -3.055 24.658 1.00 0.00 N ATOM 341 CA MET A 22 80.899 -2.332 24.849 1.00 0.00 C ATOM 342 C MET A 22 81.894 -2.778 23.773 1.00 0.00 C ATOM 343 O MET A 22 82.588 -1.976 23.183 1.00 0.00 O ATOM 344 CB MET A 22 81.471 -2.670 26.231 1.00 0.00 C ATOM 345 CG MET A 22 82.645 -1.740 26.550 1.00 0.00 C ATOM 346 SD MET A 22 83.646 -2.468 27.869 1.00 0.00 S ATOM 347 CE MET A 22 82.325 -2.650 29.092 1.00 0.00 C ATOM 0 H MET A 22 79.322 -3.643 25.440 1.00 0.00 H new ATOM 0 HA MET A 22 80.729 -1.258 24.773 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.696 -2.566 26.990 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.802 -3.708 26.253 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.254 -1.586 25.659 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.275 -0.762 26.857 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.761 -2.744 30.087 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.677 -1.774 29.061 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.740 -3.542 28.866 1.00 0.00 H new ATOM 357 N ALA A 23 81.973 -4.058 23.522 1.00 0.00 N ATOM 358 CA ALA A 23 82.929 -4.563 22.496 1.00 0.00 C ATOM 359 C ALA A 23 82.613 -3.940 21.131 1.00 0.00 C ATOM 360 O ALA A 23 83.499 -3.578 20.385 1.00 0.00 O ATOM 361 CB ALA A 23 82.810 -6.087 22.406 1.00 0.00 C ATOM 0 H ALA A 23 81.415 -4.776 23.985 1.00 0.00 H new ATOM 0 HA ALA A 23 83.944 -4.288 22.782 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.507 -6.463 21.657 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.046 -6.528 23.374 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.793 -6.356 22.122 1.00 0.00 H new ATOM 367 N SER A 24 81.357 -3.819 20.798 1.00 0.00 N ATOM 368 CA SER A 24 80.986 -3.230 19.478 1.00 0.00 C ATOM 369 C SER A 24 81.362 -1.746 19.432 1.00 0.00 C ATOM 370 O SER A 24 81.814 -1.247 18.420 1.00 0.00 O ATOM 371 CB SER A 24 79.480 -3.382 19.257 1.00 0.00 C ATOM 372 OG SER A 24 79.138 -2.851 17.985 1.00 0.00 O ATOM 0 H SER A 24 80.571 -4.102 21.383 1.00 0.00 H new ATOM 0 HA SER A 24 81.529 -3.756 18.692 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.196 -4.433 19.314 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.931 -2.861 20.041 1.00 0.00 H new ATOM 0 HG SER A 24 78.174 -2.948 17.839 1.00 0.00 H new ATOM 378 N ASP A 25 81.165 -1.032 20.507 1.00 0.00 N ATOM 379 CA ASP A 25 81.503 0.423 20.506 1.00 0.00 C ATOM 380 C ASP A 25 83.018 0.625 20.453 1.00 0.00 C ATOM 381 O ASP A 25 83.506 1.496 19.762 1.00 0.00 O ATOM 382 CB ASP A 25 80.957 1.078 21.775 1.00 0.00 C ATOM 383 CG ASP A 25 79.432 1.160 21.703 1.00 0.00 C ATOM 384 OD1 ASP A 25 78.899 1.012 20.615 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.824 1.374 22.739 1.00 0.00 O ATOM 0 H ASP A 25 80.786 -1.390 21.384 1.00 0.00 H new ATOM 0 HA ASP A 25 81.052 0.881 19.625 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.258 0.502 22.650 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.379 2.077 21.890 1.00 0.00 H new ATOM 390 N PHE A 26 83.764 -0.166 21.176 1.00 0.00 N ATOM 391 CA PHE A 26 85.253 -0.018 21.173 1.00 0.00 C ATOM 392 C PHE A 26 85.862 -1.044 20.216 1.00 0.00 C ATOM 393 O PHE A 26 87.063 -1.121 20.056 1.00 0.00 O ATOM 394 CB PHE A 26 85.786 -0.235 22.588 1.00 0.00 C ATOM 395 CG PHE A 26 85.363 0.926 23.461 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.126 0.896 24.110 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.210 2.031 23.621 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.731 1.969 24.918 1.00 0.00 C ATOM 399 CE2 PHE A 26 85.815 3.104 24.430 1.00 0.00 C ATOM 400 CZ PHE A 26 84.575 3.072 25.080 1.00 0.00 C ATOM 0 H PHE A 26 83.407 -0.913 21.772 1.00 0.00 H new ATOM 0 HA PHE A 26 85.525 0.984 20.841 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.402 -1.171 22.995 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.873 -0.317 22.572 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.474 0.044 23.988 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.167 2.055 23.121 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.773 1.945 25.417 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.467 3.956 24.553 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.271 3.898 25.706 1.00 0.00 H new ATOM 410 N ASN A 27 85.036 -1.823 19.570 1.00 0.00 N ATOM 411 CA ASN A 27 85.553 -2.838 18.608 1.00 0.00 C ATOM 412 C ASN A 27 86.621 -3.706 19.280 1.00 0.00 C ATOM 413 O ASN A 27 87.681 -3.930 18.734 1.00 0.00 O ATOM 414 CB ASN A 27 86.167 -2.119 17.404 1.00 0.00 C ATOM 415 CG ASN A 27 85.106 -1.251 16.725 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.357 -0.104 16.413 1.00 0.00 O ATOM 417 ND2 ASN A 27 83.924 -1.748 16.485 1.00 0.00 N ATOM 0 H ASN A 27 84.021 -1.799 19.668 1.00 0.00 H new ATOM 0 HA ASN A 27 84.731 -3.476 18.283 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.005 -1.501 17.726 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.562 -2.847 16.696 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.211 -1.174 16.036 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.713 -2.711 16.747 1.00 0.00 H new ATOM 424 N LEU A 28 86.343 -4.199 20.464 1.00 0.00 N ATOM 425 CA LEU A 28 87.330 -5.062 21.196 1.00 0.00 C ATOM 426 C LEU A 28 86.760 -6.481 21.328 1.00 0.00 C ATOM 427 O LEU A 28 85.563 -6.669 21.332 1.00 0.00 O ATOM 428 CB LEU A 28 87.545 -4.486 22.605 1.00 0.00 C ATOM 429 CG LEU A 28 88.521 -3.298 22.557 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.341 -2.438 23.814 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.973 -3.797 22.503 1.00 0.00 C ATOM 0 H LEU A 28 85.466 -4.040 20.961 1.00 0.00 H new ATOM 0 HA LEU A 28 88.273 -5.088 20.650 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.591 -4.164 23.022 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.937 -5.260 23.265 1.00 0.00 H new ATOM 0 HG LEU A 28 88.309 -2.711 21.664 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.032 -1.596 23.781 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.317 -2.066 23.857 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.545 -3.040 24.699 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.650 -2.943 22.469 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.186 -4.394 23.390 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.115 -4.408 21.611 1.00 0.00 H new ATOM 443 N PRO A 29 87.605 -7.476 21.454 1.00 0.00 N ATOM 444 CA PRO A 29 87.150 -8.886 21.613 1.00 0.00 C ATOM 445 C PRO A 29 86.550 -9.126 23.010 1.00 0.00 C ATOM 446 O PRO A 29 86.799 -8.374 23.930 1.00 0.00 O ATOM 447 CB PRO A 29 88.431 -9.706 21.412 1.00 0.00 C ATOM 448 CG PRO A 29 89.535 -8.792 21.829 1.00 0.00 C ATOM 449 CD PRO A 29 89.077 -7.377 21.454 1.00 0.00 C ATOM 0 HA PRO A 29 86.362 -9.155 20.910 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.419 -10.614 22.015 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.544 -10.016 20.373 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.723 -8.870 22.900 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.466 -9.048 21.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.429 -6.638 22.174 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.459 -7.078 20.478 1.00 0.00 H new ATOM 457 N PRO A 30 85.763 -10.159 23.165 1.00 0.00 N ATOM 458 CA PRO A 30 85.115 -10.488 24.472 1.00 0.00 C ATOM 459 C PRO A 30 86.130 -10.563 25.626 1.00 0.00 C ATOM 460 O PRO A 30 85.788 -10.391 26.779 1.00 0.00 O ATOM 461 CB PRO A 30 84.442 -11.860 24.224 1.00 0.00 C ATOM 462 CG PRO A 30 85.020 -12.368 22.933 1.00 0.00 C ATOM 463 CD PRO A 30 85.402 -11.131 22.126 1.00 0.00 C ATOM 0 HA PRO A 30 84.406 -9.718 24.778 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.646 -12.550 25.043 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.359 -11.758 24.155 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.890 -12.998 23.117 1.00 0.00 H new ATOM 0 HG3 PRO A 30 84.294 -12.977 22.394 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.235 -11.330 21.452 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.573 -10.777 21.513 1.00 0.00 H new ATOM 471 N VAL A 31 87.367 -10.836 25.325 1.00 0.00 N ATOM 472 CA VAL A 31 88.398 -10.937 26.399 1.00 0.00 C ATOM 473 C VAL A 31 88.504 -9.612 27.167 1.00 0.00 C ATOM 474 O VAL A 31 88.488 -9.587 28.383 1.00 0.00 O ATOM 475 CB VAL A 31 89.752 -11.256 25.749 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.880 -11.139 26.782 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.718 -12.680 25.188 1.00 0.00 C ATOM 0 H VAL A 31 87.712 -10.995 24.378 1.00 0.00 H new ATOM 0 HA VAL A 31 88.115 -11.724 27.098 1.00 0.00 H new ATOM 0 HB VAL A 31 89.938 -10.544 24.945 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.834 -11.368 26.307 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.907 -10.124 27.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.702 -11.842 27.596 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.677 -12.912 24.725 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.525 -13.385 25.997 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.927 -12.758 24.442 1.00 0.00 H new ATOM 487 N VAL A 32 88.641 -8.517 26.469 1.00 0.00 N ATOM 488 CA VAL A 32 88.781 -7.201 27.159 1.00 0.00 C ATOM 489 C VAL A 32 87.439 -6.730 27.727 1.00 0.00 C ATOM 490 O VAL A 32 87.368 -6.237 28.835 1.00 0.00 O ATOM 491 CB VAL A 32 89.315 -6.165 26.169 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.371 -4.795 26.847 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.721 -6.570 25.725 1.00 0.00 C ATOM 0 H VAL A 32 88.662 -8.476 25.450 1.00 0.00 H new ATOM 0 HA VAL A 32 89.478 -7.317 27.989 1.00 0.00 H new ATOM 0 HB VAL A 32 88.657 -6.114 25.301 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.752 -4.056 26.142 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.370 -4.508 27.170 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.031 -4.844 27.713 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.106 -5.834 25.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.377 -6.617 26.594 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.683 -7.548 25.245 1.00 0.00 H new ATOM 503 N ALA A 33 86.375 -6.858 26.982 1.00 0.00 N ATOM 504 CA ALA A 33 85.061 -6.391 27.504 1.00 0.00 C ATOM 505 C ALA A 33 84.702 -7.171 28.770 1.00 0.00 C ATOM 506 O ALA A 33 84.365 -6.602 29.790 1.00 0.00 O ATOM 507 CB ALA A 33 83.981 -6.605 26.438 1.00 0.00 C ATOM 0 H ALA A 33 86.358 -7.261 26.045 1.00 0.00 H new ATOM 0 HA ALA A 33 85.124 -5.330 27.745 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.019 -6.263 26.821 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.237 -6.039 25.542 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.917 -7.665 26.192 1.00 0.00 H new ATOM 513 N LYS A 34 84.781 -8.466 28.712 1.00 0.00 N ATOM 514 CA LYS A 34 84.450 -9.282 29.912 1.00 0.00 C ATOM 515 C LYS A 34 85.394 -8.901 31.053 1.00 0.00 C ATOM 516 O LYS A 34 84.998 -8.820 32.198 1.00 0.00 O ATOM 517 CB LYS A 34 84.617 -10.764 29.579 1.00 0.00 C ATOM 518 CG LYS A 34 83.514 -11.200 28.613 1.00 0.00 C ATOM 519 CD LYS A 34 83.688 -12.683 28.285 1.00 0.00 C ATOM 520 CE LYS A 34 82.589 -13.130 27.319 1.00 0.00 C ATOM 521 NZ LYS A 34 82.724 -14.589 27.052 1.00 0.00 N ATOM 0 H LYS A 34 85.060 -8.997 27.887 1.00 0.00 H new ATOM 0 HA LYS A 34 83.419 -9.095 30.214 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.596 -10.939 29.132 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.572 -11.359 30.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.535 -11.027 29.059 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.558 -10.606 27.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.668 -12.854 27.840 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.645 -13.275 29.199 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.608 -12.917 27.744 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.661 -12.571 26.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.977 -14.892 26.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.655 -14.780 26.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.635 -15.115 27.945 1.00 0.00 H new ATOM 535 N GLU A 35 86.644 -8.683 30.745 1.00 0.00 N ATOM 536 CA GLU A 35 87.629 -8.321 31.804 1.00 0.00 C ATOM 537 C GLU A 35 87.229 -6.998 32.462 1.00 0.00 C ATOM 538 O GLU A 35 87.346 -6.837 33.660 1.00 0.00 O ATOM 539 CB GLU A 35 89.024 -8.181 31.183 1.00 0.00 C ATOM 540 CG GLU A 35 90.085 -8.094 32.289 1.00 0.00 C ATOM 541 CD GLU A 35 90.041 -6.716 32.953 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.559 -5.789 32.323 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.499 -6.610 34.080 1.00 0.00 O ATOM 0 H GLU A 35 87.027 -8.740 29.801 1.00 0.00 H new ATOM 0 HA GLU A 35 87.642 -9.107 32.559 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.230 -9.034 30.536 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.065 -7.289 30.558 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.910 -8.871 33.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.075 -8.272 31.869 1.00 0.00 H new ATOM 550 N ILE A 36 86.765 -6.042 31.699 1.00 0.00 N ATOM 551 CA ILE A 36 86.373 -4.740 32.312 1.00 0.00 C ATOM 552 C ILE A 36 85.265 -5.004 33.330 1.00 0.00 C ATOM 553 O ILE A 36 85.276 -4.481 34.426 1.00 0.00 O ATOM 554 CB ILE A 36 85.879 -3.789 31.219 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.066 -3.372 30.348 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.261 -2.541 31.858 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.558 -2.647 29.098 1.00 0.00 C ATOM 0 H ILE A 36 86.642 -6.106 30.688 1.00 0.00 H new ATOM 0 HA ILE A 36 87.226 -4.279 32.810 1.00 0.00 H new ATOM 0 HB ILE A 36 85.127 -4.293 30.611 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.733 -2.720 30.913 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.645 -4.250 30.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.911 -1.867 31.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.421 -2.833 32.488 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.011 -2.034 32.465 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.405 -2.351 28.479 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.909 -3.313 28.530 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.998 -1.760 29.394 1.00 0.00 H new ATOM 569 N VAL A 37 84.331 -5.850 32.991 1.00 0.00 N ATOM 570 CA VAL A 37 83.247 -6.192 33.950 1.00 0.00 C ATOM 571 C VAL A 37 83.872 -6.914 35.142 1.00 0.00 C ATOM 572 O VAL A 37 83.505 -6.699 36.281 1.00 0.00 O ATOM 573 CB VAL A 37 82.239 -7.111 33.254 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.255 -7.685 34.281 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.470 -6.305 32.202 1.00 0.00 C ATOM 0 H VAL A 37 84.273 -6.320 32.087 1.00 0.00 H new ATOM 0 HA VAL A 37 82.735 -5.292 34.290 1.00 0.00 H new ATOM 0 HB VAL A 37 82.770 -7.934 32.775 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.542 -8.337 33.777 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.803 -8.257 35.030 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.720 -6.869 34.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.750 -6.953 31.702 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.943 -5.483 32.687 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.169 -5.905 31.468 1.00 0.00 H new ATOM 585 N ALA A 38 84.818 -7.774 34.877 1.00 0.00 N ATOM 586 CA ALA A 38 85.491 -8.525 35.975 1.00 0.00 C ATOM 587 C ALA A 38 86.194 -7.548 36.922 1.00 0.00 C ATOM 588 O ALA A 38 86.488 -7.873 38.055 1.00 0.00 O ATOM 589 CB ALA A 38 86.528 -9.482 35.374 1.00 0.00 C ATOM 0 H ALA A 38 85.156 -7.990 33.939 1.00 0.00 H new ATOM 0 HA ALA A 38 84.744 -9.091 36.532 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.022 -10.033 36.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.031 -10.184 34.704 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.270 -8.911 34.815 1.00 0.00 H new ATOM 595 N SER A 39 86.481 -6.359 36.462 1.00 0.00 N ATOM 596 CA SER A 39 87.182 -5.369 37.333 1.00 0.00 C ATOM 597 C SER A 39 86.151 -4.565 38.125 1.00 0.00 C ATOM 598 O SER A 39 86.293 -4.363 39.316 1.00 0.00 O ATOM 599 CB SER A 39 88.009 -4.426 36.457 1.00 0.00 C ATOM 600 OG SER A 39 89.126 -5.131 35.926 1.00 0.00 O ATOM 0 H SER A 39 86.261 -6.030 35.522 1.00 0.00 H new ATOM 0 HA SER A 39 87.839 -5.891 38.028 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.395 -4.032 35.647 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.349 -3.572 37.043 1.00 0.00 H new ATOM 0 HG SER A 39 88.906 -5.468 35.033 1.00 0.00 H new ATOM 606 N CYS A 40 85.112 -4.114 37.485 1.00 0.00 N ATOM 607 CA CYS A 40 84.074 -3.341 38.219 1.00 0.00 C ATOM 608 C CYS A 40 83.516 -4.219 39.348 1.00 0.00 C ATOM 609 O CYS A 40 83.084 -5.332 39.122 1.00 0.00 O ATOM 610 CB CYS A 40 82.953 -2.954 37.253 1.00 0.00 C ATOM 611 SG CYS A 40 82.002 -1.580 37.947 1.00 0.00 S ATOM 0 H CYS A 40 84.936 -4.246 36.489 1.00 0.00 H new ATOM 0 HA CYS A 40 84.506 -2.433 38.641 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.373 -2.669 36.288 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.300 -3.809 37.076 1.00 0.00 H new ATOM 616 N ASP A 41 83.529 -3.736 40.558 1.00 0.00 N ATOM 617 CA ASP A 41 83.005 -4.557 41.688 1.00 0.00 C ATOM 618 C ASP A 41 81.479 -4.538 41.680 1.00 0.00 C ATOM 619 O ASP A 41 80.839 -5.436 42.187 1.00 0.00 O ATOM 620 CB ASP A 41 83.515 -3.985 43.011 1.00 0.00 C ATOM 621 CG ASP A 41 85.017 -4.241 43.130 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.496 -5.155 42.478 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.663 -3.516 43.867 1.00 0.00 O ATOM 0 H ASP A 41 83.878 -2.812 40.815 1.00 0.00 H new ATOM 0 HA ASP A 41 83.351 -5.585 41.575 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.312 -2.915 43.059 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.989 -4.447 43.846 1.00 0.00 H new ATOM 628 N LYS A 42 80.885 -3.526 41.114 1.00 0.00 N ATOM 629 CA LYS A 42 79.399 -3.470 41.088 1.00 0.00 C ATOM 630 C LYS A 42 78.860 -4.504 40.091 1.00 0.00 C ATOM 631 O LYS A 42 77.873 -5.165 40.343 1.00 0.00 O ATOM 632 CB LYS A 42 78.953 -2.061 40.686 1.00 0.00 C ATOM 633 CG LYS A 42 79.349 -1.077 41.795 1.00 0.00 C ATOM 634 CD LYS A 42 78.917 0.341 41.418 1.00 0.00 C ATOM 635 CE LYS A 42 79.322 1.310 42.533 1.00 0.00 C ATOM 636 NZ LYS A 42 80.809 1.426 42.576 1.00 0.00 N ATOM 0 H LYS A 42 81.361 -2.740 40.671 1.00 0.00 H new ATOM 0 HA LYS A 42 79.005 -3.700 42.078 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.418 -1.773 39.743 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.875 -2.038 40.529 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.882 -1.370 42.735 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.427 -1.108 41.951 1.00 0.00 H new ATOM 0 HD2 LYS A 42 79.382 0.637 40.478 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.838 0.376 41.265 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.875 2.289 42.359 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.946 0.954 43.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 81.075 2.284 43.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 81.209 0.592 43.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 81.181 1.484 41.606 1.00 0.00 H new ATOM 650 N CYS A 43 79.502 -4.654 38.962 1.00 0.00 N ATOM 651 CA CYS A 43 79.027 -5.654 37.957 1.00 0.00 C ATOM 652 C CYS A 43 79.642 -7.024 38.260 1.00 0.00 C ATOM 653 O CYS A 43 79.416 -7.985 37.551 1.00 0.00 O ATOM 654 CB CYS A 43 79.423 -5.209 36.549 1.00 0.00 C ATOM 655 SG CYS A 43 78.673 -3.599 36.198 1.00 0.00 S ATOM 0 H CYS A 43 80.334 -4.129 38.692 1.00 0.00 H new ATOM 0 HA CYS A 43 77.941 -5.727 38.014 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.508 -5.143 36.468 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.092 -5.945 35.816 1.00 0.00 H new ATOM 660 N GLN A 44 80.418 -7.124 39.305 1.00 0.00 N ATOM 661 CA GLN A 44 81.043 -8.434 39.646 1.00 0.00 C ATOM 662 C GLN A 44 79.991 -9.321 40.313 1.00 0.00 C ATOM 663 O GLN A 44 79.524 -10.290 39.746 1.00 0.00 O ATOM 664 CB GLN A 44 82.205 -8.193 40.621 1.00 0.00 C ATOM 665 CG GLN A 44 82.957 -9.503 40.893 1.00 0.00 C ATOM 666 CD GLN A 44 83.844 -9.849 39.696 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.937 -10.995 39.306 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.510 -8.901 39.098 1.00 0.00 N ATOM 0 H GLN A 44 80.646 -6.356 39.937 1.00 0.00 H new ATOM 0 HA GLN A 44 81.418 -8.921 38.746 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.889 -7.453 40.205 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.824 -7.784 41.557 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.566 -9.404 41.792 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.247 -10.309 41.076 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.432 -7.938 39.426 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.109 -9.122 38.303 1.00 0.00 H new ATOM 677 N LEU A 45 79.605 -8.987 41.511 1.00 0.00 N ATOM 678 CA LEU A 45 78.573 -9.795 42.222 1.00 0.00 C ATOM 679 C LEU A 45 77.186 -9.274 41.849 1.00 0.00 C ATOM 680 O LEU A 45 76.993 -8.092 41.655 1.00 0.00 O ATOM 681 CB LEU A 45 78.772 -9.660 43.732 1.00 0.00 C ATOM 682 CG LEU A 45 80.228 -9.960 44.093 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.405 -9.833 45.608 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.594 -11.384 43.650 1.00 0.00 C ATOM 0 H LEU A 45 79.961 -8.186 42.032 1.00 0.00 H new ATOM 0 HA LEU A 45 78.665 -10.842 41.934 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.508 -8.653 44.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.109 -10.347 44.258 1.00 0.00 H new ATOM 0 HG LEU A 45 80.881 -9.251 43.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.441 -10.046 45.872 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.151 -8.820 45.920 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.749 -10.543 46.112 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.632 -11.591 43.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.944 -12.100 44.153 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.466 -11.474 42.571 1.00 0.00 H new ATOM 696 N LYS A 46 76.217 -10.140 41.753 1.00 0.00 N ATOM 697 CA LYS A 46 74.848 -9.675 41.399 1.00 0.00 C ATOM 698 C LYS A 46 74.189 -9.094 42.651 1.00 0.00 C ATOM 699 O LYS A 46 74.166 -9.716 43.695 1.00 0.00 O ATOM 700 CB LYS A 46 74.024 -10.865 40.896 1.00 0.00 C ATOM 701 CG LYS A 46 74.688 -11.491 39.663 1.00 0.00 C ATOM 702 CD LYS A 46 74.473 -10.612 38.423 1.00 0.00 C ATOM 703 CE LYS A 46 74.874 -11.399 37.174 1.00 0.00 C ATOM 704 NZ LYS A 46 74.949 -10.474 36.008 1.00 0.00 N ATOM 0 H LYS A 46 76.313 -11.144 41.903 1.00 0.00 H new ATOM 0 HA LYS A 46 74.900 -8.915 40.619 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.931 -11.611 41.685 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.015 -10.537 40.647 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.755 -11.618 39.844 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.275 -12.484 39.487 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.429 -10.306 38.355 1.00 0.00 H new ATOM 0 HD3 LYS A 46 75.067 -9.701 38.500 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.838 -11.884 37.330 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.148 -12.188 36.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.222 -11.008 35.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.020 -10.031 35.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 75.658 -9.736 36.195 1.00 0.00 H new ATOM 718 N GLY A 47 73.657 -7.906 42.558 1.00 0.00 N ATOM 719 CA GLY A 47 73.005 -7.285 43.747 1.00 0.00 C ATOM 720 C GLY A 47 73.929 -7.400 44.964 1.00 0.00 C ATOM 721 O GLY A 47 75.137 -7.450 44.837 1.00 0.00 O ATOM 0 H GLY A 47 73.645 -7.338 41.711 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.782 -6.237 43.545 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.055 -7.779 43.952 1.00 0.00 H new ATOM 725 N GLU A 48 73.369 -7.443 46.145 1.00 0.00 N ATOM 726 CA GLU A 48 74.209 -7.553 47.377 1.00 0.00 C ATOM 727 C GLU A 48 74.487 -9.030 47.676 1.00 0.00 C ATOM 728 O GLU A 48 74.832 -9.390 48.784 1.00 0.00 O ATOM 729 CB GLU A 48 73.468 -6.921 48.557 1.00 0.00 C ATOM 730 CG GLU A 48 73.413 -5.403 48.372 1.00 0.00 C ATOM 731 CD GLU A 48 72.615 -4.775 49.518 1.00 0.00 C ATOM 732 OE1 GLU A 48 72.045 -5.521 50.299 1.00 0.00 O ATOM 733 OE2 GLU A 48 72.589 -3.556 49.595 1.00 0.00 O ATOM 0 H GLU A 48 72.363 -7.407 46.311 1.00 0.00 H new ATOM 0 HA GLU A 48 75.154 -7.032 47.221 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.458 -7.326 48.625 1.00 0.00 H new ATOM 0 HB3 GLU A 48 73.974 -7.166 49.491 1.00 0.00 H new ATOM 0 HG2 GLU A 48 74.422 -4.992 48.350 1.00 0.00 H new ATOM 0 HG3 GLU A 48 72.949 -5.159 47.416 1.00 0.00 H new ATOM 740 N ALA A 49 74.328 -9.883 46.689 1.00 0.00 N ATOM 741 CA ALA A 49 74.574 -11.349 46.878 1.00 0.00 C ATOM 742 C ALA A 49 73.314 -12.012 47.448 1.00 0.00 C ATOM 743 O ALA A 49 72.205 -11.608 47.161 1.00 0.00 O ATOM 744 CB ALA A 49 75.773 -11.579 47.822 1.00 0.00 C ATOM 0 H ALA A 49 74.034 -9.621 45.748 1.00 0.00 H new ATOM 0 HA ALA A 49 74.809 -11.796 45.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.937 -12.649 47.948 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.666 -11.123 47.394 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.564 -11.128 48.792 1.00 0.00 H new ATOM 750 N MET A 50 73.480 -13.023 48.257 1.00 0.00 N ATOM 751 CA MET A 50 72.293 -13.707 48.843 1.00 0.00 C ATOM 752 C MET A 50 71.722 -12.851 49.972 1.00 0.00 C ATOM 753 O MET A 50 72.423 -12.450 50.879 1.00 0.00 O ATOM 754 CB MET A 50 72.704 -15.073 49.397 1.00 0.00 C ATOM 755 CG MET A 50 73.263 -15.937 48.267 1.00 0.00 C ATOM 756 SD MET A 50 71.941 -16.313 47.086 1.00 0.00 S ATOM 757 CE MET A 50 72.953 -16.273 45.584 1.00 0.00 C ATOM 0 H MET A 50 74.384 -13.404 48.537 1.00 0.00 H new ATOM 0 HA MET A 50 71.538 -13.846 48.070 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.454 -14.949 50.179 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.845 -15.565 49.854 1.00 0.00 H new ATOM 0 HG2 MET A 50 74.077 -15.415 47.764 1.00 0.00 H new ATOM 0 HG3 MET A 50 73.678 -16.860 48.671 1.00 0.00 H new ATOM 0 HE1 MET A 50 72.326 -16.483 44.717 1.00 0.00 H new ATOM 0 HE2 MET A 50 73.404 -15.287 45.475 1.00 0.00 H new ATOM 0 HE3 MET A 50 73.739 -17.025 45.654 1.00 0.00 H new ATOM 767 N HIS A 51 70.447 -12.571 49.922 1.00 0.00 N ATOM 768 CA HIS A 51 69.813 -11.743 50.990 1.00 0.00 C ATOM 769 C HIS A 51 69.304 -12.653 52.111 1.00 0.00 C ATOM 770 O HIS A 51 68.722 -12.197 53.075 1.00 0.00 O ATOM 771 CB HIS A 51 68.655 -10.940 50.394 1.00 0.00 C ATOM 772 CG HIS A 51 67.744 -11.853 49.622 1.00 0.00 C ATOM 773 ND1 HIS A 51 68.005 -12.220 48.309 1.00 0.00 N ATOM 774 CD2 HIS A 51 66.560 -12.466 49.954 1.00 0.00 C ATOM 775 CE1 HIS A 51 66.998 -13.017 47.904 1.00 0.00 C ATOM 776 NE2 HIS A 51 66.096 -13.195 48.870 1.00 0.00 N ATOM 0 H HIS A 51 69.814 -12.881 49.184 1.00 0.00 H new ATOM 0 HA HIS A 51 70.548 -11.052 51.403 1.00 0.00 H new ATOM 0 HB2 HIS A 51 68.098 -10.443 51.189 1.00 0.00 H new ATOM 0 HB3 HIS A 51 69.041 -10.159 49.739 1.00 0.00 H new ATOM 0 HD2 HIS A 51 66.067 -12.391 50.912 1.00 0.00 H new ATOM 0 HE1 HIS A 51 66.929 -13.457 46.920 1.00 0.00 H new ATOM 0 HE2 HIS A 51 65.243 -13.752 48.821 1.00 0.00 H new ATOM 785 N GLY A 52 69.525 -13.938 51.992 1.00 0.00 N ATOM 786 CA GLY A 52 69.062 -14.895 53.049 1.00 0.00 C ATOM 787 C GLY A 52 68.399 -16.106 52.388 1.00 0.00 C ATOM 788 O GLY A 52 67.736 -16.893 53.034 1.00 0.00 O ATOM 0 H GLY A 52 70.009 -14.370 51.205 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.907 -15.217 53.658 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.357 -14.401 53.718 1.00 0.00 H new ATOM 792 N GLN A 53 68.575 -16.264 51.105 1.00 0.00 N ATOM 793 CA GLN A 53 67.957 -17.424 50.404 1.00 0.00 C ATOM 794 C GLN A 53 68.819 -18.669 50.642 1.00 0.00 C ATOM 795 O GLN A 53 70.027 -18.628 50.529 1.00 0.00 O ATOM 796 CB GLN A 53 67.879 -17.123 48.903 1.00 0.00 C ATOM 797 CG GLN A 53 67.233 -18.300 48.176 1.00 0.00 C ATOM 798 CD GLN A 53 67.051 -17.945 46.698 1.00 0.00 C ATOM 799 OE1 GLN A 53 66.754 -18.884 45.845 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 67.190 -16.800 46.318 1.00 0.00 N flip ATOM 0 H GLN A 53 69.121 -15.639 50.512 1.00 0.00 H new ATOM 0 HA GLN A 53 66.952 -17.601 50.787 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.299 -16.216 48.734 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.878 -16.942 48.506 1.00 0.00 H new ATOM 0 HG2 GLN A 53 67.856 -19.189 48.274 1.00 0.00 H new ATOM 0 HG3 GLN A 53 66.269 -18.535 48.627 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.422 -16.065 46.986 1.00 0.00 H new ATOM 0 HE22 GLN A 53 67.074 -16.573 45.330 1.00 0.00 H new ATOM 809 N VAL A 54 68.207 -19.775 50.983 1.00 0.00 N ATOM 810 CA VAL A 54 68.986 -21.028 51.241 1.00 0.00 C ATOM 811 C VAL A 54 68.988 -21.901 49.988 1.00 0.00 C ATOM 812 O VAL A 54 69.714 -22.872 49.897 1.00 0.00 O ATOM 813 CB VAL A 54 68.322 -21.806 52.379 1.00 0.00 C ATOM 814 CG1 VAL A 54 69.154 -23.050 52.707 1.00 0.00 C ATOM 815 CG2 VAL A 54 68.219 -20.916 53.620 1.00 0.00 C ATOM 0 H VAL A 54 67.197 -19.866 51.095 1.00 0.00 H new ATOM 0 HA VAL A 54 70.010 -20.766 51.509 1.00 0.00 H new ATOM 0 HB VAL A 54 67.322 -22.111 52.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.679 -23.602 53.518 1.00 0.00 H new ATOM 0 HG12 VAL A 54 69.220 -23.686 51.825 1.00 0.00 H new ATOM 0 HG13 VAL A 54 70.156 -22.748 53.012 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.746 -21.473 54.429 1.00 0.00 H new ATOM 0 HG22 VAL A 54 69.217 -20.605 53.929 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.621 -20.035 53.387 1.00 0.00 H new ATOM 825 N ASP A 55 68.177 -21.575 49.019 1.00 0.00 N ATOM 826 CA ASP A 55 68.127 -22.402 47.779 1.00 0.00 C ATOM 827 C ASP A 55 67.801 -21.506 46.578 1.00 0.00 C ATOM 828 O ASP A 55 66.704 -21.617 46.059 1.00 0.00 O ATOM 829 CB ASP A 55 67.041 -23.467 47.939 1.00 0.00 C ATOM 830 CG ASP A 55 65.689 -22.785 48.160 1.00 0.00 C ATOM 831 OD1 ASP A 55 65.689 -21.613 48.500 1.00 0.00 O ATOM 832 OD2 ASP A 55 64.678 -23.446 47.984 1.00 0.00 O ATOM 833 OXT ASP A 55 68.659 -20.723 46.200 1.00 0.00 O ATOM 0 H ASP A 55 67.547 -20.773 49.032 1.00 0.00 H new ATOM 0 HA ASP A 55 69.091 -22.882 47.613 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.002 -24.098 47.051 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.275 -24.117 48.782 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.031 -11.431 22.509 1.00 0.00 N ATOM 840 CA PHE B 1 95.107 -12.565 22.805 1.00 0.00 C ATOM 841 C PHE B 1 95.676 -13.845 22.198 1.00 0.00 C ATOM 842 O PHE B 1 95.674 -14.031 20.996 1.00 0.00 O ATOM 843 CB PHE B 1 93.731 -12.267 22.205 1.00 0.00 C ATOM 844 CG PHE B 1 93.386 -10.813 22.453 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.140 -10.367 23.756 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.326 -9.909 21.385 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.831 -9.020 23.993 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.019 -8.561 21.622 1.00 0.00 C ATOM 849 CZ PHE B 1 92.770 -8.118 22.926 1.00 0.00 C ATOM 0 H1 PHE B 1 95.478 -10.564 22.356 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.678 -11.292 23.311 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.582 -11.646 21.653 1.00 0.00 H new ATOM 0 HA PHE B 1 95.006 -12.692 23.883 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.734 -12.475 21.135 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.977 -12.914 22.653 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.188 -11.062 24.581 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.516 -10.250 20.378 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.640 -8.679 25.000 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.975 -7.865 20.798 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.531 -7.081 23.108 1.00 0.00 H new ATOM 861 N LEU B 2 96.186 -14.725 23.021 1.00 0.00 N ATOM 862 CA LEU B 2 96.782 -15.994 22.500 1.00 0.00 C ATOM 863 C LEU B 2 95.793 -17.145 22.621 1.00 0.00 C ATOM 864 O LEU B 2 95.099 -17.287 23.601 1.00 0.00 O ATOM 865 CB LEU B 2 98.041 -16.337 23.298 1.00 0.00 C ATOM 866 CG LEU B 2 99.054 -15.193 23.210 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.292 -15.560 24.035 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.459 -14.954 21.742 1.00 0.00 C ATOM 0 H LEU B 2 96.216 -14.620 24.035 1.00 0.00 H new ATOM 0 HA LEU B 2 97.031 -15.848 21.449 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.780 -16.521 24.340 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.485 -17.255 22.913 1.00 0.00 H new ATOM 0 HG LEU B 2 98.605 -14.280 23.601 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.020 -14.751 23.978 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.003 -15.716 25.074 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.735 -16.474 23.640 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.180 -14.138 21.692 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.908 -15.861 21.336 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.576 -14.694 21.159 1.00 0.00 H new ATOM 880 N ASP B 3 95.750 -17.982 21.624 1.00 0.00 N ATOM 881 CA ASP B 3 94.831 -19.151 21.669 1.00 0.00 C ATOM 882 C ASP B 3 95.214 -20.021 22.860 1.00 0.00 C ATOM 883 O ASP B 3 94.378 -20.540 23.570 1.00 0.00 O ATOM 884 CB ASP B 3 94.991 -19.961 20.385 1.00 0.00 C ATOM 885 CG ASP B 3 96.453 -20.369 20.216 1.00 0.00 C ATOM 886 OD1 ASP B 3 97.303 -19.708 20.788 1.00 0.00 O ATOM 887 OD2 ASP B 3 96.697 -21.341 19.518 1.00 0.00 O ATOM 0 H ASP B 3 96.314 -17.906 20.777 1.00 0.00 H new ATOM 0 HA ASP B 3 93.798 -18.816 21.764 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.357 -20.847 20.421 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.666 -19.371 19.528 1.00 0.00 H new ATOM 892 N GLY B 4 96.485 -20.166 23.084 1.00 0.00 N ATOM 893 CA GLY B 4 96.963 -20.988 24.234 1.00 0.00 C ATOM 894 C GLY B 4 96.220 -20.567 25.503 1.00 0.00 C ATOM 895 O GLY B 4 96.289 -21.225 26.522 1.00 0.00 O ATOM 0 H GLY B 4 97.223 -19.748 22.517 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.794 -22.046 24.034 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.037 -20.857 24.368 1.00 0.00 H new ATOM 899 N ILE B 5 95.502 -19.479 25.445 1.00 0.00 N ATOM 900 CA ILE B 5 94.741 -19.013 26.637 1.00 0.00 C ATOM 901 C ILE B 5 93.743 -20.104 27.043 1.00 0.00 C ATOM 902 O ILE B 5 93.446 -20.286 28.208 1.00 0.00 O ATOM 903 CB ILE B 5 94.016 -17.699 26.291 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.021 -16.541 26.336 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.881 -17.432 27.293 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.394 -15.289 25.722 1.00 0.00 C ATOM 0 H ILE B 5 95.410 -18.890 24.618 1.00 0.00 H new ATOM 0 HA ILE B 5 95.413 -18.824 27.474 1.00 0.00 H new ATOM 0 HB ILE B 5 93.588 -17.782 25.292 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.316 -16.343 27.366 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.926 -16.811 25.791 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.379 -16.500 27.034 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.164 -18.252 27.258 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.294 -17.354 28.299 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.111 -14.469 25.756 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.121 -15.490 24.686 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.502 -15.015 26.286 1.00 0.00 H new ATOM 918 N ASP B 6 93.245 -20.847 26.093 1.00 0.00 N ATOM 919 CA ASP B 6 92.291 -21.940 26.430 1.00 0.00 C ATOM 920 C ASP B 6 93.005 -22.923 27.358 1.00 0.00 C ATOM 921 O ASP B 6 92.434 -23.429 28.304 1.00 0.00 O ATOM 922 CB ASP B 6 91.864 -22.663 25.151 1.00 0.00 C ATOM 923 CG ASP B 6 90.887 -23.789 25.503 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.721 -24.058 26.681 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.324 -24.369 24.589 1.00 0.00 O ATOM 0 H ASP B 6 93.457 -20.745 25.101 1.00 0.00 H new ATOM 0 HA ASP B 6 91.405 -21.532 26.917 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.393 -21.960 24.463 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.737 -23.071 24.642 1.00 0.00 H new ATOM 930 N LYS B 7 94.251 -23.190 27.094 1.00 0.00 N ATOM 931 CA LYS B 7 95.017 -24.131 27.959 1.00 0.00 C ATOM 932 C LYS B 7 95.142 -23.534 29.363 1.00 0.00 C ATOM 933 O LYS B 7 95.051 -24.229 30.357 1.00 0.00 O ATOM 934 CB LYS B 7 96.412 -24.354 27.372 1.00 0.00 C ATOM 935 CG LYS B 7 97.152 -25.386 28.224 1.00 0.00 C ATOM 936 CD LYS B 7 98.448 -25.812 27.522 1.00 0.00 C ATOM 937 CE LYS B 7 99.442 -24.645 27.477 1.00 0.00 C ATOM 938 NZ LYS B 7 99.101 -23.740 26.341 1.00 0.00 N ATOM 0 H LYS B 7 94.776 -22.796 26.313 1.00 0.00 H new ATOM 0 HA LYS B 7 94.494 -25.086 28.010 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.336 -24.702 26.342 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.966 -23.416 27.352 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.380 -24.965 29.203 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.516 -26.255 28.391 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.893 -26.657 28.048 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.226 -26.148 26.509 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.413 -24.093 28.416 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.458 -25.024 27.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.954 -23.556 25.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.380 -24.191 25.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.731 -22.842 26.712 1.00 0.00 H new ATOM 952 N ALA B 8 95.358 -22.251 29.452 1.00 0.00 N ATOM 953 CA ALA B 8 95.500 -21.606 30.790 1.00 0.00 C ATOM 954 C ALA B 8 94.234 -21.854 31.616 1.00 0.00 C ATOM 955 O ALA B 8 94.290 -21.988 32.822 1.00 0.00 O ATOM 956 CB ALA B 8 95.715 -20.101 30.610 1.00 0.00 C ATOM 0 H ALA B 8 95.443 -21.619 28.656 1.00 0.00 H new ATOM 0 HA ALA B 8 96.357 -22.033 31.311 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.819 -19.629 31.587 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.620 -19.930 30.026 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.860 -19.671 30.088 1.00 0.00 H new ATOM 962 N GLN B 9 93.092 -21.920 30.981 1.00 0.00 N ATOM 963 CA GLN B 9 91.836 -22.170 31.747 1.00 0.00 C ATOM 964 C GLN B 9 91.951 -23.515 32.471 1.00 0.00 C ATOM 965 O GLN B 9 91.540 -23.665 33.605 1.00 0.00 O ATOM 966 CB GLN B 9 90.647 -22.234 30.778 1.00 0.00 C ATOM 967 CG GLN B 9 90.367 -20.849 30.193 1.00 0.00 C ATOM 968 CD GLN B 9 89.351 -20.979 29.056 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.226 -22.027 28.454 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.605 -19.955 28.739 1.00 0.00 N ATOM 0 H GLN B 9 92.976 -21.812 29.973 1.00 0.00 H new ATOM 0 HA GLN B 9 91.684 -21.365 32.466 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.861 -22.940 29.975 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.763 -22.602 31.299 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.982 -20.185 30.967 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.290 -20.404 29.822 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.708 -19.074 29.243 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.920 -20.036 27.988 1.00 0.00 H new ATOM 979 N GLU B 10 92.516 -24.493 31.814 1.00 0.00 N ATOM 980 CA GLU B 10 92.673 -25.837 32.438 1.00 0.00 C ATOM 981 C GLU B 10 93.537 -25.740 33.696 1.00 0.00 C ATOM 982 O GLU B 10 93.292 -26.407 34.682 1.00 0.00 O ATOM 983 CB GLU B 10 93.325 -26.792 31.439 1.00 0.00 C ATOM 984 CG GLU B 10 92.337 -27.110 30.316 1.00 0.00 C ATOM 985 CD GLU B 10 93.013 -28.013 29.282 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.604 -27.481 28.356 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.930 -29.221 29.435 1.00 0.00 O ATOM 0 H GLU B 10 92.878 -24.416 30.864 1.00 0.00 H new ATOM 0 HA GLU B 10 91.689 -26.215 32.715 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.228 -26.342 31.026 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.628 -27.710 31.942 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.454 -27.603 30.723 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.998 -26.188 29.843 1.00 0.00 H new ATOM 994 N GLU B 11 94.563 -24.934 33.664 1.00 0.00 N ATOM 995 CA GLU B 11 95.462 -24.814 34.852 1.00 0.00 C ATOM 996 C GLU B 11 94.956 -23.709 35.780 1.00 0.00 C ATOM 997 O GLU B 11 95.543 -23.435 36.806 1.00 0.00 O ATOM 998 CB GLU B 11 96.873 -24.470 34.377 1.00 0.00 C ATOM 999 CG GLU B 11 97.450 -25.658 33.605 1.00 0.00 C ATOM 1000 CD GLU B 11 98.859 -25.316 33.122 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.237 -24.160 33.233 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.534 -26.212 32.647 1.00 0.00 O ATOM 0 H GLU B 11 94.820 -24.352 32.867 1.00 0.00 H new ATOM 0 HA GLU B 11 95.472 -25.759 35.395 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.849 -23.585 33.741 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.509 -24.233 35.230 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.477 -26.541 34.243 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.811 -25.898 32.755 1.00 0.00 H new ATOM 1009 N CYS B 12 93.870 -23.074 35.434 1.00 0.00 N ATOM 1010 CA CYS B 12 93.331 -21.996 36.306 1.00 0.00 C ATOM 1011 C CYS B 12 93.227 -22.513 37.743 1.00 0.00 C ATOM 1012 O CYS B 12 93.645 -21.863 38.680 1.00 0.00 O ATOM 1013 CB CYS B 12 91.943 -21.588 35.809 1.00 0.00 C ATOM 1014 SG CYS B 12 91.293 -20.266 36.859 1.00 0.00 S ATOM 0 H CYS B 12 93.334 -23.256 34.586 1.00 0.00 H new ATOM 0 HA CYS B 12 93.996 -21.133 36.276 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.000 -21.251 34.774 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.271 -22.446 35.828 1.00 0.00 H new ATOM 1019 N GLU B 13 92.676 -23.683 37.922 1.00 0.00 N ATOM 1020 CA GLU B 13 92.548 -24.246 39.292 1.00 0.00 C ATOM 1021 C GLU B 13 93.941 -24.399 39.904 1.00 0.00 C ATOM 1022 O GLU B 13 94.149 -24.148 41.074 1.00 0.00 O ATOM 1023 CB GLU B 13 91.851 -25.609 39.230 1.00 0.00 C ATOM 1024 CG GLU B 13 90.381 -25.412 38.849 1.00 0.00 C ATOM 1025 CD GLU B 13 90.286 -25.010 37.377 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.253 -25.221 36.663 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.255 -24.492 36.987 1.00 0.00 O ATOM 0 H GLU B 13 92.309 -24.273 37.175 1.00 0.00 H new ATOM 0 HA GLU B 13 91.952 -23.574 39.910 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.345 -26.249 38.499 1.00 0.00 H new ATOM 0 HB3 GLU B 13 91.924 -26.111 40.195 1.00 0.00 H new ATOM 0 HG2 GLU B 13 89.823 -26.332 39.023 1.00 0.00 H new ATOM 0 HG3 GLU B 13 89.931 -24.643 39.477 1.00 0.00 H new ATOM 1034 N LYS B 14 94.900 -24.810 39.118 1.00 0.00 N ATOM 1035 CA LYS B 14 96.281 -24.977 39.648 1.00 0.00 C ATOM 1036 C LYS B 14 96.793 -23.627 40.147 1.00 0.00 C ATOM 1037 O LYS B 14 97.451 -23.541 41.166 1.00 0.00 O ATOM 1038 CB LYS B 14 97.204 -25.504 38.545 1.00 0.00 C ATOM 1039 CG LYS B 14 98.604 -25.738 39.127 1.00 0.00 C ATOM 1040 CD LYS B 14 99.534 -26.279 38.040 1.00 0.00 C ATOM 1041 CE LYS B 14 100.892 -26.614 38.656 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.770 -27.221 37.618 1.00 0.00 N ATOM 0 H LYS B 14 94.785 -25.037 38.130 1.00 0.00 H new ATOM 0 HA LYS B 14 96.270 -25.692 40.470 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.807 -26.433 38.136 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.254 -24.789 37.724 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.002 -24.806 39.527 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.550 -26.444 39.956 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.100 -27.169 37.584 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.654 -25.540 37.247 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.354 -25.712 39.057 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.765 -27.305 39.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.695 -27.450 38.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.329 -28.091 37.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.900 -26.547 36.836 1.00 0.00 H new ATOM 1056 N TYR B 15 96.498 -22.571 39.439 1.00 0.00 N ATOM 1057 CA TYR B 15 96.969 -21.228 39.875 1.00 0.00 C ATOM 1058 C TYR B 15 95.973 -20.659 40.881 1.00 0.00 C ATOM 1059 O TYR B 15 96.267 -19.727 41.599 1.00 0.00 O ATOM 1060 CB TYR B 15 97.056 -20.300 38.661 1.00 0.00 C ATOM 1061 CG TYR B 15 98.169 -20.769 37.753 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.501 -20.621 38.152 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.870 -21.361 36.518 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.534 -21.060 37.318 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.903 -21.802 35.683 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.237 -21.652 36.083 1.00 0.00 C ATOM 1067 OH TYR B 15 101.257 -22.087 35.261 1.00 0.00 O ATOM 0 H TYR B 15 95.951 -22.581 38.578 1.00 0.00 H new ATOM 0 HA TYR B 15 97.953 -21.311 40.335 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.108 -20.297 38.122 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.242 -19.276 38.984 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.732 -20.168 39.105 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.841 -21.477 36.210 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.562 -20.943 37.626 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.672 -22.257 34.731 1.00 0.00 H new ATOM 0 HH TYR B 15 101.997 -21.445 35.290 1.00 0.00 H new ATOM 1077 N HIS B 16 94.796 -21.223 40.940 1.00 0.00 N ATOM 1078 CA HIS B 16 93.772 -20.734 41.911 1.00 0.00 C ATOM 1079 C HIS B 16 93.481 -19.254 41.658 1.00 0.00 C ATOM 1080 O HIS B 16 93.321 -18.826 40.533 1.00 0.00 O ATOM 1081 CB HIS B 16 94.290 -20.919 43.341 1.00 0.00 C ATOM 1082 CG HIS B 16 94.809 -22.319 43.505 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.134 -22.651 43.252 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.200 -23.487 43.897 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.276 -23.967 43.494 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.129 -24.519 43.888 1.00 0.00 N ATOM 0 H HIS B 16 94.498 -22.004 40.356 1.00 0.00 H new ATOM 0 HA HIS B 16 92.854 -21.306 41.781 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.081 -20.199 43.549 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.490 -20.729 44.057 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.160 -23.587 44.170 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.204 -24.508 43.383 1.00 0.00 H new ATOM 0 HE2 HIS B 16 94.967 -25.496 44.132 1.00 0.00 H new ATOM 1095 N SER B 17 93.403 -18.472 42.703 1.00 0.00 N ATOM 1096 CA SER B 17 93.114 -17.018 42.540 1.00 0.00 C ATOM 1097 C SER B 17 94.408 -16.255 42.249 1.00 0.00 C ATOM 1098 O SER B 17 94.395 -15.057 42.045 1.00 0.00 O ATOM 1099 CB SER B 17 92.490 -16.483 43.831 1.00 0.00 C ATOM 1100 OG SER B 17 92.551 -15.063 43.831 1.00 0.00 O ATOM 0 H SER B 17 93.528 -18.781 43.667 1.00 0.00 H new ATOM 0 HA SER B 17 92.424 -16.880 41.707 1.00 0.00 H new ATOM 0 HB2 SER B 17 91.454 -16.814 43.912 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.020 -16.881 44.696 1.00 0.00 H new ATOM 0 HG SER B 17 92.955 -14.753 42.993 1.00 0.00 H new ATOM 1106 N ASN B 18 95.529 -16.928 42.234 1.00 0.00 N ATOM 1107 CA ASN B 18 96.813 -16.221 41.965 1.00 0.00 C ATOM 1108 C ASN B 18 96.976 -16.002 40.459 1.00 0.00 C ATOM 1109 O ASN B 18 97.683 -16.729 39.790 1.00 0.00 O ATOM 1110 CB ASN B 18 97.980 -17.075 42.462 1.00 0.00 C ATOM 1111 CG ASN B 18 97.982 -17.115 43.988 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.451 -16.233 44.634 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.563 -18.112 44.592 1.00 0.00 N ATOM 0 H ASN B 18 95.610 -17.932 42.396 1.00 0.00 H new ATOM 0 HA ASN B 18 96.804 -15.261 42.481 1.00 0.00 H new ATOM 0 HB2 ASN B 18 97.898 -18.086 42.063 1.00 0.00 H new ATOM 0 HB3 ASN B 18 98.922 -16.665 42.099 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.574 -18.155 45.611 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.007 -18.850 44.046 1.00 0.00 H new ATOM 1120 N TRP B 19 96.335 -15.001 39.918 1.00 0.00 N ATOM 1121 CA TRP B 19 96.464 -14.740 38.459 1.00 0.00 C ATOM 1122 C TRP B 19 97.868 -14.210 38.151 1.00 0.00 C ATOM 1123 O TRP B 19 98.348 -14.312 37.041 1.00 0.00 O ATOM 1124 CB TRP B 19 95.415 -13.711 38.024 1.00 0.00 C ATOM 1125 CG TRP B 19 95.614 -12.432 38.771 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.928 -12.068 39.880 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.541 -11.343 38.486 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.375 -10.825 40.293 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.369 -10.337 39.467 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.504 -11.133 37.484 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.124 -9.165 39.453 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.269 -9.954 37.468 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.077 -8.972 38.452 1.00 0.00 C ATOM 0 H TRP B 19 95.729 -14.355 40.424 1.00 0.00 H new ATOM 0 HA TRP B 19 96.304 -15.669 37.912 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.492 -13.531 36.952 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.414 -14.099 38.211 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.158 -12.652 40.363 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.014 -10.329 41.108 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.657 -11.882 36.721 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.972 -8.412 40.212 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.008 -9.803 36.695 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.667 -8.067 38.435 1.00 0.00 H new ATOM 1144 N ARG B 20 98.526 -13.640 39.124 1.00 0.00 N ATOM 1145 CA ARG B 20 99.896 -13.096 38.888 1.00 0.00 C ATOM 1146 C ARG B 20 100.840 -14.217 38.450 1.00 0.00 C ATOM 1147 O ARG B 20 101.652 -14.045 37.563 1.00 0.00 O ATOM 1148 CB ARG B 20 100.422 -12.486 40.185 1.00 0.00 C ATOM 1149 CG ARG B 20 99.643 -11.209 40.499 1.00 0.00 C ATOM 1150 CD ARG B 20 100.166 -10.593 41.795 1.00 0.00 C ATOM 1151 NE ARG B 20 99.372 -9.371 42.111 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.462 -8.818 43.290 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.274 -9.313 44.184 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.742 -7.766 43.574 1.00 0.00 N ATOM 0 H ARG B 20 98.174 -13.527 40.075 1.00 0.00 H new ATOM 0 HA ARG B 20 99.848 -12.339 38.105 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.318 -13.199 41.003 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.485 -12.263 40.090 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.746 -10.498 39.679 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.581 -11.434 40.594 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.090 -11.312 42.611 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.221 -10.339 41.692 1.00 0.00 H new ATOM 0 HE ARG B 20 98.757 -8.966 41.405 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.839 -10.133 43.962 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.344 -8.880 45.105 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.110 -7.377 42.875 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.812 -7.334 44.495 1.00 0.00 H new ATOM 1168 N ALA B 21 100.745 -15.362 39.069 1.00 0.00 N ATOM 1169 CA ALA B 21 101.647 -16.484 38.691 1.00 0.00 C ATOM 1170 C ALA B 21 101.323 -16.934 37.264 1.00 0.00 C ATOM 1171 O ALA B 21 102.204 -17.226 36.480 1.00 0.00 O ATOM 1172 CB ALA B 21 101.438 -17.650 39.659 1.00 0.00 C ATOM 0 H ALA B 21 100.084 -15.568 39.818 1.00 0.00 H new ATOM 0 HA ALA B 21 102.685 -16.155 38.740 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.097 -18.473 39.385 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.666 -17.325 40.674 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.401 -17.983 39.609 1.00 0.00 H new ATOM 1178 N MET B 22 100.066 -16.985 36.919 1.00 0.00 N ATOM 1179 CA MET B 22 99.688 -17.408 35.544 1.00 0.00 C ATOM 1180 C MET B 22 100.298 -16.437 34.530 1.00 0.00 C ATOM 1181 O MET B 22 100.830 -16.836 33.513 1.00 0.00 O ATOM 1182 CB MET B 22 98.165 -17.386 35.404 1.00 0.00 C ATOM 1183 CG MET B 22 97.751 -18.067 34.096 1.00 0.00 C ATOM 1184 SD MET B 22 96.065 -17.565 33.668 1.00 0.00 S ATOM 1185 CE MET B 22 95.269 -18.073 35.210 1.00 0.00 C ATOM 0 H MET B 22 99.285 -16.752 37.532 1.00 0.00 H new ATOM 0 HA MET B 22 100.059 -18.416 35.360 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.706 -17.896 36.251 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.805 -16.357 35.418 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.439 -17.792 33.296 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.804 -19.150 34.204 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.203 -18.222 35.037 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.714 -19.005 35.559 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.409 -17.299 35.964 1.00 0.00 H new ATOM 1195 N ALA B 23 100.210 -15.160 34.794 1.00 0.00 N ATOM 1196 CA ALA B 23 100.768 -14.156 33.843 1.00 0.00 C ATOM 1197 C ALA B 23 102.272 -14.387 33.665 1.00 0.00 C ATOM 1198 O ALA B 23 102.803 -14.276 32.579 1.00 0.00 O ATOM 1199 CB ALA B 23 100.530 -12.750 34.401 1.00 0.00 C ATOM 0 H ALA B 23 99.775 -14.769 35.629 1.00 0.00 H new ATOM 0 HA ALA B 23 100.275 -14.259 32.876 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.936 -12.011 33.710 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.460 -12.583 34.523 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.025 -12.654 35.367 1.00 0.00 H new ATOM 1205 N SER B 24 102.963 -14.694 34.728 1.00 0.00 N ATOM 1206 CA SER B 24 104.433 -14.917 34.621 1.00 0.00 C ATOM 1207 C SER B 24 104.719 -16.183 33.807 1.00 0.00 C ATOM 1208 O SER B 24 105.646 -16.228 33.020 1.00 0.00 O ATOM 1209 CB SER B 24 105.036 -15.057 36.020 1.00 0.00 C ATOM 1210 OG SER B 24 106.441 -15.242 35.907 1.00 0.00 O ATOM 0 H SER B 24 102.574 -14.800 35.665 1.00 0.00 H new ATOM 0 HA SER B 24 104.884 -14.063 34.115 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.821 -14.168 36.612 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.586 -15.903 36.540 1.00 0.00 H new ATOM 0 HG SER B 24 106.832 -15.331 36.801 1.00 0.00 H new ATOM 1216 N ASP B 25 103.944 -17.217 33.996 1.00 0.00 N ATOM 1217 CA ASP B 25 104.196 -18.480 33.238 1.00 0.00 C ATOM 1218 C ASP B 25 103.856 -18.294 31.758 1.00 0.00 C ATOM 1219 O ASP B 25 104.565 -18.765 30.893 1.00 0.00 O ATOM 1220 CB ASP B 25 103.322 -19.598 33.810 1.00 0.00 C ATOM 1221 CG ASP B 25 103.851 -20.019 35.179 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.980 -19.680 35.487 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.116 -20.675 35.895 1.00 0.00 O ATOM 0 H ASP B 25 103.152 -17.244 34.638 1.00 0.00 H new ATOM 0 HA ASP B 25 105.251 -18.739 33.333 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.290 -19.257 33.898 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.319 -20.452 33.133 1.00 0.00 H new ATOM 1228 N PHE B 26 102.783 -17.613 31.457 1.00 0.00 N ATOM 1229 CA PHE B 26 102.400 -17.398 30.026 1.00 0.00 C ATOM 1230 C PHE B 26 102.876 -16.015 29.577 1.00 0.00 C ATOM 1231 O PHE B 26 102.666 -15.608 28.451 1.00 0.00 O ATOM 1232 CB PHE B 26 100.882 -17.502 29.892 1.00 0.00 C ATOM 1233 CG PHE B 26 100.465 -18.941 30.110 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.205 -19.407 31.405 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.341 -19.809 29.017 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.824 -20.739 31.608 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.958 -21.141 29.220 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.700 -21.607 30.518 1.00 0.00 C ATOM 0 H PHE B 26 102.152 -17.194 32.140 1.00 0.00 H new ATOM 0 HA PHE B 26 102.867 -18.156 29.397 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.395 -16.854 30.621 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.567 -17.164 28.905 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.298 -18.738 32.248 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.541 -19.451 28.018 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.626 -21.097 32.608 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.861 -21.809 28.377 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.406 -22.634 30.675 1.00 0.00 H new ATOM 1248 N ASN B 27 103.527 -15.297 30.449 1.00 0.00 N ATOM 1249 CA ASN B 27 104.038 -13.945 30.083 1.00 0.00 C ATOM 1250 C ASN B 27 102.904 -13.093 29.499 1.00 0.00 C ATOM 1251 O ASN B 27 103.061 -12.465 28.472 1.00 0.00 O ATOM 1252 CB ASN B 27 105.151 -14.092 29.042 1.00 0.00 C ATOM 1253 CG ASN B 27 106.285 -14.944 29.623 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.765 -15.858 28.980 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.733 -14.684 30.820 1.00 0.00 N ATOM 0 H ASN B 27 103.729 -15.590 31.405 1.00 0.00 H new ATOM 0 HA ASN B 27 104.427 -13.455 30.976 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.759 -14.557 28.138 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.529 -13.110 28.757 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.486 -15.247 31.216 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.331 -13.918 31.360 1.00 0.00 H new ATOM 1262 N LEU B 28 101.764 -13.069 30.148 1.00 0.00 N ATOM 1263 CA LEU B 28 100.603 -12.261 29.644 1.00 0.00 C ATOM 1264 C LEU B 28 100.308 -11.126 30.632 1.00 0.00 C ATOM 1265 O LEU B 28 100.596 -11.241 31.806 1.00 0.00 O ATOM 1266 CB LEU B 28 99.367 -13.169 29.557 1.00 0.00 C ATOM 1267 CG LEU B 28 99.416 -14.019 28.277 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.500 -15.236 28.438 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.936 -13.200 27.066 1.00 0.00 C ATOM 0 H LEU B 28 101.585 -13.579 31.013 1.00 0.00 H new ATOM 0 HA LEU B 28 100.841 -11.848 28.664 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.323 -13.819 30.431 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.461 -12.563 29.564 1.00 0.00 H new ATOM 0 HG LEU B 28 100.446 -14.337 28.112 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.534 -15.839 27.531 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.836 -15.835 29.285 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.478 -14.901 28.613 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.978 -13.818 26.169 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.910 -12.871 27.233 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.580 -12.330 26.937 1.00 0.00 H new ATOM 1281 N PRO B 29 99.723 -10.046 30.174 1.00 0.00 N ATOM 1282 CA PRO B 29 99.375 -8.898 31.060 1.00 0.00 C ATOM 1283 C PRO B 29 98.195 -9.245 31.985 1.00 0.00 C ATOM 1284 O PRO B 29 97.445 -10.163 31.718 1.00 0.00 O ATOM 1285 CB PRO B 29 99.003 -7.779 30.077 1.00 0.00 C ATOM 1286 CG PRO B 29 98.516 -8.494 28.858 1.00 0.00 C ATOM 1287 CD PRO B 29 99.329 -9.788 28.774 1.00 0.00 C ATOM 0 HA PRO B 29 100.191 -8.618 31.726 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.232 -7.129 30.490 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.863 -7.149 29.850 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.450 -8.707 28.931 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.659 -7.885 27.965 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.736 -10.607 28.367 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.199 -9.673 28.128 1.00 0.00 H new ATOM 1295 N PRO B 30 98.033 -8.524 33.064 1.00 0.00 N ATOM 1296 CA PRO B 30 96.929 -8.774 34.039 1.00 0.00 C ATOM 1297 C PRO B 30 95.549 -8.816 33.359 1.00 0.00 C ATOM 1298 O PRO B 30 94.618 -9.410 33.863 1.00 0.00 O ATOM 1299 CB PRO B 30 97.030 -7.588 35.031 1.00 0.00 C ATOM 1300 CG PRO B 30 97.942 -6.588 34.379 1.00 0.00 C ATOM 1301 CD PRO B 30 98.871 -7.392 33.480 1.00 0.00 C ATOM 0 HA PRO B 30 97.028 -9.744 34.526 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.049 -7.155 35.224 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.429 -7.914 35.991 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.373 -5.860 33.801 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.507 -6.031 35.126 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.211 -6.807 32.626 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.761 -7.724 34.014 1.00 0.00 H new ATOM 1309 N VAL B 31 95.410 -8.183 32.227 1.00 0.00 N ATOM 1310 CA VAL B 31 94.091 -8.175 31.527 1.00 0.00 C ATOM 1311 C VAL B 31 93.659 -9.607 31.184 1.00 0.00 C ATOM 1312 O VAL B 31 92.542 -10.010 31.442 1.00 0.00 O ATOM 1313 CB VAL B 31 94.232 -7.363 30.231 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.978 -7.519 29.360 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.430 -5.888 30.582 1.00 0.00 C ATOM 0 H VAL B 31 96.154 -7.669 31.754 1.00 0.00 H new ATOM 0 HA VAL B 31 93.338 -7.730 32.177 1.00 0.00 H new ATOM 0 HB VAL B 31 95.092 -7.732 29.673 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.095 -6.937 28.446 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.840 -8.570 29.106 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.107 -7.161 29.909 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.531 -5.306 29.666 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.569 -5.530 31.147 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.331 -5.775 31.184 1.00 0.00 H new ATOM 1325 N VAL B 32 94.523 -10.369 30.575 1.00 0.00 N ATOM 1326 CA VAL B 32 94.148 -11.760 30.189 1.00 0.00 C ATOM 1327 C VAL B 32 94.115 -12.683 31.413 1.00 0.00 C ATOM 1328 O VAL B 32 93.218 -13.488 31.559 1.00 0.00 O ATOM 1329 CB VAL B 32 95.159 -12.287 29.172 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.833 -13.743 28.840 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.078 -11.450 27.894 1.00 0.00 C ATOM 0 H VAL B 32 95.472 -10.090 30.327 1.00 0.00 H new ATOM 0 HA VAL B 32 93.150 -11.744 29.751 1.00 0.00 H new ATOM 0 HB VAL B 32 96.163 -12.222 29.591 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.553 -14.121 28.114 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.884 -14.343 29.748 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.829 -13.804 28.420 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.799 -11.825 27.167 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.073 -11.519 27.477 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.304 -10.409 28.126 1.00 0.00 H new ATOM 1341 N ALA B 33 95.082 -12.592 32.283 1.00 0.00 N ATOM 1342 CA ALA B 33 95.082 -13.493 33.471 1.00 0.00 C ATOM 1343 C ALA B 33 93.826 -13.248 34.303 1.00 0.00 C ATOM 1344 O ALA B 33 93.109 -14.166 34.650 1.00 0.00 O ATOM 1345 CB ALA B 33 96.329 -13.227 34.322 1.00 0.00 C ATOM 0 H ALA B 33 95.865 -11.941 32.225 1.00 0.00 H new ATOM 0 HA ALA B 33 95.092 -14.530 33.136 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.325 -13.887 35.189 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.223 -13.415 33.727 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.327 -12.189 34.656 1.00 0.00 H new ATOM 1351 N LYS B 34 93.549 -12.018 34.613 1.00 0.00 N ATOM 1352 CA LYS B 34 92.334 -11.704 35.417 1.00 0.00 C ATOM 1353 C LYS B 34 91.092 -12.183 34.657 1.00 0.00 C ATOM 1354 O LYS B 34 90.155 -12.697 35.235 1.00 0.00 O ATOM 1355 CB LYS B 34 92.247 -10.195 35.644 1.00 0.00 C ATOM 1356 CG LYS B 34 93.358 -9.758 36.603 1.00 0.00 C ATOM 1357 CD LYS B 34 93.264 -8.246 36.824 1.00 0.00 C ATOM 1358 CE LYS B 34 94.371 -7.796 37.781 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.235 -6.334 38.041 1.00 0.00 N ATOM 0 H LYS B 34 94.112 -11.210 34.345 1.00 0.00 H new ATOM 0 HA LYS B 34 92.391 -12.209 36.381 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.343 -9.668 34.695 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.272 -9.934 36.057 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.263 -10.283 37.553 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.333 -10.018 36.192 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.358 -7.723 35.872 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.288 -7.989 37.235 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.306 -8.351 38.717 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.349 -8.011 37.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.986 -6.026 38.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.317 -5.813 37.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.307 -6.142 38.469 1.00 0.00 H new ATOM 1373 N GLU B 35 91.075 -12.000 33.368 1.00 0.00 N ATOM 1374 CA GLU B 35 89.897 -12.427 32.560 1.00 0.00 C ATOM 1375 C GLU B 35 89.711 -13.944 32.666 1.00 0.00 C ATOM 1376 O GLU B 35 88.602 -14.432 32.760 1.00 0.00 O ATOM 1377 CB GLU B 35 90.110 -12.036 31.093 1.00 0.00 C ATOM 1378 CG GLU B 35 88.798 -12.195 30.314 1.00 0.00 C ATOM 1379 CD GLU B 35 88.510 -13.680 30.073 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.447 -14.460 30.106 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.356 -14.013 29.854 1.00 0.00 O ATOM 0 H GLU B 35 91.831 -11.570 32.834 1.00 0.00 H new ATOM 0 HA GLU B 35 89.005 -11.931 32.942 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.458 -11.005 31.029 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.884 -12.662 30.650 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.977 -11.742 30.871 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.865 -11.670 29.361 1.00 0.00 H new ATOM 1388 N ILE B 36 90.778 -14.699 32.650 1.00 0.00 N ATOM 1389 CA ILE B 36 90.625 -16.180 32.746 1.00 0.00 C ATOM 1390 C ILE B 36 89.930 -16.506 34.068 1.00 0.00 C ATOM 1391 O ILE B 36 89.028 -17.320 34.125 1.00 0.00 O ATOM 1392 CB ILE B 36 92.004 -16.842 32.690 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.577 -16.680 31.280 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.878 -18.331 33.014 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.052 -17.089 31.270 1.00 0.00 C ATOM 0 H ILE B 36 91.737 -14.360 32.576 1.00 0.00 H new ATOM 0 HA ILE B 36 90.028 -16.557 31.915 1.00 0.00 H new ATOM 0 HB ILE B 36 92.663 -16.370 33.419 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.015 -17.294 30.576 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.475 -15.645 30.953 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.863 -18.797 32.973 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.461 -18.452 34.014 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.220 -18.807 32.287 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.455 -16.972 30.264 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.610 -16.456 31.960 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.143 -18.131 31.578 1.00 0.00 H new ATOM 1407 N VAL B 37 90.316 -15.847 35.124 1.00 0.00 N ATOM 1408 CA VAL B 37 89.652 -16.078 36.436 1.00 0.00 C ATOM 1409 C VAL B 37 88.194 -15.626 36.324 1.00 0.00 C ATOM 1410 O VAL B 37 87.287 -16.256 36.834 1.00 0.00 O ATOM 1411 CB VAL B 37 90.372 -15.255 37.508 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.565 -15.268 38.811 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.758 -15.859 37.758 1.00 0.00 C ATOM 0 H VAL B 37 91.066 -15.156 35.135 1.00 0.00 H new ATOM 0 HA VAL B 37 89.691 -17.133 36.708 1.00 0.00 H new ATOM 0 HB VAL B 37 90.473 -14.225 37.165 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.085 -14.680 39.567 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.579 -14.839 38.633 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.456 -16.294 39.161 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.276 -15.277 38.521 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.650 -16.889 38.098 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.335 -15.841 36.833 1.00 0.00 H new ATOM 1423 N ALA B 38 87.970 -14.529 35.650 1.00 0.00 N ATOM 1424 CA ALA B 38 86.584 -14.012 35.483 1.00 0.00 C ATOM 1425 C ALA B 38 85.729 -15.039 34.732 1.00 0.00 C ATOM 1426 O ALA B 38 84.515 -15.017 34.801 1.00 0.00 O ATOM 1427 CB ALA B 38 86.626 -12.703 34.685 1.00 0.00 C ATOM 0 H ALA B 38 88.695 -13.966 35.205 1.00 0.00 H new ATOM 0 HA ALA B 38 86.146 -13.833 36.465 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.613 -12.320 34.560 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.228 -11.969 35.221 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.067 -12.888 33.706 1.00 0.00 H new ATOM 1433 N SER B 39 86.351 -15.924 34.001 1.00 0.00 N ATOM 1434 CA SER B 39 85.571 -16.940 33.230 1.00 0.00 C ATOM 1435 C SER B 39 85.321 -18.167 34.106 1.00 0.00 C ATOM 1436 O SER B 39 84.224 -18.688 34.159 1.00 0.00 O ATOM 1437 CB SER B 39 86.368 -17.349 31.989 1.00 0.00 C ATOM 1438 OG SER B 39 86.386 -16.270 31.064 1.00 0.00 O ATOM 0 H SER B 39 87.364 -15.989 33.903 1.00 0.00 H new ATOM 0 HA SER B 39 84.614 -16.515 32.927 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.386 -17.619 32.270 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.920 -18.230 31.529 1.00 0.00 H new ATOM 0 HG SER B 39 87.186 -15.724 31.214 1.00 0.00 H new ATOM 1444 N CYS B 40 86.317 -18.631 34.805 1.00 0.00 N ATOM 1445 CA CYS B 40 86.113 -19.814 35.682 1.00 0.00 C ATOM 1446 C CYS B 40 85.021 -19.482 36.703 1.00 0.00 C ATOM 1447 O CYS B 40 85.092 -18.489 37.398 1.00 0.00 O ATOM 1448 CB CYS B 40 87.422 -20.141 36.404 1.00 0.00 C ATOM 1449 SG CYS B 40 87.372 -21.845 37.014 1.00 0.00 S ATOM 0 H CYS B 40 87.261 -18.243 34.807 1.00 0.00 H new ATOM 0 HA CYS B 40 85.811 -20.677 35.089 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.265 -20.012 35.725 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.573 -19.451 37.234 1.00 0.00 H new ATOM 1454 N ASP B 41 84.006 -20.295 36.797 1.00 0.00 N ATOM 1455 CA ASP B 41 82.915 -20.004 37.769 1.00 0.00 C ATOM 1456 C ASP B 41 83.365 -20.376 39.182 1.00 0.00 C ATOM 1457 O ASP B 41 82.862 -19.858 40.159 1.00 0.00 O ATOM 1458 CB ASP B 41 81.673 -20.815 37.400 1.00 0.00 C ATOM 1459 CG ASP B 41 81.069 -20.262 36.108 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.333 -19.110 35.798 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.354 -21.002 35.446 1.00 0.00 O ATOM 0 H ASP B 41 83.885 -21.145 36.246 1.00 0.00 H new ATOM 0 HA ASP B 41 82.680 -18.940 37.736 1.00 0.00 H new ATOM 0 HB2 ASP B 41 81.936 -21.865 37.271 1.00 0.00 H new ATOM 0 HB3 ASP B 41 80.941 -20.767 38.206 1.00 0.00 H new ATOM 1466 N LYS B 42 84.300 -21.275 39.304 1.00 0.00 N ATOM 1467 CA LYS B 42 84.762 -21.673 40.660 1.00 0.00 C ATOM 1468 C LYS B 42 85.596 -20.545 41.272 1.00 0.00 C ATOM 1469 O LYS B 42 85.488 -20.251 42.447 1.00 0.00 O ATOM 1470 CB LYS B 42 85.593 -22.953 40.554 1.00 0.00 C ATOM 1471 CG LYS B 42 84.684 -24.103 40.118 1.00 0.00 C ATOM 1472 CD LYS B 42 85.497 -25.397 40.009 1.00 0.00 C ATOM 1473 CE LYS B 42 84.575 -26.540 39.574 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.127 -26.312 38.172 1.00 0.00 N ATOM 0 H LYS B 42 84.762 -21.749 38.528 1.00 0.00 H new ATOM 0 HA LYS B 42 83.902 -21.859 41.303 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.401 -22.819 39.835 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.055 -23.182 41.514 1.00 0.00 H new ATOM 0 HG2 LYS B 42 83.875 -24.231 40.837 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.224 -23.870 39.158 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.305 -25.272 39.288 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.958 -25.632 40.968 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.099 -27.493 39.649 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.712 -26.598 40.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.766 -27.202 37.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.372 -25.597 38.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.929 -25.977 37.601 1.00 0.00 H new ATOM 1488 N CYS B 43 86.423 -19.903 40.487 1.00 0.00 N ATOM 1489 CA CYS B 43 87.259 -18.785 41.023 1.00 0.00 C ATOM 1490 C CYS B 43 86.479 -17.468 40.931 1.00 0.00 C ATOM 1491 O CYS B 43 86.977 -16.414 41.280 1.00 0.00 O ATOM 1492 CB CYS B 43 88.558 -18.674 40.225 1.00 0.00 C ATOM 1493 SG CYS B 43 89.471 -20.231 40.358 1.00 0.00 S ATOM 0 H CYS B 43 86.556 -20.105 39.496 1.00 0.00 H new ATOM 0 HA CYS B 43 87.501 -18.989 42.066 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.339 -18.455 39.180 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.163 -17.850 40.604 1.00 0.00 H new ATOM 1498 N GLN B 44 85.263 -17.514 40.460 1.00 0.00 N ATOM 1499 CA GLN B 44 84.456 -16.265 40.344 1.00 0.00 C ATOM 1500 C GLN B 44 83.932 -15.895 41.731 1.00 0.00 C ATOM 1501 O GLN B 44 84.364 -14.933 42.334 1.00 0.00 O ATOM 1502 CB GLN B 44 83.277 -16.520 39.397 1.00 0.00 C ATOM 1503 CG GLN B 44 82.514 -15.217 39.125 1.00 0.00 C ATOM 1504 CD GLN B 44 83.288 -14.375 38.109 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.834 -14.898 37.157 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.357 -13.083 38.272 1.00 0.00 N ATOM 0 H GLN B 44 84.792 -18.364 40.150 1.00 0.00 H new ATOM 0 HA GLN B 44 85.066 -15.451 39.951 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.641 -16.938 38.458 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.604 -17.258 39.835 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.517 -15.440 38.745 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.384 -14.659 40.052 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.899 -12.645 39.071 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.869 -12.511 37.601 1.00 0.00 H new ATOM 1515 N LEU B 45 83.010 -16.659 42.244 1.00 0.00 N ATOM 1516 CA LEU B 45 82.458 -16.368 43.598 1.00 0.00 C ATOM 1517 C LEU B 45 83.324 -17.061 44.652 1.00 0.00 C ATOM 1518 O LEU B 45 83.846 -18.137 44.428 1.00 0.00 O ATOM 1519 CB LEU B 45 81.030 -16.905 43.690 1.00 0.00 C ATOM 1520 CG LEU B 45 80.208 -16.399 42.502 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.780 -16.940 42.614 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.178 -14.864 42.500 1.00 0.00 C ATOM 0 H LEU B 45 82.612 -17.477 41.782 1.00 0.00 H new ATOM 0 HA LEU B 45 82.456 -15.292 43.769 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.041 -17.995 43.698 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.571 -16.584 44.625 1.00 0.00 H new ATOM 0 HG LEU B 45 80.663 -16.745 41.574 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.189 -16.583 41.771 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.802 -18.030 42.607 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.331 -16.593 43.545 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.591 -14.513 41.651 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.726 -14.508 43.426 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.195 -14.480 42.421 1.00 0.00 H new ATOM 1534 N LYS B 46 83.480 -16.465 45.800 1.00 0.00 N ATOM 1535 CA LYS B 46 84.312 -17.107 46.856 1.00 0.00 C ATOM 1536 C LYS B 46 83.475 -18.185 47.550 1.00 0.00 C ATOM 1537 O LYS B 46 82.364 -17.939 47.976 1.00 0.00 O ATOM 1538 CB LYS B 46 84.734 -16.051 47.884 1.00 0.00 C ATOM 1539 CG LYS B 46 85.544 -14.939 47.199 1.00 0.00 C ATOM 1540 CD LYS B 46 86.964 -15.420 46.878 1.00 0.00 C ATOM 1541 CE LYS B 46 87.827 -14.219 46.478 1.00 0.00 C ATOM 1542 NZ LYS B 46 89.104 -14.701 45.882 1.00 0.00 N ATOM 0 H LYS B 46 83.070 -15.566 46.053 1.00 0.00 H new ATOM 0 HA LYS B 46 85.202 -17.553 46.411 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.852 -15.626 48.363 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.331 -16.515 48.669 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.043 -14.631 46.281 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.589 -14.064 47.847 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.396 -15.920 47.745 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.939 -16.150 46.069 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.292 -13.596 45.762 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.032 -13.598 47.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.690 -13.886 45.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.616 -15.279 46.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.899 -15.276 45.040 1.00 0.00 H new ATOM 1556 N GLY B 47 83.992 -19.377 47.666 1.00 0.00 N ATOM 1557 CA GLY B 47 83.217 -20.466 48.332 1.00 0.00 C ATOM 1558 C GLY B 47 81.795 -20.511 47.762 1.00 0.00 C ATOM 1559 O GLY B 47 81.558 -20.137 46.629 1.00 0.00 O ATOM 0 H GLY B 47 84.917 -19.646 47.329 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.712 -21.425 48.177 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.183 -20.295 49.408 1.00 0.00 H new ATOM 1563 N GLU B 48 80.846 -20.967 48.540 1.00 0.00 N ATOM 1564 CA GLU B 48 79.435 -21.043 48.050 1.00 0.00 C ATOM 1565 C GLU B 48 78.734 -19.705 48.308 1.00 0.00 C ATOM 1566 O GLU B 48 77.521 -19.628 48.335 1.00 0.00 O ATOM 1567 CB GLU B 48 78.698 -22.160 48.792 1.00 0.00 C ATOM 1568 CG GLU B 48 79.241 -23.516 48.340 1.00 0.00 C ATOM 1569 CD GLU B 48 78.546 -24.632 49.117 1.00 0.00 C ATOM 1570 OE1 GLU B 48 77.823 -24.318 50.049 1.00 0.00 O ATOM 1571 OE2 GLU B 48 78.747 -25.783 48.768 1.00 0.00 O ATOM 0 H GLU B 48 80.988 -21.291 49.497 1.00 0.00 H new ATOM 0 HA GLU B 48 79.430 -21.254 46.981 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.828 -22.044 49.868 1.00 0.00 H new ATOM 0 HB3 GLU B 48 77.628 -22.100 48.592 1.00 0.00 H new ATOM 0 HG2 GLU B 48 79.076 -23.647 47.271 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.318 -23.561 48.504 1.00 0.00 H new ATOM 1578 N ALA B 49 79.498 -18.657 48.503 1.00 0.00 N ATOM 1579 CA ALA B 49 78.909 -17.303 48.762 1.00 0.00 C ATOM 1580 C ALA B 49 78.584 -17.161 50.251 1.00 0.00 C ATOM 1581 O ALA B 49 79.259 -17.710 51.098 1.00 0.00 O ATOM 1582 CB ALA B 49 77.636 -17.097 47.917 1.00 0.00 C ATOM 0 H ALA B 49 80.518 -18.682 48.494 1.00 0.00 H new ATOM 0 HA ALA B 49 79.635 -16.541 48.478 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.222 -16.109 48.118 1.00 0.00 H new ATOM 0 HB2 ALA B 49 77.885 -17.178 46.859 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.900 -17.858 48.176 1.00 0.00 H new ATOM 1588 N MET B 50 77.554 -16.428 50.578 1.00 0.00 N ATOM 1589 CA MET B 50 77.196 -16.261 52.013 1.00 0.00 C ATOM 1590 C MET B 50 76.507 -17.530 52.514 1.00 0.00 C ATOM 1591 O MET B 50 75.559 -18.011 51.923 1.00 0.00 O ATOM 1592 CB MET B 50 76.247 -15.070 52.171 1.00 0.00 C ATOM 1593 CG MET B 50 76.930 -13.797 51.672 1.00 0.00 C ATOM 1594 SD MET B 50 78.323 -13.398 52.757 1.00 0.00 S ATOM 1595 CE MET B 50 79.438 -12.745 51.488 1.00 0.00 C ATOM 0 H MET B 50 76.949 -15.941 49.917 1.00 0.00 H new ATOM 0 HA MET B 50 78.101 -16.082 52.594 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.330 -15.246 51.609 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.963 -14.956 53.217 1.00 0.00 H new ATOM 0 HG2 MET B 50 77.280 -13.936 50.649 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.219 -12.971 51.657 1.00 0.00 H new ATOM 0 HE1 MET B 50 80.375 -12.435 51.951 1.00 0.00 H new ATOM 0 HE2 MET B 50 79.638 -13.519 50.747 1.00 0.00 H new ATOM 0 HE3 MET B 50 78.973 -11.888 51.001 1.00 0.00 H new ATOM 1605 N HIS B 51 76.979 -18.073 53.604 1.00 0.00 N ATOM 1606 CA HIS B 51 76.362 -19.309 54.163 1.00 0.00 C ATOM 1607 C HIS B 51 75.249 -18.929 55.143 1.00 0.00 C ATOM 1608 O HIS B 51 74.625 -19.781 55.743 1.00 0.00 O ATOM 1609 CB HIS B 51 77.432 -20.141 54.873 1.00 0.00 C ATOM 1610 CG HIS B 51 78.200 -19.278 55.835 1.00 0.00 C ATOM 1611 ND1 HIS B 51 79.266 -18.483 55.431 1.00 0.00 N ATOM 1612 CD2 HIS B 51 78.083 -19.088 57.190 1.00 0.00 C ATOM 1613 CE1 HIS B 51 79.743 -17.860 56.525 1.00 0.00 C ATOM 1614 NE2 HIS B 51 79.056 -18.195 57.619 1.00 0.00 N ATOM 0 H HIS B 51 77.771 -17.710 54.134 1.00 0.00 H new ATOM 0 HA HIS B 51 75.934 -19.901 53.354 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.966 -20.969 55.407 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.111 -20.577 54.140 1.00 0.00 H new ATOM 0 HD2 HIS B 51 77.348 -19.560 57.824 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.578 -17.175 56.518 1.00 0.00 H new ATOM 0 HE2 HIS B 51 79.213 -17.864 58.571 1.00 0.00 H new ATOM 1623 N GLY B 52 74.998 -17.651 55.309 1.00 0.00 N ATOM 1624 CA GLY B 52 73.922 -17.200 56.250 1.00 0.00 C ATOM 1625 C GLY B 52 74.441 -16.036 57.096 1.00 0.00 C ATOM 1626 O GLY B 52 73.844 -15.662 58.086 1.00 0.00 O ATOM 0 H GLY B 52 75.494 -16.898 54.831 1.00 0.00 H new ATOM 0 HA2 GLY B 52 73.040 -16.891 55.690 1.00 0.00 H new ATOM 0 HA3 GLY B 52 73.618 -18.025 56.894 1.00 0.00 H new ATOM 1630 N GLN B 53 75.545 -15.458 56.714 1.00 0.00 N ATOM 1631 CA GLN B 53 76.102 -14.317 57.496 1.00 0.00 C ATOM 1632 C GLN B 53 75.340 -13.039 57.127 1.00 0.00 C ATOM 1633 O GLN B 53 75.110 -12.756 55.968 1.00 0.00 O ATOM 1634 CB GLN B 53 77.588 -14.156 57.165 1.00 0.00 C ATOM 1635 CG GLN B 53 78.175 -12.993 57.970 1.00 0.00 C ATOM 1636 CD GLN B 53 79.684 -12.907 57.724 1.00 0.00 C ATOM 1637 OE1 GLN B 53 80.337 -11.844 58.110 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 80.273 -13.810 57.164 1.00 0.00 N flip ATOM 0 H GLN B 53 76.087 -15.726 55.893 1.00 0.00 H new ATOM 0 HA GLN B 53 75.993 -14.506 58.564 1.00 0.00 H new ATOM 0 HB2 GLN B 53 78.123 -15.077 57.396 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.715 -13.972 56.098 1.00 0.00 H new ATOM 0 HG2 GLN B 53 77.695 -12.058 57.680 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.977 -13.137 59.032 1.00 0.00 H new ATOM 0 HE21 GLN B 53 79.764 -14.641 56.862 1.00 0.00 H new ATOM 0 HE22 GLN B 53 81.276 -13.737 56.996 1.00 0.00 H new ATOM 1647 N VAL B 54 74.936 -12.266 58.107 1.00 0.00 N ATOM 1648 CA VAL B 54 74.178 -11.009 57.820 1.00 0.00 C ATOM 1649 C VAL B 54 75.135 -9.816 57.826 1.00 0.00 C ATOM 1650 O VAL B 54 74.781 -8.722 57.434 1.00 0.00 O ATOM 1651 CB VAL B 54 73.128 -10.800 58.912 1.00 0.00 C ATOM 1652 CG1 VAL B 54 72.292 -9.560 58.591 1.00 0.00 C ATOM 1653 CG2 VAL B 54 72.215 -12.026 58.989 1.00 0.00 C ATOM 0 H VAL B 54 75.100 -12.453 59.096 1.00 0.00 H new ATOM 0 HA VAL B 54 73.700 -11.091 56.844 1.00 0.00 H new ATOM 0 HB VAL B 54 73.629 -10.661 59.870 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.545 -9.413 59.371 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.941 -8.686 58.542 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.793 -9.696 57.631 1.00 0.00 H new ATOM 0 HG21 VAL B 54 71.468 -11.875 59.768 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.716 -12.169 58.030 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.810 -12.909 59.224 1.00 0.00 H new ATOM 1663 N ASP B 55 76.343 -10.011 58.280 1.00 0.00 N ATOM 1664 CA ASP B 55 77.315 -8.880 58.326 1.00 0.00 C ATOM 1665 C ASP B 55 78.734 -9.415 58.102 1.00 0.00 C ATOM 1666 O ASP B 55 79.505 -9.412 59.047 1.00 0.00 O ATOM 1667 CB ASP B 55 77.223 -8.209 59.698 1.00 0.00 C ATOM 1668 CG ASP B 55 77.562 -9.226 60.789 1.00 0.00 C ATOM 1669 OD1 ASP B 55 77.510 -10.411 60.503 1.00 0.00 O ATOM 1670 OD2 ASP B 55 77.866 -8.805 61.893 1.00 0.00 O ATOM 1671 OXT ASP B 55 79.024 -9.813 56.987 1.00 0.00 O ATOM 0 H ASP B 55 76.699 -10.904 58.621 1.00 0.00 H new ATOM 0 HA ASP B 55 77.083 -8.155 57.546 1.00 0.00 H new ATOM 0 HB2 ASP B 55 77.910 -7.364 59.748 1.00 0.00 H new ATOM 0 HB3 ASP B 55 76.219 -7.813 59.854 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 80.216 -1.553 36.045 1.00 0.00 CD HETATM 1678 CD CD B 56 89.660 -21.699 38.270 1.00 0.00 CD