USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HE2:sc= -2.82 K(o=-4.4,f=-5.5) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -0.98 K(o=-4.4,f=-6.3!) USER MOD Set 1.3: B 40 CYS SG : rot 163:sc= 0.853 USER MOD Set 1.4: B 43 CYS SG : rot 81:sc= -1.42 USER MOD Set 2.1: B 17 SER OG : rot -67:sc= 0.931 USER MOD Set 2.2: B 18 ASN : amide:sc= 0 X(o=0.93,f=0.88) USER MOD Set 3.1: A 17 SER OG : rot -64:sc= 0.785 USER MOD Set 3.2: A 18 ASN : amide:sc= 0 X(o=0.79,f=0.74) USER MOD Set 4.1: A 12 HIS : no HE2:sc= -2.74 K(o=-4.1,f=-5.6) USER MOD Set 4.2: A 16 HIS : no HD1:sc= -1.03 K(o=-4.1,f=-6!) USER MOD Set 4.3: A 40 CYS SG : rot 163:sc= 0.892 USER MOD Set 4.4: A 43 CYS SG : rot 80:sc= -1.26 USER MOD Single : A 1 PHE N :NH3+ 162:sc= 0.727 (180deg=0.293) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.101 (180deg=-0.612) USER MOD Single : A 9 GLN : amide:sc= -4.24! C(o=-4.2!,f=-4.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 158:sc= -0.141 (180deg=-1.27) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 177:sc= 0.689 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0398 (180deg=-0.396) USER MOD Single : A 44 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : B 1 PHE N :NH3+ 157:sc= 0.762 (180deg=0.378) USER MOD Single : B 7 LYS NZ :NH3+ 137:sc= -0.0907 (180deg=-0.59) USER MOD Single : B 9 GLN : amide:sc= -4.48! C(o=-4.5!,f=-4.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 MET CE :methyl 156:sc= -0.129 (180deg=-1.32) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 169:sc= 0.773 USER MOD Single : B 42 LYS NZ :NH3+ -161:sc= -0.0339 (180deg=-0.439) USER MOD Single : B 44 GLN : amide:sc= -2.07 K(o=-2.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.566 -3.902 23.820 1.00 0.00 N ATOM 2 CA PHE A 1 94.283 -4.509 25.152 1.00 0.00 C ATOM 3 C PHE A 1 93.935 -3.406 26.153 1.00 0.00 C ATOM 4 O PHE A 1 92.784 -3.084 26.370 1.00 0.00 O ATOM 5 CB PHE A 1 95.525 -5.255 25.651 1.00 0.00 C ATOM 6 CG PHE A 1 95.719 -6.530 24.861 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.306 -6.485 23.590 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.322 -7.758 25.403 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.494 -7.668 22.863 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.510 -8.941 24.675 1.00 0.00 C ATOM 11 CZ PHE A 1 96.095 -8.896 23.405 1.00 0.00 C ATOM 0 H1 PHE A 1 95.087 -4.583 23.232 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.670 -3.656 23.353 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.139 -3.043 23.945 1.00 0.00 H new ATOM 0 HA PHE A 1 93.447 -5.203 25.058 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.405 -4.619 25.552 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.418 -5.487 26.711 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.614 -5.539 23.170 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.870 -7.794 26.383 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.947 -7.633 21.883 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.203 -9.888 25.095 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.239 -9.807 22.843 1.00 0.00 H new ATOM 23 N LEU A 2 94.933 -2.836 26.770 1.00 0.00 N ATOM 24 CA LEU A 2 94.693 -1.760 27.772 1.00 0.00 C ATOM 25 C LEU A 2 93.999 -0.565 27.110 1.00 0.00 C ATOM 26 O LEU A 2 93.122 0.051 27.683 1.00 0.00 O ATOM 27 CB LEU A 2 96.042 -1.312 28.337 1.00 0.00 C ATOM 28 CG LEU A 2 96.742 -2.491 29.023 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.189 -2.104 29.333 1.00 0.00 C ATOM 30 CD2 LEU A 2 96.020 -2.857 30.332 1.00 0.00 C ATOM 0 H LEU A 2 95.914 -3.072 26.621 1.00 0.00 H new ATOM 0 HA LEU A 2 94.054 -2.140 28.569 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.670 -0.922 27.536 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.895 -0.501 29.050 1.00 0.00 H new ATOM 0 HG LEU A 2 96.720 -3.353 28.357 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.692 -2.939 29.821 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.707 -1.860 28.406 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.200 -1.237 29.994 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.530 -3.696 30.806 1.00 0.00 H new ATOM 0 HD22 LEU A 2 96.029 -1.999 31.005 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.989 -3.136 30.113 1.00 0.00 H new ATOM 42 N ASP A 3 94.393 -0.223 25.917 1.00 0.00 N ATOM 43 CA ASP A 3 93.763 0.943 25.230 1.00 0.00 C ATOM 44 C ASP A 3 92.289 0.663 24.941 1.00 0.00 C ATOM 45 O ASP A 3 91.445 1.525 25.087 1.00 0.00 O ATOM 46 CB ASP A 3 94.487 1.197 23.911 1.00 0.00 C ATOM 47 CG ASP A 3 95.889 1.740 24.190 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.753 0.952 24.531 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.077 2.939 24.051 1.00 0.00 O ATOM 0 H ASP A 3 95.123 -0.698 25.386 1.00 0.00 H new ATOM 0 HA ASP A 3 93.838 1.816 25.879 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.552 0.273 23.337 1.00 0.00 H new ATOM 0 HB3 ASP A 3 93.924 1.909 23.307 1.00 0.00 H new ATOM 54 N GLY A 4 91.971 -0.531 24.534 1.00 0.00 N ATOM 55 CA GLY A 4 90.547 -0.857 24.240 1.00 0.00 C ATOM 56 C GLY A 4 89.739 -0.719 25.527 1.00 0.00 C ATOM 57 O GLY A 4 88.624 -0.236 25.535 1.00 0.00 O ATOM 0 H GLY A 4 92.632 -1.295 24.392 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.156 -0.187 23.474 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.464 -1.871 23.849 1.00 0.00 H new ATOM 61 N ILE A 5 90.301 -1.152 26.617 1.00 0.00 N ATOM 62 CA ILE A 5 89.590 -1.068 27.918 1.00 0.00 C ATOM 63 C ILE A 5 89.440 0.396 28.339 1.00 0.00 C ATOM 64 O ILE A 5 88.423 0.796 28.872 1.00 0.00 O ATOM 65 CB ILE A 5 90.412 -1.829 28.964 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.340 -3.328 28.663 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.863 -1.561 30.366 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.352 -4.074 29.528 1.00 0.00 C ATOM 0 H ILE A 5 91.233 -1.565 26.662 1.00 0.00 H new ATOM 0 HA ILE A 5 88.595 -1.505 27.830 1.00 0.00 H new ATOM 0 HB ILE A 5 91.447 -1.491 28.923 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.335 -3.700 28.859 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.546 -3.507 27.608 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.456 -2.107 31.099 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.916 -0.493 30.579 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.825 -1.891 30.420 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.299 -5.141 29.312 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.356 -3.709 29.310 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.125 -3.905 30.581 1.00 0.00 H new ATOM 80 N ASP A 6 90.450 1.191 28.127 1.00 0.00 N ATOM 81 CA ASP A 6 90.375 2.622 28.537 1.00 0.00 C ATOM 82 C ASP A 6 89.218 3.321 27.819 1.00 0.00 C ATOM 83 O ASP A 6 88.406 3.983 28.435 1.00 0.00 O ATOM 84 CB ASP A 6 91.692 3.316 28.190 1.00 0.00 C ATOM 85 CG ASP A 6 91.630 4.784 28.621 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.893 5.535 28.002 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.321 5.133 29.564 1.00 0.00 O ATOM 0 H ASP A 6 91.327 0.912 27.687 1.00 0.00 H new ATOM 0 HA ASP A 6 90.202 2.677 29.612 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.521 2.815 28.690 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.878 3.249 27.118 1.00 0.00 H new ATOM 92 N LYS A 7 89.132 3.186 26.524 1.00 0.00 N ATOM 93 CA LYS A 7 88.018 3.855 25.793 1.00 0.00 C ATOM 94 C LYS A 7 86.695 3.186 26.170 1.00 0.00 C ATOM 95 O LYS A 7 85.685 3.837 26.348 1.00 0.00 O ATOM 96 CB LYS A 7 88.236 3.739 24.279 1.00 0.00 C ATOM 97 CG LYS A 7 89.422 4.613 23.852 1.00 0.00 C ATOM 98 CD LYS A 7 89.597 4.529 22.331 1.00 0.00 C ATOM 99 CE LYS A 7 90.780 5.400 21.894 1.00 0.00 C ATOM 100 NZ LYS A 7 92.020 4.916 22.560 1.00 0.00 N ATOM 0 H LYS A 7 89.777 2.648 25.945 1.00 0.00 H new ATOM 0 HA LYS A 7 87.991 4.910 26.067 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.423 2.700 24.009 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.336 4.049 23.749 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.253 5.647 24.153 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.331 4.280 24.352 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.766 3.494 22.032 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.686 4.860 21.832 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.896 5.359 20.811 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.596 6.442 22.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.851 5.242 22.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.063 5.291 23.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.014 3.876 22.591 1.00 0.00 H new ATOM 114 N ALA A 8 86.698 1.887 26.289 1.00 0.00 N ATOM 115 CA ALA A 8 85.448 1.156 26.651 1.00 0.00 C ATOM 116 C ALA A 8 85.061 1.436 28.107 1.00 0.00 C ATOM 117 O ALA A 8 83.915 1.302 28.485 1.00 0.00 O ATOM 118 CB ALA A 8 85.664 -0.347 26.455 1.00 0.00 C ATOM 0 H ALA A 8 87.517 1.296 26.150 1.00 0.00 H new ATOM 0 HA ALA A 8 84.640 1.500 26.006 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.752 -0.883 26.719 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.913 -0.546 25.413 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.481 -0.684 27.094 1.00 0.00 H new ATOM 124 N GLN A 9 86.003 1.806 28.935 1.00 0.00 N ATOM 125 CA GLN A 9 85.672 2.068 30.369 1.00 0.00 C ATOM 126 C GLN A 9 84.674 3.224 30.467 1.00 0.00 C ATOM 127 O GLN A 9 84.760 4.196 29.743 1.00 0.00 O ATOM 128 CB GLN A 9 86.950 2.422 31.138 1.00 0.00 C ATOM 129 CG GLN A 9 86.661 2.469 32.644 1.00 0.00 C ATOM 130 CD GLN A 9 85.933 3.769 32.988 1.00 0.00 C ATOM 131 OE1 GLN A 9 84.966 3.762 33.724 1.00 0.00 O ATOM 132 NE2 GLN A 9 86.356 4.891 32.477 1.00 0.00 N ATOM 0 H GLN A 9 86.983 1.938 28.683 1.00 0.00 H new ATOM 0 HA GLN A 9 85.227 1.173 30.803 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.725 1.684 30.931 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.331 3.387 30.802 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.053 1.612 32.934 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.593 2.403 33.205 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.168 4.896 31.859 1.00 0.00 H new ATOM 0 HE22 GLN A 9 85.875 5.764 32.695 1.00 0.00 H new ATOM 141 N GLU A 10 83.719 3.114 31.352 1.00 0.00 N ATOM 142 CA GLU A 10 82.701 4.191 31.497 1.00 0.00 C ATOM 143 C GLU A 10 81.879 3.947 32.768 1.00 0.00 C ATOM 144 O GLU A 10 81.815 2.846 33.275 1.00 0.00 O ATOM 145 CB GLU A 10 81.781 4.174 30.273 1.00 0.00 C ATOM 146 CG GLU A 10 80.778 5.324 30.359 1.00 0.00 C ATOM 147 CD GLU A 10 80.010 5.426 29.036 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.633 5.739 28.035 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.813 5.185 29.047 1.00 0.00 O ATOM 0 H GLU A 10 83.601 2.321 31.982 1.00 0.00 H new ATOM 0 HA GLU A 10 83.193 5.161 31.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.372 4.263 29.362 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.252 3.222 30.218 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.085 5.156 31.183 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.297 6.260 30.565 1.00 0.00 H new ATOM 156 N GLU A 11 81.257 4.970 33.289 1.00 0.00 N ATOM 157 CA GLU A 11 80.445 4.806 34.531 1.00 0.00 C ATOM 158 C GLU A 11 79.550 3.565 34.409 1.00 0.00 C ATOM 159 O GLU A 11 79.251 3.107 33.325 1.00 0.00 O ATOM 160 CB GLU A 11 79.583 6.055 34.733 1.00 0.00 C ATOM 161 CG GLU A 11 78.831 5.963 36.061 1.00 0.00 C ATOM 162 CD GLU A 11 78.133 7.294 36.340 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.769 8.320 36.173 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.972 7.264 36.717 1.00 0.00 O ATOM 0 H GLU A 11 81.276 5.916 32.907 1.00 0.00 H new ATOM 0 HA GLU A 11 81.107 4.677 35.388 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.211 6.946 34.722 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.874 6.155 33.911 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.099 5.156 36.022 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.524 5.726 36.869 1.00 0.00 H new ATOM 171 N HIS A 12 79.133 3.013 35.520 1.00 0.00 N ATOM 172 CA HIS A 12 78.269 1.795 35.484 1.00 0.00 C ATOM 173 C HIS A 12 76.908 2.144 34.883 1.00 0.00 C ATOM 174 O HIS A 12 75.895 2.119 35.552 1.00 0.00 O ATOM 175 CB HIS A 12 78.071 1.291 36.912 1.00 0.00 C ATOM 176 CG HIS A 12 77.149 0.103 36.925 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.591 -1.187 36.663 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.813 -0.010 37.217 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.537 -2.016 36.814 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.434 -1.348 37.151 1.00 0.00 N ATOM 0 H HIS A 12 79.355 3.356 36.455 1.00 0.00 H new ATOM 0 HA HIS A 12 78.745 1.026 34.875 1.00 0.00 H new ATOM 0 HB2 HIS A 12 79.033 1.017 37.345 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.658 2.087 37.531 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.539 -1.458 36.404 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.157 0.812 37.461 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.582 -3.087 36.679 1.00 0.00 H new ATOM 188 N GLU A 13 76.878 2.463 33.621 1.00 0.00 N ATOM 189 CA GLU A 13 75.585 2.812 32.965 1.00 0.00 C ATOM 190 C GLU A 13 74.843 1.535 32.559 1.00 0.00 C ATOM 191 O GLU A 13 75.160 0.447 32.996 1.00 0.00 O ATOM 192 CB GLU A 13 75.863 3.657 31.723 1.00 0.00 C ATOM 193 CG GLU A 13 76.369 5.039 32.145 1.00 0.00 C ATOM 194 CD GLU A 13 75.226 5.829 32.782 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.160 5.871 32.187 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.435 6.386 33.847 1.00 0.00 O ATOM 0 H GLU A 13 77.695 2.498 33.012 1.00 0.00 H new ATOM 0 HA GLU A 13 74.967 3.376 33.664 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.604 3.164 31.094 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.955 3.757 31.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.192 4.936 32.852 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.758 5.575 31.279 1.00 0.00 H new ATOM 203 N LYS A 14 73.852 1.672 31.722 1.00 0.00 N ATOM 204 CA LYS A 14 73.066 0.488 31.266 1.00 0.00 C ATOM 205 C LYS A 14 73.931 -0.381 30.349 1.00 0.00 C ATOM 206 O LYS A 14 73.752 -1.579 30.259 1.00 0.00 O ATOM 207 CB LYS A 14 71.832 0.976 30.506 1.00 0.00 C ATOM 208 CG LYS A 14 70.877 1.662 31.484 1.00 0.00 C ATOM 209 CD LYS A 14 69.639 2.155 30.734 1.00 0.00 C ATOM 210 CE LYS A 14 68.689 2.842 31.718 1.00 0.00 C ATOM 211 NZ LYS A 14 67.587 3.503 30.964 1.00 0.00 N ATOM 0 H LYS A 14 73.549 2.563 31.330 1.00 0.00 H new ATOM 0 HA LYS A 14 72.756 -0.105 32.126 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.126 1.670 29.719 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.334 0.137 30.021 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.585 0.966 32.270 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.378 2.500 31.969 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.930 2.850 29.947 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.136 1.318 30.250 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.280 2.111 32.415 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.232 3.579 32.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.941 3.970 31.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.986 4.211 30.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.064 2.790 30.418 1.00 0.00 H new ATOM 225 N TYR A 15 74.864 0.218 29.658 1.00 0.00 N ATOM 226 CA TYR A 15 75.738 -0.560 28.733 1.00 0.00 C ATOM 227 C TYR A 15 76.502 -1.629 29.520 1.00 0.00 C ATOM 228 O TYR A 15 76.773 -2.698 29.014 1.00 0.00 O ATOM 229 CB TYR A 15 76.735 0.384 28.050 1.00 0.00 C ATOM 230 CG TYR A 15 76.060 1.102 26.905 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.364 2.292 27.140 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.135 0.576 25.611 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.741 2.958 26.078 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.512 1.240 24.549 1.00 0.00 C ATOM 235 CZ TYR A 15 74.814 2.432 24.782 1.00 0.00 C ATOM 236 OH TYR A 15 74.201 3.091 23.735 1.00 0.00 O ATOM 0 H TYR A 15 75.059 1.218 29.695 1.00 0.00 H new ATOM 0 HA TYR A 15 75.119 -1.043 27.976 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.116 1.108 28.770 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.591 -0.181 27.682 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.307 2.697 28.140 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.674 -0.343 25.432 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.204 3.878 26.258 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.569 0.834 23.550 1.00 0.00 H new ATOM 0 HH TYR A 15 74.349 2.593 22.904 1.00 0.00 H new ATOM 246 N HIS A 16 76.862 -1.358 30.745 1.00 0.00 N ATOM 247 CA HIS A 16 77.611 -2.386 31.520 1.00 0.00 C ATOM 248 C HIS A 16 76.750 -3.648 31.629 1.00 0.00 C ATOM 249 O HIS A 16 77.241 -4.752 31.499 1.00 0.00 O ATOM 250 CB HIS A 16 77.924 -1.854 32.929 1.00 0.00 C ATOM 251 CG HIS A 16 79.182 -1.026 32.911 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.972 -0.863 34.043 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.813 -0.332 31.908 1.00 0.00 C ATOM 254 CE1 HIS A 16 81.025 -0.100 33.695 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.974 0.248 32.409 1.00 0.00 N ATOM 0 H HIS A 16 76.674 -0.484 31.236 1.00 0.00 H new ATOM 0 HA HIS A 16 78.548 -2.617 31.012 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.090 -1.252 33.291 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.040 -2.688 33.622 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.463 -0.249 30.890 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.813 0.194 34.373 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.646 0.820 31.899 1.00 0.00 H new ATOM 263 N SER A 17 75.472 -3.505 31.848 1.00 0.00 N ATOM 264 CA SER A 17 74.614 -4.716 31.938 1.00 0.00 C ATOM 265 C SER A 17 74.689 -5.459 30.605 1.00 0.00 C ATOM 266 O SER A 17 74.817 -6.666 30.559 1.00 0.00 O ATOM 267 CB SER A 17 73.168 -4.309 32.219 1.00 0.00 C ATOM 268 OG SER A 17 72.685 -3.518 31.142 1.00 0.00 O ATOM 0 H SER A 17 74.991 -2.613 31.967 1.00 0.00 H new ATOM 0 HA SER A 17 74.960 -5.359 32.748 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.546 -5.196 32.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.111 -3.748 33.152 1.00 0.00 H new ATOM 0 HG SER A 17 73.193 -2.681 31.097 1.00 0.00 H new ATOM 274 N ASN A 18 74.630 -4.738 29.514 1.00 0.00 N ATOM 275 CA ASN A 18 74.715 -5.388 28.171 1.00 0.00 C ATOM 276 C ASN A 18 76.163 -5.357 27.686 1.00 0.00 C ATOM 277 O ASN A 18 76.550 -4.508 26.909 1.00 0.00 O ATOM 278 CB ASN A 18 73.832 -4.625 27.184 1.00 0.00 C ATOM 279 CG ASN A 18 72.382 -4.675 27.665 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.846 -3.684 28.121 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.718 -5.796 27.583 1.00 0.00 N ATOM 0 H ASN A 18 74.526 -3.723 29.496 1.00 0.00 H new ATOM 0 HA ASN A 18 74.376 -6.421 28.241 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.166 -3.590 27.104 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.913 -5.064 26.190 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.750 -5.840 27.901 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.167 -6.628 27.200 1.00 0.00 H new ATOM 288 N TRP A 19 76.969 -6.275 28.139 1.00 0.00 N ATOM 289 CA TRP A 19 78.390 -6.295 27.705 1.00 0.00 C ATOM 290 C TRP A 19 78.477 -6.706 26.231 1.00 0.00 C ATOM 291 O TRP A 19 79.404 -6.344 25.534 1.00 0.00 O ATOM 292 CB TRP A 19 79.193 -7.263 28.577 1.00 0.00 C ATOM 293 CG TRP A 19 78.741 -8.670 28.351 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.880 -9.350 29.146 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.121 -9.582 27.285 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.711 -10.625 28.632 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.456 -10.814 27.485 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.971 -9.459 26.173 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.630 -11.888 26.612 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.149 -10.534 25.291 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.480 -11.749 25.509 1.00 0.00 C ATOM 0 H TRP A 19 76.704 -7.013 28.792 1.00 0.00 H new ATOM 0 HA TRP A 19 78.812 -5.296 27.817 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.255 -7.174 28.346 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.072 -7.000 29.628 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.404 -8.962 30.034 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.111 -11.336 29.049 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.491 -8.529 25.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.113 -12.820 26.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.804 -10.427 24.439 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.621 -12.574 24.827 1.00 0.00 H new ATOM 312 N ARG A 20 77.530 -7.468 25.750 1.00 0.00 N ATOM 313 CA ARG A 20 77.584 -7.901 24.323 1.00 0.00 C ATOM 314 C ARG A 20 77.548 -6.675 23.408 1.00 0.00 C ATOM 315 O ARG A 20 78.239 -6.615 22.409 1.00 0.00 O ATOM 316 CB ARG A 20 76.372 -8.785 24.008 1.00 0.00 C ATOM 317 CG ARG A 20 76.508 -10.132 24.726 1.00 0.00 C ATOM 318 CD ARG A 20 75.303 -11.012 24.392 1.00 0.00 C ATOM 319 NE ARG A 20 75.327 -11.346 22.940 1.00 0.00 N ATOM 320 CZ ARG A 20 74.580 -12.312 22.478 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.802 -12.981 23.284 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.610 -12.610 21.207 1.00 0.00 N ATOM 0 H ARG A 20 76.727 -7.807 26.279 1.00 0.00 H new ATOM 0 HA ARG A 20 78.506 -8.459 24.157 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.455 -8.286 24.323 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.296 -8.943 22.932 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.429 -10.628 24.420 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.571 -9.977 25.803 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.328 -11.925 24.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.378 -10.493 24.643 1.00 0.00 H new ATOM 0 HE ARG A 20 75.928 -10.819 22.306 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.777 -12.750 24.277 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.219 -13.735 22.921 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.217 -12.088 20.575 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.026 -13.365 20.846 1.00 0.00 H new ATOM 336 N ALA A 21 76.748 -5.698 23.738 1.00 0.00 N ATOM 337 CA ALA A 21 76.667 -4.478 22.883 1.00 0.00 C ATOM 338 C ALA A 21 78.027 -3.773 22.855 1.00 0.00 C ATOM 339 O ALA A 21 78.476 -3.317 21.824 1.00 0.00 O ATOM 340 CB ALA A 21 75.609 -3.526 23.451 1.00 0.00 C ATOM 0 H ALA A 21 76.147 -5.691 24.562 1.00 0.00 H new ATOM 0 HA ALA A 21 76.391 -4.767 21.869 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.549 -2.634 22.827 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.640 -4.025 23.464 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.884 -3.240 24.466 1.00 0.00 H new ATOM 346 N MET A 22 78.684 -3.678 23.981 1.00 0.00 N ATOM 347 CA MET A 22 80.011 -3.001 24.019 1.00 0.00 C ATOM 348 C MET A 22 81.002 -3.753 23.133 1.00 0.00 C ATOM 349 O MET A 22 81.780 -3.160 22.417 1.00 0.00 O ATOM 350 CB MET A 22 80.523 -2.980 25.461 1.00 0.00 C ATOM 351 CG MET A 22 81.887 -2.289 25.525 1.00 0.00 C ATOM 352 SD MET A 22 82.339 -1.999 27.259 1.00 0.00 S ATOM 353 CE MET A 22 82.289 -3.717 27.827 1.00 0.00 C ATOM 0 H MET A 22 78.357 -4.041 24.877 1.00 0.00 H new ATOM 0 HA MET A 22 79.909 -1.980 23.651 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.811 -2.457 26.100 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.604 -3.998 25.841 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.643 -2.907 25.040 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.853 -1.343 24.984 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.894 -3.820 28.728 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.259 -3.997 28.048 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.683 -4.369 27.048 1.00 0.00 H new ATOM 363 N ALA A 23 80.976 -5.054 23.167 1.00 0.00 N ATOM 364 CA ALA A 23 81.918 -5.831 22.316 1.00 0.00 C ATOM 365 C ALA A 23 81.618 -5.534 20.843 1.00 0.00 C ATOM 366 O ALA A 23 82.514 -5.393 20.032 1.00 0.00 O ATOM 367 CB ALA A 23 81.743 -7.326 22.599 1.00 0.00 C ATOM 0 H ALA A 23 80.347 -5.612 23.744 1.00 0.00 H new ATOM 0 HA ALA A 23 82.946 -5.547 22.539 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.432 -7.897 21.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.953 -7.524 23.650 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.719 -7.622 22.372 1.00 0.00 H new ATOM 373 N SER A 24 80.363 -5.437 20.494 1.00 0.00 N ATOM 374 CA SER A 24 80.001 -5.147 19.076 1.00 0.00 C ATOM 375 C SER A 24 80.405 -3.714 18.726 1.00 0.00 C ATOM 376 O SER A 24 80.887 -3.439 17.645 1.00 0.00 O ATOM 377 CB SER A 24 78.491 -5.296 18.889 1.00 0.00 C ATOM 378 OG SER A 24 78.171 -5.118 17.515 1.00 0.00 O ATOM 0 H SER A 24 79.573 -5.546 21.130 1.00 0.00 H new ATOM 0 HA SER A 24 80.523 -5.848 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.166 -6.280 19.226 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.963 -4.561 19.496 1.00 0.00 H new ATOM 0 HG SER A 24 77.204 -5.214 17.389 1.00 0.00 H new ATOM 384 N ASP A 25 80.203 -2.799 19.631 1.00 0.00 N ATOM 385 CA ASP A 25 80.564 -1.381 19.355 1.00 0.00 C ATOM 386 C ASP A 25 82.069 -1.263 19.096 1.00 0.00 C ATOM 387 O ASP A 25 82.501 -0.524 18.236 1.00 0.00 O ATOM 388 CB ASP A 25 80.179 -0.510 20.555 1.00 0.00 C ATOM 389 CG ASP A 25 78.657 -0.345 20.601 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.069 -0.161 19.548 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.104 -0.405 21.688 1.00 0.00 O ATOM 0 H ASP A 25 79.802 -2.972 20.553 1.00 0.00 H new ATOM 0 HA ASP A 25 80.024 -1.042 18.471 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.534 -0.968 21.478 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.659 0.466 20.478 1.00 0.00 H new ATOM 396 N PHE A 26 82.871 -1.981 19.844 1.00 0.00 N ATOM 397 CA PHE A 26 84.358 -1.909 19.654 1.00 0.00 C ATOM 398 C PHE A 26 84.853 -3.106 18.838 1.00 0.00 C ATOM 399 O PHE A 26 86.033 -3.260 18.602 1.00 0.00 O ATOM 400 CB PHE A 26 85.044 -1.912 21.019 1.00 0.00 C ATOM 401 CG PHE A 26 84.808 -0.585 21.701 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.571 -0.311 22.300 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.829 0.375 21.734 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.356 0.920 22.929 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.614 1.605 22.363 1.00 0.00 C ATOM 406 CZ PHE A 26 84.378 1.878 22.962 1.00 0.00 C ATOM 0 H PHE A 26 82.561 -2.616 20.580 1.00 0.00 H new ATOM 0 HA PHE A 26 84.599 -0.992 19.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.654 -2.724 21.633 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.113 -2.088 20.901 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.784 -1.050 22.276 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.783 0.164 21.273 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.402 1.132 23.389 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.401 2.344 22.387 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.212 2.827 23.450 1.00 0.00 H new ATOM 416 N ASN A 27 83.963 -3.950 18.396 1.00 0.00 N ATOM 417 CA ASN A 27 84.388 -5.128 17.584 1.00 0.00 C ATOM 418 C ASN A 27 85.475 -5.922 18.323 1.00 0.00 C ATOM 419 O ASN A 27 86.474 -6.302 17.744 1.00 0.00 O ATOM 420 CB ASN A 27 84.931 -4.645 16.237 1.00 0.00 C ATOM 421 CG ASN A 27 83.845 -3.860 15.497 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.061 -2.735 15.094 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.676 -4.411 15.300 1.00 0.00 N ATOM 0 H ASN A 27 82.959 -3.876 18.561 1.00 0.00 H new ATOM 0 HA ASN A 27 83.528 -5.778 17.423 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.807 -4.016 16.391 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.252 -5.496 15.636 1.00 0.00 H new ATOM 0 HD21 ASN A 27 81.946 -3.896 14.808 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.494 -5.356 15.638 1.00 0.00 H new ATOM 430 N LEU A 28 85.279 -6.187 19.593 1.00 0.00 N ATOM 431 CA LEU A 28 86.285 -6.975 20.386 1.00 0.00 C ATOM 432 C LEU A 28 85.604 -8.254 20.883 1.00 0.00 C ATOM 433 O LEU A 28 84.407 -8.271 21.082 1.00 0.00 O ATOM 434 CB LEU A 28 86.733 -6.154 21.603 1.00 0.00 C ATOM 435 CG LEU A 28 87.613 -4.970 21.160 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.631 -3.904 22.262 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.056 -5.440 20.902 1.00 0.00 C ATOM 0 H LEU A 28 84.459 -5.890 20.121 1.00 0.00 H new ATOM 0 HA LEU A 28 87.149 -7.211 19.765 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.860 -5.785 22.141 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.288 -6.789 22.293 1.00 0.00 H new ATOM 0 HG LEU A 28 87.199 -4.555 20.241 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.254 -3.066 21.948 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.616 -3.552 22.445 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.036 -4.334 23.178 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.665 -4.591 20.590 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.469 -5.866 21.816 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.058 -6.196 20.117 1.00 0.00 H new ATOM 449 N PRO A 29 86.341 -9.321 21.092 1.00 0.00 N ATOM 450 CA PRO A 29 85.742 -10.595 21.581 1.00 0.00 C ATOM 451 C PRO A 29 85.303 -10.472 23.051 1.00 0.00 C ATOM 452 O PRO A 29 85.892 -9.725 23.808 1.00 0.00 O ATOM 453 CB PRO A 29 86.878 -11.617 21.427 1.00 0.00 C ATOM 454 CG PRO A 29 88.134 -10.808 21.505 1.00 0.00 C ATOM 455 CD PRO A 29 87.800 -9.442 20.894 1.00 0.00 C ATOM 0 HA PRO A 29 84.845 -10.877 21.029 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.843 -12.369 22.215 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.807 -12.147 20.477 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.466 -10.702 22.538 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.944 -11.292 20.958 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.340 -8.637 21.392 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.066 -9.399 19.838 1.00 0.00 H new ATOM 463 N PRO A 30 84.286 -11.191 23.464 1.00 0.00 N ATOM 464 CA PRO A 30 83.802 -11.133 24.870 1.00 0.00 C ATOM 465 C PRO A 30 84.966 -11.120 25.876 1.00 0.00 C ATOM 466 O PRO A 30 84.801 -10.775 27.027 1.00 0.00 O ATOM 467 CB PRO A 30 82.971 -12.419 25.024 1.00 0.00 C ATOM 468 CG PRO A 30 82.509 -12.775 23.637 1.00 0.00 C ATOM 469 CD PRO A 30 83.490 -12.126 22.647 1.00 0.00 C ATOM 0 HA PRO A 30 83.234 -10.225 25.070 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.569 -13.222 25.455 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.123 -12.260 25.690 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.489 -13.857 23.505 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.495 -12.414 23.465 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.124 -12.874 22.171 1.00 0.00 H new ATOM 0 HD3 PRO A 30 82.960 -11.603 21.851 1.00 0.00 H new ATOM 477 N VAL A 31 86.134 -11.520 25.454 1.00 0.00 N ATOM 478 CA VAL A 31 87.292 -11.564 26.398 1.00 0.00 C ATOM 479 C VAL A 31 87.588 -10.173 26.966 1.00 0.00 C ATOM 480 O VAL A 31 87.685 -9.993 28.164 1.00 0.00 O ATOM 481 CB VAL A 31 88.524 -12.077 25.642 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.765 -11.983 26.536 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.293 -13.532 25.230 1.00 0.00 C ATOM 0 H VAL A 31 86.339 -11.818 24.500 1.00 0.00 H new ATOM 0 HA VAL A 31 87.048 -12.228 27.227 1.00 0.00 H new ATOM 0 HB VAL A 31 88.683 -11.466 24.754 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.635 -12.349 25.991 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.928 -10.944 26.824 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.616 -12.588 27.430 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.166 -13.901 24.692 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.131 -14.141 26.120 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.417 -13.593 24.584 1.00 0.00 H new ATOM 493 N VAL A 32 87.730 -9.189 26.129 1.00 0.00 N ATOM 494 CA VAL A 32 88.016 -7.823 26.651 1.00 0.00 C ATOM 495 C VAL A 32 86.777 -7.296 27.381 1.00 0.00 C ATOM 496 O VAL A 32 86.873 -6.668 28.416 1.00 0.00 O ATOM 497 CB VAL A 32 88.379 -6.894 25.488 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.431 -5.439 25.978 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.750 -7.295 24.935 1.00 0.00 C ATOM 0 H VAL A 32 87.662 -9.266 25.114 1.00 0.00 H new ATOM 0 HA VAL A 32 88.855 -7.860 27.346 1.00 0.00 H new ATOM 0 HB VAL A 32 87.624 -6.980 24.706 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.690 -4.784 25.146 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.457 -5.154 26.375 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.184 -5.345 26.761 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.015 -6.638 24.107 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.499 -7.207 25.722 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.713 -8.326 24.583 1.00 0.00 H new ATOM 509 N ALA A 33 85.618 -7.547 26.844 1.00 0.00 N ATOM 510 CA ALA A 33 84.373 -7.064 27.500 1.00 0.00 C ATOM 511 C ALA A 33 84.212 -7.736 28.868 1.00 0.00 C ATOM 512 O ALA A 33 83.827 -7.110 29.835 1.00 0.00 O ATOM 513 CB ALA A 33 83.171 -7.401 26.615 1.00 0.00 C ATOM 0 H ALA A 33 85.478 -8.067 25.978 1.00 0.00 H new ATOM 0 HA ALA A 33 84.432 -5.985 27.639 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.257 -7.048 27.093 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.285 -6.915 25.646 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.114 -8.480 26.475 1.00 0.00 H new ATOM 519 N LYS A 34 84.505 -9.006 28.961 1.00 0.00 N ATOM 520 CA LYS A 34 84.369 -9.708 30.270 1.00 0.00 C ATOM 521 C LYS A 34 85.302 -9.079 31.309 1.00 0.00 C ATOM 522 O LYS A 34 84.942 -8.932 32.461 1.00 0.00 O ATOM 523 CB LYS A 34 84.698 -11.199 30.096 1.00 0.00 C ATOM 524 CG LYS A 34 83.569 -11.907 29.315 1.00 0.00 C ATOM 525 CD LYS A 34 82.458 -12.367 30.270 1.00 0.00 C ATOM 526 CE LYS A 34 81.320 -12.996 29.460 1.00 0.00 C ATOM 527 NZ LYS A 34 80.198 -13.358 30.375 1.00 0.00 N ATOM 0 H LYS A 34 84.832 -9.586 28.189 1.00 0.00 H new ATOM 0 HA LYS A 34 83.342 -9.608 30.621 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.643 -11.311 29.565 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.824 -11.667 31.072 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.156 -11.229 28.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.973 -12.765 28.778 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.853 -13.089 30.984 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.085 -11.520 30.846 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.972 -12.297 28.699 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.678 -13.883 28.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.425 -13.785 29.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.535 -14.039 31.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.850 -12.503 30.854 1.00 0.00 H new ATOM 541 N GLU A 35 86.498 -8.721 30.930 1.00 0.00 N ATOM 542 CA GLU A 35 87.434 -8.121 31.924 1.00 0.00 C ATOM 543 C GLU A 35 86.826 -6.839 32.495 1.00 0.00 C ATOM 544 O GLU A 35 86.905 -6.583 33.681 1.00 0.00 O ATOM 545 CB GLU A 35 88.769 -7.793 31.245 1.00 0.00 C ATOM 546 CG GLU A 35 89.765 -7.255 32.285 1.00 0.00 C ATOM 547 CD GLU A 35 89.488 -5.775 32.582 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.736 -5.165 31.841 1.00 0.00 O ATOM 549 OE2 GLU A 35 90.042 -5.274 33.548 1.00 0.00 O ATOM 0 H GLU A 35 86.866 -8.816 29.984 1.00 0.00 H new ATOM 0 HA GLU A 35 87.603 -8.834 32.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.174 -8.686 30.768 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.615 -7.054 30.459 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.689 -7.836 33.204 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.784 -7.373 31.916 1.00 0.00 H new ATOM 556 N ILE A 36 86.212 -6.035 31.674 1.00 0.00 N ATOM 557 CA ILE A 36 85.600 -4.784 32.201 1.00 0.00 C ATOM 558 C ILE A 36 84.472 -5.162 33.164 1.00 0.00 C ATOM 559 O ILE A 36 84.299 -4.563 34.206 1.00 0.00 O ATOM 560 CB ILE A 36 85.042 -3.957 31.036 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.208 -3.397 30.213 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.200 -2.799 31.579 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.692 -2.877 28.870 1.00 0.00 C ATOM 0 H ILE A 36 86.108 -6.187 30.671 1.00 0.00 H new ATOM 0 HA ILE A 36 86.348 -4.190 32.726 1.00 0.00 H new ATOM 0 HB ILE A 36 84.417 -4.591 30.407 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.698 -2.592 30.761 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.956 -4.173 30.050 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.806 -2.215 30.748 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.373 -3.195 32.168 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.821 -2.162 32.208 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.525 -2.480 28.289 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.222 -3.693 28.320 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.961 -2.087 29.042 1.00 0.00 H new ATOM 575 N VAL A 37 83.714 -6.168 32.822 1.00 0.00 N ATOM 576 CA VAL A 37 82.606 -6.608 33.712 1.00 0.00 C ATOM 577 C VAL A 37 83.194 -7.164 35.010 1.00 0.00 C ATOM 578 O VAL A 37 82.701 -6.912 36.091 1.00 0.00 O ATOM 579 CB VAL A 37 81.799 -7.702 32.998 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.812 -8.351 33.976 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.026 -7.076 31.831 1.00 0.00 C ATOM 0 H VAL A 37 83.816 -6.705 31.961 1.00 0.00 H new ATOM 0 HA VAL A 37 81.954 -5.766 33.944 1.00 0.00 H new ATOM 0 HB VAL A 37 82.480 -8.466 32.624 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.245 -9.125 33.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.361 -8.796 34.806 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.128 -7.594 34.358 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.451 -7.848 31.320 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.349 -6.311 32.212 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.728 -6.623 31.131 1.00 0.00 H new ATOM 591 N ALA A 38 84.252 -7.916 34.907 1.00 0.00 N ATOM 592 CA ALA A 38 84.886 -8.490 36.126 1.00 0.00 C ATOM 593 C ALA A 38 85.553 -7.372 36.928 1.00 0.00 C ATOM 594 O ALA A 38 85.641 -7.428 38.138 1.00 0.00 O ATOM 595 CB ALA A 38 85.938 -9.516 35.716 1.00 0.00 C ATOM 0 H ALA A 38 84.708 -8.159 34.027 1.00 0.00 H new ATOM 0 HA ALA A 38 84.125 -8.973 36.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.403 -9.937 36.608 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.465 -10.313 35.143 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.699 -9.032 35.104 1.00 0.00 H new ATOM 601 N SER A 39 86.035 -6.361 36.260 1.00 0.00 N ATOM 602 CA SER A 39 86.709 -5.248 36.980 1.00 0.00 C ATOM 603 C SER A 39 85.665 -4.406 37.708 1.00 0.00 C ATOM 604 O SER A 39 85.893 -3.932 38.805 1.00 0.00 O ATOM 605 CB SER A 39 87.458 -4.371 35.976 1.00 0.00 C ATOM 606 OG SER A 39 88.551 -5.104 35.441 1.00 0.00 O ATOM 0 H SER A 39 85.991 -6.259 35.246 1.00 0.00 H new ATOM 0 HA SER A 39 87.414 -5.658 37.703 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.787 -4.059 35.176 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.816 -3.464 36.463 1.00 0.00 H new ATOM 0 HG SER A 39 89.009 -4.562 34.765 1.00 0.00 H new ATOM 612 N CYS A 40 84.521 -4.214 37.117 1.00 0.00 N ATOM 613 CA CYS A 40 83.471 -3.404 37.789 1.00 0.00 C ATOM 614 C CYS A 40 82.861 -4.230 38.925 1.00 0.00 C ATOM 615 O CYS A 40 82.189 -5.217 38.699 1.00 0.00 O ATOM 616 CB CYS A 40 82.389 -3.027 36.778 1.00 0.00 C ATOM 617 SG CYS A 40 81.308 -1.760 37.489 1.00 0.00 S ATOM 0 H CYS A 40 84.268 -4.582 36.200 1.00 0.00 H new ATOM 0 HA CYS A 40 83.907 -2.491 38.194 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.847 -2.656 35.861 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.806 -3.908 36.509 1.00 0.00 H new ATOM 0 HG CYS A 40 80.634 -1.182 36.539 1.00 0.00 H new ATOM 622 N ASP A 41 83.106 -3.836 40.146 1.00 0.00 N ATOM 623 CA ASP A 41 82.565 -4.592 41.311 1.00 0.00 C ATOM 624 C ASP A 41 81.038 -4.619 41.256 1.00 0.00 C ATOM 625 O ASP A 41 80.411 -5.614 41.566 1.00 0.00 O ATOM 626 CB ASP A 41 83.012 -3.911 42.610 1.00 0.00 C ATOM 627 CG ASP A 41 84.500 -4.183 42.848 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.924 -5.300 42.609 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.191 -3.266 43.264 1.00 0.00 O ATOM 0 H ASP A 41 83.662 -3.016 40.387 1.00 0.00 H new ATOM 0 HA ASP A 41 82.942 -5.614 41.279 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.834 -2.837 42.549 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.425 -4.285 43.449 1.00 0.00 H new ATOM 634 N LYS A 42 80.432 -3.531 40.882 1.00 0.00 N ATOM 635 CA LYS A 42 78.945 -3.486 40.824 1.00 0.00 C ATOM 636 C LYS A 42 78.417 -4.538 39.846 1.00 0.00 C ATOM 637 O LYS A 42 77.414 -5.176 40.094 1.00 0.00 O ATOM 638 CB LYS A 42 78.496 -2.093 40.378 1.00 0.00 C ATOM 639 CG LYS A 42 78.781 -1.087 41.495 1.00 0.00 C ATOM 640 CD LYS A 42 78.334 0.311 41.057 1.00 0.00 C ATOM 641 CE LYS A 42 78.620 1.311 42.179 1.00 0.00 C ATOM 642 NZ LYS A 42 77.753 0.999 43.351 1.00 0.00 N ATOM 0 H LYS A 42 80.902 -2.667 40.613 1.00 0.00 H new ATOM 0 HA LYS A 42 78.545 -3.700 41.815 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.022 -1.803 39.469 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.432 -2.100 40.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.255 -1.379 42.404 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.845 -1.082 41.730 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.861 0.606 40.149 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.270 0.307 40.821 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.670 1.262 42.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.431 2.327 41.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.684 1.836 43.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.804 0.734 43.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.165 0.209 43.888 1.00 0.00 H new ATOM 656 N CYS A 43 79.067 -4.721 38.730 1.00 0.00 N ATOM 657 CA CYS A 43 78.575 -5.734 37.748 1.00 0.00 C ATOM 658 C CYS A 43 78.907 -7.151 38.229 1.00 0.00 C ATOM 659 O CYS A 43 78.189 -8.094 37.958 1.00 0.00 O ATOM 660 CB CYS A 43 79.258 -5.530 36.399 1.00 0.00 C ATOM 661 SG CYS A 43 78.969 -3.849 35.805 1.00 0.00 S ATOM 0 H CYS A 43 79.911 -4.219 38.455 1.00 0.00 H new ATOM 0 HA CYS A 43 77.496 -5.612 37.654 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.329 -5.712 36.494 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.875 -6.250 35.676 1.00 0.00 H new ATOM 0 HG CYS A 43 79.783 -3.031 36.404 1.00 0.00 H new ATOM 666 N GLN A 44 80.011 -7.315 38.902 1.00 0.00 N ATOM 667 CA GLN A 44 80.414 -8.678 39.353 1.00 0.00 C ATOM 668 C GLN A 44 79.648 -9.086 40.613 1.00 0.00 C ATOM 669 O GLN A 44 78.806 -9.961 40.581 1.00 0.00 O ATOM 670 CB GLN A 44 81.919 -8.665 39.645 1.00 0.00 C ATOM 671 CG GLN A 44 82.384 -10.058 40.081 1.00 0.00 C ATOM 672 CD GLN A 44 83.896 -10.036 40.321 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.660 -9.347 39.516 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.385 -10.646 41.251 1.00 0.00 N ATOM 0 H GLN A 44 80.652 -6.565 39.160 1.00 0.00 H new ATOM 0 HA GLN A 44 80.182 -9.400 38.570 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.467 -8.352 38.756 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.139 -7.939 40.427 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.864 -10.359 40.991 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.137 -10.793 39.315 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.787 -11.184 41.879 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.393 -10.620 41.404 1.00 0.00 H new ATOM 844 N PHE B 1 94.130 -14.186 21.767 1.00 0.00 N ATOM 845 CA PHE B 1 92.973 -13.965 22.677 1.00 0.00 C ATOM 846 C PHE B 1 92.428 -15.316 23.145 1.00 0.00 C ATOM 847 O PHE B 1 92.787 -15.817 24.193 1.00 0.00 O ATOM 848 CB PHE B 1 91.866 -13.217 21.926 1.00 0.00 C ATOM 849 CG PHE B 1 92.265 -11.774 21.712 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.145 -11.434 20.679 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.742 -10.774 22.543 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.503 -10.094 20.475 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.102 -9.437 22.342 1.00 0.00 C ATOM 854 CZ PHE B 1 92.981 -9.095 21.308 1.00 0.00 C ATOM 0 H1 PHE B 1 94.255 -13.353 21.156 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.991 -14.335 22.330 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.953 -15.024 21.177 1.00 0.00 H new ATOM 0 HA PHE B 1 93.298 -13.378 23.536 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.680 -13.697 20.965 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.936 -13.265 22.492 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.549 -12.204 20.038 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.061 -11.036 23.339 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.181 -9.832 19.676 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.701 -8.668 22.986 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.257 -8.062 21.152 1.00 0.00 H new ATOM 866 N LEU B 2 91.551 -15.897 22.374 1.00 0.00 N ATOM 867 CA LEU B 2 90.956 -17.206 22.753 1.00 0.00 C ATOM 868 C LEU B 2 92.046 -18.276 22.855 1.00 0.00 C ATOM 869 O LEU B 2 92.026 -19.113 23.736 1.00 0.00 O ATOM 870 CB LEU B 2 89.948 -17.617 21.675 1.00 0.00 C ATOM 871 CG LEU B 2 88.836 -16.563 21.569 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.996 -16.838 20.318 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.926 -16.618 22.811 1.00 0.00 C ATOM 0 H LEU B 2 91.219 -15.515 21.488 1.00 0.00 H new ATOM 0 HA LEU B 2 90.463 -17.112 23.721 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.453 -17.723 20.715 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.518 -18.589 21.919 1.00 0.00 H new ATOM 0 HG LEU B 2 89.291 -15.575 21.505 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.205 -16.092 20.239 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.632 -16.787 19.434 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.552 -17.831 20.389 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.143 -15.865 22.722 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.473 -17.606 22.886 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.518 -16.421 23.705 1.00 0.00 H new ATOM 885 N ASP B 3 92.991 -18.264 21.956 1.00 0.00 N ATOM 886 CA ASP B 3 94.072 -19.291 21.996 1.00 0.00 C ATOM 887 C ASP B 3 94.918 -19.129 23.257 1.00 0.00 C ATOM 888 O ASP B 3 95.301 -20.097 23.885 1.00 0.00 O ATOM 889 CB ASP B 3 94.967 -19.122 20.770 1.00 0.00 C ATOM 890 CG ASP B 3 94.206 -19.542 19.512 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.385 -18.765 19.053 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.464 -20.630 19.027 1.00 0.00 O ATOM 0 H ASP B 3 93.062 -17.588 21.195 1.00 0.00 H new ATOM 0 HA ASP B 3 93.618 -20.282 22.000 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.288 -18.084 20.683 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.868 -19.726 20.880 1.00 0.00 H new ATOM 897 N GLY B 4 95.208 -17.920 23.638 1.00 0.00 N ATOM 898 CA GLY B 4 96.028 -17.710 24.866 1.00 0.00 C ATOM 899 C GLY B 4 95.265 -18.261 26.067 1.00 0.00 C ATOM 900 O GLY B 4 95.826 -18.864 26.960 1.00 0.00 O ATOM 0 H GLY B 4 94.916 -17.069 23.157 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.990 -18.212 24.768 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.235 -16.649 25.005 1.00 0.00 H new ATOM 904 N ILE B 5 93.982 -18.045 26.088 1.00 0.00 N ATOM 905 CA ILE B 5 93.150 -18.537 27.217 1.00 0.00 C ATOM 906 C ILE B 5 93.093 -20.068 27.201 1.00 0.00 C ATOM 907 O ILE B 5 93.130 -20.708 28.234 1.00 0.00 O ATOM 908 CB ILE B 5 91.737 -17.957 27.058 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.782 -16.450 27.332 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.776 -18.628 28.041 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.448 -15.812 26.938 1.00 0.00 C ATOM 0 H ILE B 5 93.469 -17.543 25.363 1.00 0.00 H new ATOM 0 HA ILE B 5 93.582 -18.221 28.167 1.00 0.00 H new ATOM 0 HB ILE B 5 91.384 -18.140 26.043 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.985 -16.269 28.388 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.595 -15.993 26.768 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.778 -18.208 27.918 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.745 -19.700 27.845 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.119 -18.455 29.061 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.485 -14.741 27.135 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.264 -15.980 25.877 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.644 -16.260 27.521 1.00 0.00 H new ATOM 923 N ASP B 6 92.981 -20.658 26.045 1.00 0.00 N ATOM 924 CA ASP B 6 92.900 -22.143 25.972 1.00 0.00 C ATOM 925 C ASP B 6 94.157 -22.777 26.572 1.00 0.00 C ATOM 926 O ASP B 6 94.080 -23.660 27.403 1.00 0.00 O ATOM 927 CB ASP B 6 92.760 -22.568 24.509 1.00 0.00 C ATOM 928 CG ASP B 6 92.662 -24.093 24.423 1.00 0.00 C ATOM 929 OD1 ASP B 6 93.654 -24.749 24.691 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.592 -24.577 24.090 1.00 0.00 O ATOM 0 H ASP B 6 92.942 -20.176 25.147 1.00 0.00 H new ATOM 0 HA ASP B 6 92.034 -22.480 26.541 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.873 -22.111 24.071 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.617 -22.216 23.934 1.00 0.00 H new ATOM 935 N LYS B 7 95.316 -22.338 26.166 1.00 0.00 N ATOM 936 CA LYS B 7 96.562 -22.933 26.730 1.00 0.00 C ATOM 937 C LYS B 7 96.687 -22.545 28.205 1.00 0.00 C ATOM 938 O LYS B 7 97.083 -23.338 29.039 1.00 0.00 O ATOM 939 CB LYS B 7 97.788 -22.420 25.964 1.00 0.00 C ATOM 940 CG LYS B 7 97.806 -23.014 24.553 1.00 0.00 C ATOM 941 CD LYS B 7 99.058 -22.525 23.811 1.00 0.00 C ATOM 942 CE LYS B 7 99.086 -23.113 22.396 1.00 0.00 C ATOM 943 NZ LYS B 7 97.879 -22.669 21.645 1.00 0.00 N ATOM 0 H LYS B 7 95.455 -21.601 25.475 1.00 0.00 H new ATOM 0 HA LYS B 7 96.512 -24.018 26.635 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.765 -21.332 25.910 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.700 -22.693 26.495 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.802 -24.103 24.605 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.909 -22.717 24.010 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.061 -21.436 23.762 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.954 -22.822 24.356 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.988 -22.792 21.876 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.116 -24.202 22.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.152 -22.396 20.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.190 -23.447 21.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.451 -21.853 22.127 1.00 0.00 H new ATOM 957 N ALA B 8 96.354 -21.328 28.530 1.00 0.00 N ATOM 958 CA ALA B 8 96.449 -20.868 29.946 1.00 0.00 C ATOM 959 C ALA B 8 95.373 -21.548 30.804 1.00 0.00 C ATOM 960 O ALA B 8 95.512 -21.661 32.005 1.00 0.00 O ATOM 961 CB ALA B 8 96.268 -19.351 30.001 1.00 0.00 C ATOM 0 H ALA B 8 96.017 -20.626 27.871 1.00 0.00 H new ATOM 0 HA ALA B 8 97.430 -21.136 30.339 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.337 -19.014 31.035 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.047 -18.870 29.409 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.291 -19.086 29.598 1.00 0.00 H new ATOM 967 N GLN B 9 94.297 -21.983 30.206 1.00 0.00 N ATOM 968 CA GLN B 9 93.217 -22.634 31.009 1.00 0.00 C ATOM 969 C GLN B 9 93.763 -23.893 31.685 1.00 0.00 C ATOM 970 O GLN B 9 94.534 -24.636 31.109 1.00 0.00 O ATOM 971 CB GLN B 9 92.045 -23.006 30.094 1.00 0.00 C ATOM 972 CG GLN B 9 90.848 -23.469 30.937 1.00 0.00 C ATOM 973 CD GLN B 9 91.089 -24.895 31.438 1.00 0.00 C ATOM 974 OE1 GLN B 9 90.852 -25.195 32.591 1.00 0.00 O ATOM 975 NE2 GLN B 9 91.558 -25.792 30.613 1.00 0.00 N ATOM 0 H GLN B 9 94.118 -21.918 29.204 1.00 0.00 H new ATOM 0 HA GLN B 9 92.870 -21.938 31.773 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.761 -22.148 29.485 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.345 -23.798 29.408 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.704 -22.796 31.782 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.936 -23.432 30.342 1.00 0.00 H new ATOM 0 HE21 GLN B 9 91.757 -25.540 29.645 1.00 0.00 H new ATOM 0 HE22 GLN B 9 91.725 -26.745 30.937 1.00 0.00 H new ATOM 984 N GLU B 10 93.376 -24.127 32.911 1.00 0.00 N ATOM 985 CA GLU B 10 93.878 -25.324 33.639 1.00 0.00 C ATOM 986 C GLU B 10 93.067 -25.509 34.928 1.00 0.00 C ATOM 987 O GLU B 10 92.451 -24.585 35.419 1.00 0.00 O ATOM 988 CB GLU B 10 95.357 -25.117 33.982 1.00 0.00 C ATOM 989 CG GLU B 10 95.912 -26.369 34.661 1.00 0.00 C ATOM 990 CD GLU B 10 97.429 -26.236 34.801 1.00 0.00 C ATOM 991 OE1 GLU B 10 98.100 -26.215 33.782 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.897 -26.160 35.926 1.00 0.00 O ATOM 0 H GLU B 10 92.732 -23.538 33.439 1.00 0.00 H new ATOM 0 HA GLU B 10 93.770 -26.212 33.016 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.923 -24.903 33.076 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.470 -24.255 34.640 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.454 -26.498 35.642 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.665 -27.254 34.075 1.00 0.00 H new ATOM 999 N GLU B 11 93.056 -26.696 35.472 1.00 0.00 N ATOM 1000 CA GLU B 11 92.278 -26.944 36.721 1.00 0.00 C ATOM 1001 C GLU B 11 92.559 -25.832 37.738 1.00 0.00 C ATOM 1002 O GLU B 11 93.567 -25.158 37.673 1.00 0.00 O ATOM 1003 CB GLU B 11 92.686 -28.300 37.304 1.00 0.00 C ATOM 1004 CG GLU B 11 91.820 -28.628 38.520 1.00 0.00 C ATOM 1005 CD GLU B 11 92.097 -30.065 38.967 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.139 -30.933 38.111 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.261 -30.273 40.159 1.00 0.00 O ATOM 0 H GLU B 11 93.554 -27.507 35.105 1.00 0.00 H new ATOM 0 HA GLU B 11 91.212 -26.951 36.494 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.576 -29.078 36.548 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.737 -28.280 37.591 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.037 -27.934 39.332 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.765 -28.509 38.272 1.00 0.00 H new ATOM 1014 N HIS B 12 91.664 -25.631 38.670 1.00 0.00 N ATOM 1015 CA HIS B 12 91.858 -24.557 39.690 1.00 0.00 C ATOM 1016 C HIS B 12 93.037 -24.911 40.594 1.00 0.00 C ATOM 1017 O HIS B 12 92.876 -25.177 41.768 1.00 0.00 O ATOM 1018 CB HIS B 12 90.591 -24.454 40.536 1.00 0.00 C ATOM 1019 CG HIS B 12 90.769 -23.427 41.620 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.583 -22.067 41.399 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.068 -23.551 42.955 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.760 -21.434 42.578 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.057 -22.295 43.553 1.00 0.00 N ATOM 0 H HIS B 12 90.802 -26.168 38.769 1.00 0.00 H new ATOM 0 HA HIS B 12 92.060 -23.608 39.193 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.745 -24.183 39.904 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.361 -25.423 40.978 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.354 -21.627 40.508 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.279 -24.481 43.462 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.672 -20.366 42.715 1.00 0.00 H new ATOM 1031 N GLU B 13 94.224 -24.912 40.056 1.00 0.00 N ATOM 1032 CA GLU B 13 95.420 -25.244 40.877 1.00 0.00 C ATOM 1033 C GLU B 13 95.879 -24.006 41.653 1.00 0.00 C ATOM 1034 O GLU B 13 95.166 -23.030 41.775 1.00 0.00 O ATOM 1035 CB GLU B 13 96.546 -25.710 39.959 1.00 0.00 C ATOM 1036 CG GLU B 13 96.198 -27.081 39.372 1.00 0.00 C ATOM 1037 CD GLU B 13 96.278 -28.143 40.470 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.271 -28.159 41.181 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.349 -28.926 40.582 1.00 0.00 O ATOM 0 H GLU B 13 94.418 -24.696 39.078 1.00 0.00 H new ATOM 0 HA GLU B 13 95.165 -26.035 41.582 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.697 -24.988 39.157 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.481 -25.768 40.515 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.196 -27.061 38.943 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.886 -27.327 38.563 1.00 0.00 H new ATOM 1046 N LYS B 14 97.071 -24.046 42.179 1.00 0.00 N ATOM 1047 CA LYS B 14 97.607 -22.890 42.955 1.00 0.00 C ATOM 1048 C LYS B 14 97.892 -21.722 42.007 1.00 0.00 C ATOM 1049 O LYS B 14 97.842 -20.572 42.392 1.00 0.00 O ATOM 1050 CB LYS B 14 98.899 -23.319 43.652 1.00 0.00 C ATOM 1051 CG LYS B 14 98.565 -24.334 44.747 1.00 0.00 C ATOM 1052 CD LYS B 14 99.849 -24.773 45.453 1.00 0.00 C ATOM 1053 CE LYS B 14 99.508 -25.789 46.546 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.766 -26.370 47.093 1.00 0.00 N ATOM 0 H LYS B 14 97.706 -24.841 42.104 1.00 0.00 H new ATOM 0 HA LYS B 14 96.876 -22.572 43.699 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.588 -23.758 42.930 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.399 -22.452 44.083 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.875 -23.893 45.467 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.063 -25.199 44.313 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.539 -25.214 44.734 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.351 -23.909 45.888 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.941 -25.306 47.342 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.877 -26.579 46.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.535 -27.060 47.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.290 -26.844 46.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.352 -25.611 47.496 1.00 0.00 H new ATOM 1068 N TYR B 15 98.202 -22.012 40.772 1.00 0.00 N ATOM 1069 CA TYR B 15 98.503 -20.927 39.794 1.00 0.00 C ATOM 1070 C TYR B 15 97.291 -20.003 39.656 1.00 0.00 C ATOM 1071 O TYR B 15 97.432 -18.813 39.451 1.00 0.00 O ATOM 1072 CB TYR B 15 98.837 -21.542 38.427 1.00 0.00 C ATOM 1073 CG TYR B 15 100.266 -22.031 38.421 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.568 -23.318 38.880 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.288 -21.196 37.954 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.890 -23.772 38.873 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.613 -21.649 37.948 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.914 -22.938 38.409 1.00 0.00 C ATOM 1079 OH TYR B 15 104.221 -23.389 38.399 1.00 0.00 O ATOM 0 H TYR B 15 98.260 -22.959 40.397 1.00 0.00 H new ATOM 0 HA TYR B 15 99.357 -20.351 40.151 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.159 -22.369 38.215 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.693 -20.802 37.640 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.779 -23.961 39.240 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.055 -20.203 37.599 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.121 -24.766 39.226 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.402 -21.006 37.588 1.00 0.00 H new ATOM 0 HH TYR B 15 104.807 -22.687 38.046 1.00 0.00 H new ATOM 1089 N HIS B 16 96.098 -20.524 39.757 1.00 0.00 N ATOM 1090 CA HIS B 16 94.910 -19.637 39.612 1.00 0.00 C ATOM 1091 C HIS B 16 94.964 -18.559 40.698 1.00 0.00 C ATOM 1092 O HIS B 16 94.676 -17.406 40.446 1.00 0.00 O ATOM 1093 CB HIS B 16 93.621 -20.462 39.776 1.00 0.00 C ATOM 1094 CG HIS B 16 93.233 -21.097 38.467 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.918 -21.438 38.173 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.966 -21.438 37.357 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.901 -21.955 36.929 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.123 -21.977 36.392 1.00 0.00 N ATOM 0 H HIS B 16 95.897 -21.509 39.931 1.00 0.00 H new ATOM 0 HA HIS B 16 94.915 -19.175 38.625 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.769 -21.233 40.532 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.814 -19.820 40.129 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.033 -21.308 37.250 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.011 -22.307 36.429 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.384 -22.318 35.467 1.00 0.00 H new ATOM 1106 N SER B 17 95.347 -18.908 41.894 1.00 0.00 N ATOM 1107 CA SER B 17 95.426 -17.870 42.957 1.00 0.00 C ATOM 1108 C SER B 17 96.444 -16.814 42.528 1.00 0.00 C ATOM 1109 O SER B 17 96.220 -15.626 42.655 1.00 0.00 O ATOM 1110 CB SER B 17 95.872 -18.507 44.273 1.00 0.00 C ATOM 1111 OG SER B 17 97.174 -19.054 44.112 1.00 0.00 O ATOM 0 H SER B 17 95.605 -19.853 42.179 1.00 0.00 H new ATOM 0 HA SER B 17 94.448 -17.412 43.102 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.874 -17.762 45.069 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.171 -19.288 44.569 1.00 0.00 H new ATOM 0 HG SER B 17 97.138 -19.806 43.485 1.00 0.00 H new ATOM 1117 N ASN B 18 97.563 -17.241 42.001 1.00 0.00 N ATOM 1118 CA ASN B 18 98.601 -16.272 41.540 1.00 0.00 C ATOM 1119 C ASN B 18 98.408 -16.000 40.049 1.00 0.00 C ATOM 1120 O ASN B 18 99.073 -16.579 39.210 1.00 0.00 O ATOM 1121 CB ASN B 18 99.988 -16.869 41.780 1.00 0.00 C ATOM 1122 CG ASN B 18 100.180 -17.100 43.278 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.188 -18.226 43.733 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.336 -16.073 44.069 1.00 0.00 N ATOM 0 H ASN B 18 97.803 -18.224 41.870 1.00 0.00 H new ATOM 0 HA ASN B 18 98.508 -15.338 42.093 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.092 -17.809 41.238 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.758 -16.196 41.401 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.465 -16.216 45.071 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.329 -15.128 43.685 1.00 0.00 H new ATOM 1131 N TRP B 19 97.505 -15.128 39.709 1.00 0.00 N ATOM 1132 CA TRP B 19 97.271 -14.824 38.272 1.00 0.00 C ATOM 1133 C TRP B 19 98.466 -14.057 37.701 1.00 0.00 C ATOM 1134 O TRP B 19 98.748 -14.125 36.521 1.00 0.00 O ATOM 1135 CB TRP B 19 95.984 -14.008 38.110 1.00 0.00 C ATOM 1136 CG TRP B 19 96.139 -12.658 38.727 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.697 -12.307 39.957 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.759 -11.470 38.161 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.004 -10.978 40.179 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.661 -10.418 39.099 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.391 -11.208 36.934 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.170 -9.149 38.828 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 97.908 -9.935 36.659 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.797 -8.906 37.604 1.00 0.00 C ATOM 0 H TRP B 19 96.918 -14.612 40.364 1.00 0.00 H new ATOM 0 HA TRP B 19 97.160 -15.759 37.723 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.743 -13.905 37.052 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.152 -14.534 38.577 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.188 -12.959 40.651 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.774 -10.472 41.034 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.479 -11.993 36.198 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.080 -8.359 39.559 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.395 -9.746 35.714 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.196 -7.926 37.386 1.00 0.00 H new ATOM 1155 N ARG B 20 99.167 -13.318 38.520 1.00 0.00 N ATOM 1156 CA ARG B 20 100.333 -12.544 38.000 1.00 0.00 C ATOM 1157 C ARG B 20 101.371 -13.504 37.409 1.00 0.00 C ATOM 1158 O ARG B 20 101.970 -13.235 36.387 1.00 0.00 O ATOM 1159 CB ARG B 20 100.982 -11.759 39.147 1.00 0.00 C ATOM 1160 CG ARG B 20 100.056 -10.628 39.590 1.00 0.00 C ATOM 1161 CD ARG B 20 100.714 -9.844 40.725 1.00 0.00 C ATOM 1162 NE ARG B 20 101.940 -9.170 40.208 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.511 -8.222 40.904 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.018 -7.869 42.059 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.577 -7.629 40.441 1.00 0.00 N ATOM 0 H ARG B 20 98.985 -13.217 39.519 1.00 0.00 H new ATOM 0 HA ARG B 20 99.986 -11.856 37.229 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.185 -12.425 39.986 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.940 -11.351 38.824 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.846 -9.965 38.750 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.101 -11.035 39.921 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.019 -9.105 41.124 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.971 -10.515 41.545 1.00 0.00 H new ATOM 0 HE ARG B 20 102.334 -9.449 39.309 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.185 -8.333 42.421 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.466 -7.129 42.600 1.00 0.00 H new ATOM 0 HH21 ARG B 20 103.963 -7.905 39.538 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.025 -6.889 40.982 1.00 0.00 H new ATOM 1179 N ALA B 21 101.592 -14.619 38.045 1.00 0.00 N ATOM 1180 CA ALA B 21 102.592 -15.592 37.518 1.00 0.00 C ATOM 1181 C ALA B 21 102.154 -16.095 36.139 1.00 0.00 C ATOM 1182 O ALA B 21 102.953 -16.224 35.233 1.00 0.00 O ATOM 1183 CB ALA B 21 102.707 -16.778 38.482 1.00 0.00 C ATOM 0 H ALA B 21 101.125 -14.900 38.907 1.00 0.00 H new ATOM 0 HA ALA B 21 103.560 -15.098 37.428 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.438 -17.490 38.098 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.028 -16.421 39.461 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.737 -17.267 38.574 1.00 0.00 H new ATOM 1189 N MET B 22 100.889 -16.383 35.973 1.00 0.00 N ATOM 1190 CA MET B 22 100.403 -16.882 34.654 1.00 0.00 C ATOM 1191 C MET B 22 100.626 -15.817 33.580 1.00 0.00 C ATOM 1192 O MET B 22 101.031 -16.113 32.474 1.00 0.00 O ATOM 1193 CB MET B 22 98.911 -17.199 34.760 1.00 0.00 C ATOM 1194 CG MET B 22 98.387 -17.712 33.414 1.00 0.00 C ATOM 1195 SD MET B 22 96.708 -18.365 33.629 1.00 0.00 S ATOM 1196 CE MET B 22 95.931 -16.863 34.276 1.00 0.00 C ATOM 0 H MET B 22 100.173 -16.294 36.694 1.00 0.00 H new ATOM 0 HA MET B 22 100.954 -17.782 34.380 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.744 -17.948 35.534 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.361 -16.306 35.057 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.384 -16.905 32.681 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.045 -18.491 33.028 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.859 -16.895 34.081 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.103 -16.798 35.350 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.363 -15.990 33.786 1.00 0.00 H new ATOM 1206 N ALA B 23 100.377 -14.579 33.895 1.00 0.00 N ATOM 1207 CA ALA B 23 100.589 -13.506 32.884 1.00 0.00 C ATOM 1208 C ALA B 23 102.074 -13.463 32.508 1.00 0.00 C ATOM 1209 O ALA B 23 102.432 -13.289 31.359 1.00 0.00 O ATOM 1210 CB ALA B 23 100.155 -12.158 33.469 1.00 0.00 C ATOM 0 H ALA B 23 100.038 -14.263 34.804 1.00 0.00 H new ATOM 0 HA ALA B 23 99.995 -13.711 31.993 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.310 -11.373 32.729 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.099 -12.201 33.737 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.746 -11.940 34.358 1.00 0.00 H new ATOM 1216 N SER B 24 102.943 -13.620 33.471 1.00 0.00 N ATOM 1217 CA SER B 24 104.406 -13.592 33.174 1.00 0.00 C ATOM 1218 C SER B 24 104.793 -14.832 32.368 1.00 0.00 C ATOM 1219 O SER B 24 105.588 -14.770 31.452 1.00 0.00 O ATOM 1220 CB SER B 24 105.196 -13.590 34.485 1.00 0.00 C ATOM 1221 OG SER B 24 106.578 -13.426 34.199 1.00 0.00 O ATOM 0 H SER B 24 102.703 -13.767 34.451 1.00 0.00 H new ATOM 0 HA SER B 24 104.634 -12.693 32.601 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.848 -12.784 35.131 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.032 -14.524 35.023 1.00 0.00 H new ATOM 0 HG SER B 24 107.087 -13.423 35.036 1.00 0.00 H new ATOM 1227 N ASP B 25 104.238 -15.962 32.707 1.00 0.00 N ATOM 1228 CA ASP B 25 104.576 -17.212 31.969 1.00 0.00 C ATOM 1229 C ASP B 25 104.174 -17.075 30.499 1.00 0.00 C ATOM 1230 O ASP B 25 104.880 -17.514 29.616 1.00 0.00 O ATOM 1231 CB ASP B 25 103.834 -18.393 32.600 1.00 0.00 C ATOM 1232 CG ASP B 25 104.478 -18.741 33.943 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.695 -18.692 34.026 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.745 -19.054 34.866 1.00 0.00 O ATOM 0 H ASP B 25 103.564 -16.075 33.464 1.00 0.00 H new ATOM 0 HA ASP B 25 105.651 -17.385 32.028 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.783 -18.142 32.743 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.868 -19.255 31.934 1.00 0.00 H new ATOM 1239 N PHE B 26 103.041 -16.475 30.231 1.00 0.00 N ATOM 1240 CA PHE B 26 102.579 -16.315 28.812 1.00 0.00 C ATOM 1241 C PHE B 26 102.881 -14.902 28.305 1.00 0.00 C ATOM 1242 O PHE B 26 102.554 -14.555 27.188 1.00 0.00 O ATOM 1243 CB PHE B 26 101.072 -16.564 28.739 1.00 0.00 C ATOM 1244 CG PHE B 26 100.795 -18.037 28.933 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.836 -18.597 30.216 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.495 -18.843 27.828 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.578 -19.962 30.393 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.237 -20.206 28.006 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.278 -20.767 29.288 1.00 0.00 C ATOM 0 H PHE B 26 102.412 -16.087 30.934 1.00 0.00 H new ATOM 0 HA PHE B 26 103.108 -17.035 28.188 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.559 -15.983 29.505 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.684 -16.234 27.775 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.067 -17.976 31.069 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.463 -18.412 26.838 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.611 -20.394 31.382 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.006 -20.827 27.153 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.078 -21.820 29.424 1.00 0.00 H new ATOM 1259 N ASN B 27 103.506 -14.087 29.107 1.00 0.00 N ATOM 1260 CA ASN B 27 103.836 -12.703 28.660 1.00 0.00 C ATOM 1261 C ASN B 27 102.575 -11.991 28.152 1.00 0.00 C ATOM 1262 O ASN B 27 102.589 -11.358 27.116 1.00 0.00 O ATOM 1263 CB ASN B 27 104.876 -12.762 27.536 1.00 0.00 C ATOM 1264 CG ASN B 27 106.141 -13.462 28.042 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.601 -14.413 27.442 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.724 -13.031 29.126 1.00 0.00 N ATOM 0 H ASN B 27 103.804 -14.319 30.055 1.00 0.00 H new ATOM 0 HA ASN B 27 104.239 -12.147 29.506 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.470 -13.299 26.679 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.117 -11.755 27.197 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.566 -13.492 29.470 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.338 -12.233 29.630 1.00 0.00 H new ATOM 1273 N LEU B 28 101.489 -12.078 28.884 1.00 0.00 N ATOM 1274 CA LEU B 28 100.215 -11.395 28.467 1.00 0.00 C ATOM 1275 C LEU B 28 99.847 -10.372 29.548 1.00 0.00 C ATOM 1276 O LEU B 28 100.186 -10.552 30.700 1.00 0.00 O ATOM 1277 CB LEU B 28 99.087 -12.431 28.370 1.00 0.00 C ATOM 1278 CG LEU B 28 99.304 -13.355 27.158 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.507 -14.651 27.348 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.826 -12.668 25.867 1.00 0.00 C ATOM 0 H LEU B 28 101.427 -12.597 29.760 1.00 0.00 H new ATOM 0 HA LEU B 28 100.350 -10.909 27.501 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.050 -13.024 29.284 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.126 -11.924 28.280 1.00 0.00 H new ATOM 0 HG LEU B 28 100.368 -13.576 27.079 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.663 -15.303 26.489 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.845 -15.156 28.253 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.446 -14.416 27.438 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.986 -13.334 25.019 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.764 -12.436 25.950 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.388 -11.747 25.716 1.00 0.00 H new ATOM 1292 N PRO B 29 99.162 -9.308 29.203 1.00 0.00 N ATOM 1293 CA PRO B 29 98.767 -8.278 30.205 1.00 0.00 C ATOM 1294 C PRO B 29 97.676 -8.813 31.153 1.00 0.00 C ATOM 1295 O PRO B 29 96.880 -9.647 30.766 1.00 0.00 O ATOM 1296 CB PRO B 29 98.238 -7.115 29.349 1.00 0.00 C ATOM 1297 CG PRO B 29 97.767 -7.758 28.082 1.00 0.00 C ATOM 1298 CD PRO B 29 98.686 -8.962 27.849 1.00 0.00 C ATOM 0 HA PRO B 29 99.594 -7.982 30.850 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.426 -6.591 29.852 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.019 -6.380 29.153 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.727 -8.073 28.168 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.821 -7.059 27.247 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.149 -9.792 27.389 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.514 -8.711 27.186 1.00 0.00 H new ATOM 1306 N PRO B 30 97.630 -8.349 32.380 1.00 0.00 N ATOM 1307 CA PRO B 30 96.606 -8.812 33.357 1.00 0.00 C ATOM 1308 C PRO B 30 95.217 -8.935 32.711 1.00 0.00 C ATOM 1309 O PRO B 30 94.328 -9.569 33.240 1.00 0.00 O ATOM 1310 CB PRO B 30 96.608 -7.715 34.436 1.00 0.00 C ATOM 1311 CG PRO B 30 97.974 -7.084 34.378 1.00 0.00 C ATOM 1312 CD PRO B 30 98.536 -7.345 32.969 1.00 0.00 C ATOM 0 HA PRO B 30 96.832 -9.803 33.751 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.828 -6.978 34.245 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.414 -8.136 35.422 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.912 -6.014 34.575 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.628 -7.511 35.138 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.553 -6.431 32.375 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.560 -7.715 33.014 1.00 0.00 H new ATOM 1320 N VAL B 31 95.016 -8.303 31.587 1.00 0.00 N ATOM 1321 CA VAL B 31 93.679 -8.353 30.933 1.00 0.00 C ATOM 1322 C VAL B 31 93.284 -9.789 30.600 1.00 0.00 C ATOM 1323 O VAL B 31 92.211 -10.238 30.946 1.00 0.00 O ATOM 1324 CB VAL B 31 93.722 -7.521 29.648 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.407 -7.678 28.876 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.942 -6.050 30.006 1.00 0.00 C ATOM 0 H VAL B 31 95.720 -7.754 31.094 1.00 0.00 H new ATOM 0 HA VAL B 31 92.937 -7.948 31.621 1.00 0.00 H new ATOM 0 HB VAL B 31 94.541 -7.870 29.019 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.447 -7.083 27.964 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.259 -8.727 28.619 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.578 -7.336 29.496 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.973 -5.454 29.094 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.125 -5.703 30.638 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.885 -5.943 30.542 1.00 0.00 H new ATOM 1336 N VAL B 32 94.133 -10.516 29.933 1.00 0.00 N ATOM 1337 CA VAL B 32 93.780 -11.919 29.590 1.00 0.00 C ATOM 1338 C VAL B 32 93.760 -12.759 30.868 1.00 0.00 C ATOM 1339 O VAL B 32 92.907 -13.605 31.055 1.00 0.00 O ATOM 1340 CB VAL B 32 94.815 -12.480 28.608 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.609 -13.990 28.440 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.645 -11.789 27.251 1.00 0.00 C ATOM 0 H VAL B 32 95.049 -10.203 29.612 1.00 0.00 H new ATOM 0 HA VAL B 32 92.795 -11.950 29.124 1.00 0.00 H new ATOM 0 HB VAL B 32 95.818 -12.297 28.994 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.348 -14.382 27.741 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.725 -14.483 29.405 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.607 -14.180 28.054 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.378 -12.183 26.547 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.641 -11.976 26.871 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.795 -10.716 27.368 1.00 0.00 H new ATOM 1352 N ALA B 33 94.693 -12.528 31.749 1.00 0.00 N ATOM 1353 CA ALA B 33 94.733 -13.307 33.015 1.00 0.00 C ATOM 1354 C ALA B 33 93.477 -13.019 33.842 1.00 0.00 C ATOM 1355 O ALA B 33 92.898 -13.907 34.435 1.00 0.00 O ATOM 1356 CB ALA B 33 95.981 -12.916 33.814 1.00 0.00 C ATOM 0 H ALA B 33 95.431 -11.831 31.645 1.00 0.00 H new ATOM 0 HA ALA B 33 94.769 -14.372 32.784 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.012 -13.486 34.743 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.872 -13.132 33.225 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.947 -11.851 34.043 1.00 0.00 H new ATOM 1362 N LYS B 34 93.048 -11.785 33.889 1.00 0.00 N ATOM 1363 CA LYS B 34 91.828 -11.453 34.679 1.00 0.00 C ATOM 1364 C LYS B 34 90.610 -12.197 34.118 1.00 0.00 C ATOM 1365 O LYS B 34 89.773 -12.671 34.860 1.00 0.00 O ATOM 1366 CB LYS B 34 91.585 -9.938 34.633 1.00 0.00 C ATOM 1367 CG LYS B 34 92.642 -9.200 35.483 1.00 0.00 C ATOM 1368 CD LYS B 34 92.197 -9.123 36.952 1.00 0.00 C ATOM 1369 CE LYS B 34 93.302 -8.463 37.786 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.921 -8.485 39.228 1.00 0.00 N ATOM 0 H LYS B 34 93.489 -10.996 33.416 1.00 0.00 H new ATOM 0 HA LYS B 34 91.978 -11.765 35.713 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.628 -9.587 33.602 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.586 -9.712 35.006 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.599 -9.718 35.414 1.00 0.00 H new ATOM 0 HG3 LYS B 34 92.795 -8.195 35.090 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.273 -8.550 37.034 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.987 -10.123 37.333 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.245 -8.990 37.641 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.456 -7.436 37.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.671 -8.037 39.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.031 -7.964 39.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.795 -9.469 39.539 1.00 0.00 H new ATOM 1384 N GLU B 35 90.492 -12.300 32.819 1.00 0.00 N ATOM 1385 CA GLU B 35 89.312 -13.010 32.243 1.00 0.00 C ATOM 1386 C GLU B 35 89.294 -14.457 32.737 1.00 0.00 C ATOM 1387 O GLU B 35 88.256 -14.987 33.083 1.00 0.00 O ATOM 1388 CB GLU B 35 89.392 -12.993 30.714 1.00 0.00 C ATOM 1389 CG GLU B 35 88.135 -13.649 30.115 1.00 0.00 C ATOM 1390 CD GLU B 35 88.259 -15.179 30.157 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.351 -15.665 30.401 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.255 -15.839 29.943 1.00 0.00 O ATOM 0 H GLU B 35 91.154 -11.927 32.139 1.00 0.00 H new ATOM 0 HA GLU B 35 88.400 -12.505 32.561 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.482 -11.967 30.358 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.284 -13.525 30.382 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.252 -13.334 30.671 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.999 -13.317 29.086 1.00 0.00 H new ATOM 1399 N ILE B 36 90.427 -15.104 32.785 1.00 0.00 N ATOM 1400 CA ILE B 36 90.444 -16.511 33.272 1.00 0.00 C ATOM 1401 C ILE B 36 90.016 -16.526 34.740 1.00 0.00 C ATOM 1402 O ILE B 36 89.274 -17.384 35.174 1.00 0.00 O ATOM 1403 CB ILE B 36 91.856 -17.084 33.130 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.170 -17.276 31.642 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.945 -18.438 33.845 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.669 -17.520 31.456 1.00 0.00 C ATOM 0 H ILE B 36 91.333 -14.723 32.511 1.00 0.00 H new ATOM 0 HA ILE B 36 89.757 -17.121 32.685 1.00 0.00 H new ATOM 0 HB ILE B 36 92.573 -16.396 33.577 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.603 -18.119 31.247 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.863 -16.394 31.079 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.953 -18.840 33.740 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.715 -18.307 34.902 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.230 -19.131 33.402 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.887 -17.656 30.397 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.227 -16.663 31.834 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.963 -18.415 32.004 1.00 0.00 H new ATOM 1418 N VAL B 37 90.468 -15.567 35.502 1.00 0.00 N ATOM 1419 CA VAL B 37 90.080 -15.504 36.939 1.00 0.00 C ATOM 1420 C VAL B 37 88.580 -15.223 37.046 1.00 0.00 C ATOM 1421 O VAL B 37 87.883 -15.793 37.860 1.00 0.00 O ATOM 1422 CB VAL B 37 90.869 -14.374 37.614 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.319 -14.115 39.019 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.344 -14.778 37.708 1.00 0.00 C ATOM 0 H VAL B 37 91.091 -14.822 35.189 1.00 0.00 H new ATOM 0 HA VAL B 37 90.302 -16.451 37.430 1.00 0.00 H new ATOM 0 HB VAL B 37 90.771 -13.463 37.023 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.886 -13.311 39.489 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.270 -13.828 38.952 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.409 -15.021 39.618 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.910 -13.979 38.187 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.434 -15.690 38.297 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.738 -14.952 36.707 1.00 0.00 H new ATOM 1434 N ALA B 38 88.083 -14.346 36.221 1.00 0.00 N ATOM 1435 CA ALA B 38 86.630 -14.019 36.258 1.00 0.00 C ATOM 1436 C ALA B 38 85.826 -15.211 35.741 1.00 0.00 C ATOM 1437 O ALA B 38 84.706 -15.444 36.152 1.00 0.00 O ATOM 1438 CB ALA B 38 86.359 -12.802 35.379 1.00 0.00 C ATOM 0 H ALA B 38 88.622 -13.839 35.519 1.00 0.00 H new ATOM 0 HA ALA B 38 86.334 -13.799 37.284 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.296 -12.563 35.406 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.932 -11.951 35.749 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.655 -13.021 34.353 1.00 0.00 H new ATOM 1444 N SER B 39 86.385 -15.957 34.830 1.00 0.00 N ATOM 1445 CA SER B 39 85.651 -17.123 34.270 1.00 0.00 C ATOM 1446 C SER B 39 85.603 -18.242 35.308 1.00 0.00 C ATOM 1447 O SER B 39 84.616 -18.940 35.438 1.00 0.00 O ATOM 1448 CB SER B 39 86.365 -17.623 33.014 1.00 0.00 C ATOM 1449 OG SER B 39 86.238 -16.652 31.982 1.00 0.00 O ATOM 0 H SER B 39 87.320 -15.809 34.449 1.00 0.00 H new ATOM 0 HA SER B 39 84.635 -16.822 34.013 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.418 -17.806 33.229 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.936 -18.572 32.691 1.00 0.00 H new ATOM 0 HG SER B 39 86.838 -16.881 31.242 1.00 0.00 H new ATOM 1455 N CYS B 40 86.656 -18.419 36.054 1.00 0.00 N ATOM 1456 CA CYS B 40 86.656 -19.493 37.084 1.00 0.00 C ATOM 1457 C CYS B 40 85.772 -19.056 38.256 1.00 0.00 C ATOM 1458 O CYS B 40 86.090 -18.136 38.982 1.00 0.00 O ATOM 1459 CB CYS B 40 88.085 -19.739 37.568 1.00 0.00 C ATOM 1460 SG CYS B 40 88.142 -21.272 38.527 1.00 0.00 S ATOM 0 H CYS B 40 87.513 -17.869 35.996 1.00 0.00 H new ATOM 0 HA CYS B 40 86.265 -20.417 36.658 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.762 -19.805 36.717 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.422 -18.902 38.180 1.00 0.00 H new ATOM 0 HG CYS B 40 89.374 -21.675 38.629 1.00 0.00 H new ATOM 1465 N ASP B 41 84.655 -19.706 38.429 1.00 0.00 N ATOM 1466 CA ASP B 41 83.726 -19.338 39.538 1.00 0.00 C ATOM 1467 C ASP B 41 84.430 -19.487 40.887 1.00 0.00 C ATOM 1468 O ASP B 41 84.254 -18.684 41.783 1.00 0.00 O ATOM 1469 CB ASP B 41 82.503 -20.260 39.502 1.00 0.00 C ATOM 1470 CG ASP B 41 81.600 -19.878 38.325 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.429 -18.693 38.095 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.093 -20.779 37.676 1.00 0.00 O ATOM 0 H ASP B 41 84.342 -20.482 37.846 1.00 0.00 H new ATOM 0 HA ASP B 41 83.414 -18.301 39.411 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.821 -21.298 39.406 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.949 -20.182 40.438 1.00 0.00 H new ATOM 1477 N LYS B 42 85.213 -20.513 41.045 1.00 0.00 N ATOM 1478 CA LYS B 42 85.915 -20.725 42.341 1.00 0.00 C ATOM 1479 C LYS B 42 86.824 -19.535 42.649 1.00 0.00 C ATOM 1480 O LYS B 42 86.928 -19.106 43.781 1.00 0.00 O ATOM 1481 CB LYS B 42 86.744 -22.009 42.264 1.00 0.00 C ATOM 1482 CG LYS B 42 85.807 -23.218 42.232 1.00 0.00 C ATOM 1483 CD LYS B 42 86.630 -24.506 42.155 1.00 0.00 C ATOM 1484 CE LYS B 42 85.688 -25.712 42.124 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.976 -25.815 43.428 1.00 0.00 N ATOM 0 H LYS B 42 85.399 -21.217 40.331 1.00 0.00 H new ATOM 0 HA LYS B 42 85.178 -20.816 43.139 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.371 -21.997 41.372 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.412 -22.076 43.123 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.180 -23.228 43.124 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.139 -23.150 41.373 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.256 -24.497 41.263 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.298 -24.575 43.013 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.969 -25.605 41.312 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.253 -26.624 41.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.595 -26.776 43.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.640 -25.613 44.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.196 -25.128 43.453 1.00 0.00 H new ATOM 1499 N CYS B 43 87.496 -19.001 41.666 1.00 0.00 N ATOM 1500 CA CYS B 43 88.401 -17.845 41.937 1.00 0.00 C ATOM 1501 C CYS B 43 87.587 -16.561 42.134 1.00 0.00 C ATOM 1502 O CYS B 43 87.975 -15.676 42.872 1.00 0.00 O ATOM 1503 CB CYS B 43 89.336 -17.623 40.752 1.00 0.00 C ATOM 1504 SG CYS B 43 90.283 -19.122 40.412 1.00 0.00 S ATOM 0 H CYS B 43 87.459 -19.311 40.695 1.00 0.00 H new ATOM 0 HA CYS B 43 88.971 -18.072 42.838 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.758 -17.342 39.872 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.014 -16.797 40.965 1.00 0.00 H new ATOM 0 HG CYS B 43 89.553 -19.950 39.726 1.00 0.00 H new ATOM 1509 N GLN B 44 86.484 -16.434 41.449 1.00 0.00 N ATOM 1510 CA GLN B 44 85.678 -15.186 41.561 1.00 0.00 C ATOM 1511 C GLN B 44 84.823 -15.199 42.830 1.00 0.00 C ATOM 1512 O GLN B 44 85.065 -14.449 43.756 1.00 0.00 O ATOM 1513 CB GLN B 44 84.769 -15.083 40.329 1.00 0.00 C ATOM 1514 CG GLN B 44 83.941 -13.797 40.389 1.00 0.00 C ATOM 1515 CD GLN B 44 83.077 -13.694 39.128 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.935 -13.283 39.191 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.581 -14.058 37.977 1.00 0.00 N ATOM 0 H GLN B 44 86.106 -17.140 40.817 1.00 0.00 H new ATOM 0 HA GLN B 44 86.349 -14.329 41.615 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.372 -15.094 39.421 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.108 -15.948 40.283 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.310 -13.798 41.278 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.598 -12.931 40.466 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.540 -14.403 37.926 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.015 -13.997 37.130 1.00 0.00 H new