USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 680 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= -0.354 K(o=-0.87,f=-2.4) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -0.513 F(o=-1.9,f=-0.87) USER MOD Set 2.1: B 12 CYS SG : rot 140:sc= 0 USER MOD Set 2.2: B 40 CYS SG : rot -146:sc= 0.269 USER MOD Set 2.3: B 43 CYS SG : rot 180:sc= 0.0368 USER MOD Set 3.1: A 12 CYS SG : rot 140:sc= 0 USER MOD Set 3.2: A 40 CYS SG : rot -146:sc= 0.26 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 0.0325 USER MOD Single : A 1 PHE N :NH3+ 140:sc= 1.02 (180deg=0.365) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0369 K(o=-0.037,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0501 (180deg=-0.473) USER MOD Single : A 15 TYR OH : rot -21:sc= -0.494 USER MOD Single : A 16 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.091) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 161:sc= -0.139 (180deg=-1.04) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0753 F(o=-0.85,f=-0.075) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 106:sc= 0.352 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 150:sc= 0.952 (180deg=0.443) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.0541 K(o=-0.054,f=-2!) USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= -0.065 (180deg=-0.513) USER MOD Single : B 15 TYR OH : rot -21:sc= -0.513 USER MOD Single : B 16 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.11) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0305 K(o=-0.031,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 160:sc= -0.153 (180deg=-1.06) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0781 F(o=-0.86,f=-0.078) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 108:sc= 0.354 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.415 -4.654 24.034 1.00 0.00 N ATOM 2 CA PHE A 1 95.215 -3.964 25.339 1.00 0.00 C ATOM 3 C PHE A 1 95.400 -2.461 25.146 1.00 0.00 C ATOM 4 O PHE A 1 96.504 -1.971 25.017 1.00 0.00 O ATOM 5 CB PHE A 1 96.229 -4.494 26.354 1.00 0.00 C ATOM 6 CG PHE A 1 96.373 -5.989 26.179 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.310 -6.834 26.514 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.562 -6.532 25.673 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.432 -8.219 26.348 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.686 -7.919 25.507 1.00 0.00 C ATOM 11 CZ PHE A 1 96.621 -8.761 25.845 1.00 0.00 C ATOM 0 H1 PHE A 1 95.945 -5.536 24.185 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.490 -4.874 23.612 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.950 -4.035 23.392 1.00 0.00 H new ATOM 0 HA PHE A 1 94.208 -4.156 25.710 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.193 -4.005 26.213 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.901 -4.264 27.368 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.392 -6.417 26.902 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.383 -5.882 25.411 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.609 -8.869 26.608 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.603 -8.337 25.119 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.716 -9.829 25.718 1.00 0.00 H new ATOM 23 N LEU A 2 94.317 -1.730 25.110 1.00 0.00 N ATOM 24 CA LEU A 2 94.399 -0.251 24.907 1.00 0.00 C ATOM 25 C LEU A 2 94.202 0.487 26.223 1.00 0.00 C ATOM 26 O LEU A 2 93.367 0.141 27.024 1.00 0.00 O ATOM 27 CB LEU A 2 93.319 0.186 23.915 1.00 0.00 C ATOM 28 CG LEU A 2 93.530 -0.518 22.567 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.382 -0.149 21.623 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.871 -0.080 21.945 1.00 0.00 C ATOM 0 H LEU A 2 93.371 -2.096 25.213 1.00 0.00 H new ATOM 0 HA LEU A 2 95.387 -0.008 24.516 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.332 -0.054 24.310 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.354 1.267 23.780 1.00 0.00 H new ATOM 0 HG LEU A 2 93.549 -1.597 22.723 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.526 -0.646 20.664 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.435 -0.469 22.059 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.366 0.931 21.474 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.011 -0.585 20.989 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.864 0.999 21.788 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.687 -0.343 22.618 1.00 0.00 H new ATOM 42 N ASP A 3 94.964 1.523 26.433 1.00 0.00 N ATOM 43 CA ASP A 3 94.821 2.314 27.682 1.00 0.00 C ATOM 44 C ASP A 3 93.395 2.858 27.732 1.00 0.00 C ATOM 45 O ASP A 3 92.759 2.879 28.767 1.00 0.00 O ATOM 46 CB ASP A 3 95.820 3.474 27.680 1.00 0.00 C ATOM 47 CG ASP A 3 95.697 4.256 28.988 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.720 4.050 29.691 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.583 5.047 29.268 1.00 0.00 O ATOM 0 H ASP A 3 95.682 1.856 25.790 1.00 0.00 H new ATOM 0 HA ASP A 3 95.020 1.689 28.552 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.835 3.093 27.566 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.629 4.131 26.832 1.00 0.00 H new ATOM 54 N GLY A 4 92.885 3.288 26.605 1.00 0.00 N ATOM 55 CA GLY A 4 91.490 3.820 26.564 1.00 0.00 C ATOM 56 C GLY A 4 90.558 2.850 27.292 1.00 0.00 C ATOM 57 O GLY A 4 89.428 3.172 27.602 1.00 0.00 O ATOM 0 H GLY A 4 93.376 3.293 25.711 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.449 4.803 27.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.167 3.947 25.531 1.00 0.00 H new ATOM 61 N ILE A 5 91.032 1.669 27.584 1.00 0.00 N ATOM 62 CA ILE A 5 90.191 0.681 28.311 1.00 0.00 C ATOM 63 C ILE A 5 89.797 1.288 29.660 1.00 0.00 C ATOM 64 O ILE A 5 88.726 1.037 30.176 1.00 0.00 O ATOM 65 CB ILE A 5 90.992 -0.619 28.504 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.007 -1.400 27.185 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.357 -1.481 29.603 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.029 -2.536 27.268 1.00 0.00 C ATOM 0 H ILE A 5 91.970 1.347 27.348 1.00 0.00 H new ATOM 0 HA ILE A 5 89.288 0.446 27.747 1.00 0.00 H new ATOM 0 HB ILE A 5 92.011 -0.369 28.801 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.016 -1.804 26.980 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.257 -0.733 26.360 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.935 -2.397 29.727 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.349 -0.927 30.541 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.334 -1.733 29.322 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.036 -3.088 26.328 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.020 -2.121 27.453 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.760 -3.209 28.082 1.00 0.00 H new ATOM 80 N ASP A 6 90.645 2.103 30.222 1.00 0.00 N ATOM 81 CA ASP A 6 90.306 2.744 31.522 1.00 0.00 C ATOM 82 C ASP A 6 89.037 3.574 31.337 1.00 0.00 C ATOM 83 O ASP A 6 88.167 3.597 32.183 1.00 0.00 O ATOM 84 CB ASP A 6 91.456 3.652 31.965 1.00 0.00 C ATOM 85 CG ASP A 6 92.653 2.796 32.384 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.432 1.682 32.829 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.769 3.269 32.253 1.00 0.00 O ATOM 0 H ASP A 6 91.556 2.352 29.838 1.00 0.00 H new ATOM 0 HA ASP A 6 90.146 1.981 32.284 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.740 4.319 31.151 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.137 4.281 32.796 1.00 0.00 H new ATOM 92 N LYS A 7 88.918 4.249 30.227 1.00 0.00 N ATOM 93 CA LYS A 7 87.698 5.066 29.980 1.00 0.00 C ATOM 94 C LYS A 7 86.493 4.128 29.883 1.00 0.00 C ATOM 95 O LYS A 7 85.413 4.436 30.346 1.00 0.00 O ATOM 96 CB LYS A 7 87.851 5.849 28.673 1.00 0.00 C ATOM 97 CG LYS A 7 86.608 6.716 28.456 1.00 0.00 C ATOM 98 CD LYS A 7 86.859 7.719 27.324 1.00 0.00 C ATOM 99 CE LYS A 7 86.950 6.987 25.981 1.00 0.00 C ATOM 100 NZ LYS A 7 86.785 7.971 24.873 1.00 0.00 N ATOM 0 H LYS A 7 89.613 4.270 29.481 1.00 0.00 H new ATOM 0 HA LYS A 7 87.555 5.773 30.797 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.743 6.475 28.712 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.980 5.162 27.837 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.753 6.086 28.211 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.360 7.247 29.375 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.054 8.453 27.293 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.782 8.267 27.511 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.912 6.481 25.894 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.179 6.219 25.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.846 7.478 23.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.857 8.434 24.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.536 8.688 24.931 1.00 0.00 H new ATOM 114 N ALA A 8 86.674 2.981 29.286 1.00 0.00 N ATOM 115 CA ALA A 8 85.547 2.016 29.159 1.00 0.00 C ATOM 116 C ALA A 8 85.038 1.647 30.554 1.00 0.00 C ATOM 117 O ALA A 8 83.856 1.456 30.762 1.00 0.00 O ATOM 118 CB ALA A 8 86.035 0.755 28.443 1.00 0.00 C ATOM 0 H ALA A 8 87.557 2.671 28.880 1.00 0.00 H new ATOM 0 HA ALA A 8 84.740 2.469 28.584 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.211 0.048 28.349 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.401 1.019 27.451 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.841 0.299 29.018 1.00 0.00 H new ATOM 124 N GLN A 9 85.917 1.548 31.516 1.00 0.00 N ATOM 125 CA GLN A 9 85.472 1.196 32.895 1.00 0.00 C ATOM 126 C GLN A 9 84.487 2.260 33.390 1.00 0.00 C ATOM 127 O GLN A 9 83.494 1.958 34.022 1.00 0.00 O ATOM 128 CB GLN A 9 86.690 1.165 33.826 1.00 0.00 C ATOM 129 CG GLN A 9 87.573 -0.037 33.487 1.00 0.00 C ATOM 130 CD GLN A 9 88.900 0.073 34.239 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.358 1.159 34.531 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.542 -1.015 34.566 1.00 0.00 N ATOM 0 H GLN A 9 86.920 1.695 31.407 1.00 0.00 H new ATOM 0 HA GLN A 9 84.989 0.219 32.889 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.261 2.088 33.723 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.364 1.106 34.864 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.065 -0.962 33.759 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.754 -0.076 32.413 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.157 -1.927 34.321 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.428 -0.953 35.067 1.00 0.00 H new ATOM 141 N GLU A 10 84.757 3.505 33.099 1.00 0.00 N ATOM 142 CA GLU A 10 83.846 4.601 33.539 1.00 0.00 C ATOM 143 C GLU A 10 82.456 4.404 32.926 1.00 0.00 C ATOM 144 O GLU A 10 81.447 4.640 33.560 1.00 0.00 O ATOM 145 CB GLU A 10 84.420 5.952 33.093 1.00 0.00 C ATOM 146 CG GLU A 10 83.531 7.098 33.597 1.00 0.00 C ATOM 147 CD GLU A 10 83.525 7.112 35.128 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.447 6.564 35.709 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.597 7.667 35.692 1.00 0.00 O ATOM 0 H GLU A 10 85.575 3.811 32.572 1.00 0.00 H new ATOM 0 HA GLU A 10 83.761 4.582 34.625 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.432 6.071 33.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.488 5.986 32.006 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.899 8.051 33.217 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.515 6.976 33.221 1.00 0.00 H new ATOM 156 N GLU A 11 82.398 3.996 31.686 1.00 0.00 N ATOM 157 CA GLU A 11 81.075 3.812 31.014 1.00 0.00 C ATOM 158 C GLU A 11 80.571 2.383 31.227 1.00 0.00 C ATOM 159 O GLU A 11 79.521 2.010 30.744 1.00 0.00 O ATOM 160 CB GLU A 11 81.230 4.071 29.514 1.00 0.00 C ATOM 161 CG GLU A 11 81.705 5.507 29.286 1.00 0.00 C ATOM 162 CD GLU A 11 80.592 6.483 29.675 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.523 6.394 29.092 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.826 7.299 30.550 1.00 0.00 O ATOM 0 H GLU A 11 83.210 3.781 31.107 1.00 0.00 H new ATOM 0 HA GLU A 11 80.358 4.513 31.442 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.945 3.369 29.086 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.279 3.907 29.007 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.599 5.704 29.878 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.978 5.649 28.240 1.00 0.00 H new ATOM 171 N CYS A 12 81.302 1.579 31.950 1.00 0.00 N ATOM 172 CA CYS A 12 80.844 0.179 32.190 1.00 0.00 C ATOM 173 C CYS A 12 79.386 0.202 32.658 1.00 0.00 C ATOM 174 O CYS A 12 78.560 -0.559 32.197 1.00 0.00 O ATOM 175 CB CYS A 12 81.710 -0.459 33.278 1.00 0.00 C ATOM 176 SG CYS A 12 81.252 -2.199 33.470 1.00 0.00 S ATOM 0 H CYS A 12 82.191 1.828 32.383 1.00 0.00 H new ATOM 0 HA CYS A 12 80.929 -0.398 31.269 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.764 -0.376 33.014 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.576 0.070 34.222 1.00 0.00 H new ATOM 0 HG CYS A 12 82.324 -2.913 33.644 1.00 0.00 H new ATOM 181 N GLU A 13 79.074 1.078 33.571 1.00 0.00 N ATOM 182 CA GLU A 13 77.679 1.175 34.085 1.00 0.00 C ATOM 183 C GLU A 13 76.730 1.527 32.933 1.00 0.00 C ATOM 184 O GLU A 13 75.626 1.026 32.849 1.00 0.00 O ATOM 185 CB GLU A 13 77.617 2.263 35.156 1.00 0.00 C ATOM 186 CG GLU A 13 78.426 1.815 36.375 1.00 0.00 C ATOM 187 CD GLU A 13 78.424 2.924 37.428 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.713 3.897 37.234 1.00 0.00 O ATOM 189 OE2 GLU A 13 79.137 2.785 38.407 1.00 0.00 O ATOM 0 H GLU A 13 79.732 1.737 33.987 1.00 0.00 H new ATOM 0 HA GLU A 13 77.377 0.220 34.516 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.015 3.199 34.764 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.582 2.451 35.441 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.999 0.903 36.792 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.449 1.582 36.080 1.00 0.00 H new ATOM 196 N LYS A 14 77.152 2.394 32.051 1.00 0.00 N ATOM 197 CA LYS A 14 76.278 2.792 30.908 1.00 0.00 C ATOM 198 C LYS A 14 75.940 1.556 30.073 1.00 0.00 C ATOM 199 O LYS A 14 74.827 1.397 29.608 1.00 0.00 O ATOM 200 CB LYS A 14 77.014 3.816 30.035 1.00 0.00 C ATOM 201 CG LYS A 14 76.109 4.267 28.882 1.00 0.00 C ATOM 202 CD LYS A 14 76.857 5.289 28.022 1.00 0.00 C ATOM 203 CE LYS A 14 75.996 5.679 26.817 1.00 0.00 C ATOM 204 NZ LYS A 14 74.704 6.251 27.288 1.00 0.00 N ATOM 0 H LYS A 14 78.067 2.845 32.073 1.00 0.00 H new ATOM 0 HA LYS A 14 75.358 3.236 31.289 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.306 4.676 30.637 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.930 3.378 29.639 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.817 3.409 28.276 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.192 4.707 29.275 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.093 6.173 28.614 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.805 4.870 27.684 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.524 6.407 26.201 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.812 4.806 26.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.250 6.771 26.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.078 5.482 27.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.880 6.900 28.081 1.00 0.00 H new ATOM 218 N TYR A 15 76.886 0.681 29.872 1.00 0.00 N ATOM 219 CA TYR A 15 76.612 -0.538 29.060 1.00 0.00 C ATOM 220 C TYR A 15 75.985 -1.614 29.949 1.00 0.00 C ATOM 221 O TYR A 15 75.464 -2.597 29.468 1.00 0.00 O ATOM 222 CB TYR A 15 77.921 -1.063 28.469 1.00 0.00 C ATOM 223 CG TYR A 15 78.411 -0.110 27.406 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.865 -0.162 26.119 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.406 0.828 27.706 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.315 0.720 25.130 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.857 1.712 26.718 1.00 0.00 C ATOM 228 CZ TYR A 15 79.311 1.658 25.430 1.00 0.00 C ATOM 229 OH TYR A 15 79.754 2.528 24.454 1.00 0.00 O ATOM 0 H TYR A 15 77.836 0.757 30.235 1.00 0.00 H new ATOM 0 HA TYR A 15 75.924 -0.288 28.252 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.671 -1.167 29.253 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.768 -2.054 28.042 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.095 -0.884 25.888 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.826 0.870 28.700 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.895 0.677 24.136 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.625 2.435 26.949 1.00 0.00 H new ATOM 0 HH TYR A 15 79.543 2.162 23.570 1.00 0.00 H new ATOM 239 N HIS A 16 76.027 -1.430 31.242 1.00 0.00 N ATOM 240 CA HIS A 16 75.421 -2.435 32.162 1.00 0.00 C ATOM 241 C HIS A 16 76.056 -3.805 31.922 1.00 0.00 C ATOM 242 O HIS A 16 77.255 -3.926 31.764 1.00 0.00 O ATOM 243 CB HIS A 16 73.908 -2.514 31.928 1.00 0.00 C ATOM 244 CG HIS A 16 73.312 -1.140 32.052 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.095 -0.537 33.283 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.888 -0.233 31.111 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.565 0.679 33.053 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.419 0.910 31.746 1.00 0.00 N ATOM 0 H HIS A 16 76.455 -0.626 31.701 1.00 0.00 H new ATOM 0 HA HIS A 16 75.605 -2.131 33.192 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.703 -2.924 30.939 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.451 -3.187 32.653 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.915 -0.385 30.042 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.292 1.380 33.828 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.042 1.750 31.306 1.00 0.00 H new ATOM 257 N SER A 17 75.260 -4.838 31.898 1.00 0.00 N ATOM 258 CA SER A 17 75.808 -6.206 31.675 1.00 0.00 C ATOM 259 C SER A 17 75.978 -6.454 30.175 1.00 0.00 C ATOM 260 O SER A 17 76.460 -7.489 29.762 1.00 0.00 O ATOM 261 CB SER A 17 74.839 -7.239 32.248 1.00 0.00 C ATOM 262 OG SER A 17 74.676 -7.010 33.641 1.00 0.00 O ATOM 0 H SER A 17 74.249 -4.793 32.024 1.00 0.00 H new ATOM 0 HA SER A 17 76.775 -6.292 32.170 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.876 -7.171 31.742 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.219 -8.246 32.076 1.00 0.00 H new ATOM 0 HG SER A 17 74.053 -7.670 34.010 1.00 0.00 H new ATOM 268 N ASN A 18 75.580 -5.520 29.353 1.00 0.00 N ATOM 269 CA ASN A 18 75.717 -5.725 27.883 1.00 0.00 C ATOM 270 C ASN A 18 77.158 -5.439 27.468 1.00 0.00 C ATOM 271 O ASN A 18 77.461 -4.405 26.905 1.00 0.00 O ATOM 272 CB ASN A 18 74.782 -4.770 27.141 1.00 0.00 C ATOM 273 CG ASN A 18 73.333 -5.197 27.367 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.066 -6.338 27.690 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.379 -4.321 27.213 1.00 0.00 N ATOM 0 H ASN A 18 75.169 -4.630 29.634 1.00 0.00 H new ATOM 0 HA ASN A 18 75.457 -6.754 27.635 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.931 -3.750 27.495 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.012 -4.774 26.075 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.408 -4.593 27.364 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.604 -3.364 26.942 1.00 0.00 H new ATOM 282 N TRP A 19 78.047 -6.351 27.737 1.00 0.00 N ATOM 283 CA TRP A 19 79.467 -6.142 27.357 1.00 0.00 C ATOM 284 C TRP A 19 79.606 -6.213 25.835 1.00 0.00 C ATOM 285 O TRP A 19 80.512 -5.646 25.257 1.00 0.00 O ATOM 286 CB TRP A 19 80.333 -7.221 28.014 1.00 0.00 C ATOM 287 CG TRP A 19 79.893 -8.575 27.557 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.999 -9.359 28.201 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.309 -9.316 26.373 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.845 -10.537 27.493 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.630 -10.557 26.357 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.200 -9.033 25.324 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.830 -11.486 25.336 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.403 -9.966 24.293 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.719 -11.190 24.300 1.00 0.00 C ATOM 0 H TRP A 19 77.849 -7.235 28.206 1.00 0.00 H new ATOM 0 HA TRP A 19 79.797 -5.161 27.698 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.381 -7.064 27.758 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.256 -7.151 29.099 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.489 -9.106 29.119 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.227 -11.298 27.775 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.732 -8.093 25.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.301 -12.428 25.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.090 -9.739 23.491 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.879 -11.903 23.505 1.00 0.00 H new ATOM 306 N ARG A 20 78.719 -6.913 25.181 1.00 0.00 N ATOM 307 CA ARG A 20 78.803 -7.024 23.696 1.00 0.00 C ATOM 308 C ARG A 20 78.671 -5.639 23.066 1.00 0.00 C ATOM 309 O ARG A 20 79.349 -5.311 22.111 1.00 0.00 O ATOM 310 CB ARG A 20 77.662 -7.909 23.192 1.00 0.00 C ATOM 311 CG ARG A 20 77.910 -9.353 23.627 1.00 0.00 C ATOM 312 CD ARG A 20 76.773 -10.245 23.126 1.00 0.00 C ATOM 313 NE ARG A 20 76.966 -11.627 23.645 1.00 0.00 N ATOM 314 CZ ARG A 20 75.982 -12.483 23.614 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.824 -12.130 23.127 1.00 0.00 N ATOM 316 NH2 ARG A 20 76.158 -13.692 24.073 1.00 0.00 N ATOM 0 H ARG A 20 77.940 -7.413 25.610 1.00 0.00 H new ATOM 0 HA ARG A 20 79.764 -7.459 23.422 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.710 -7.556 23.590 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.595 -7.851 22.106 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.862 -9.704 23.230 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.977 -9.409 24.713 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.813 -9.850 23.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.755 -10.253 22.036 1.00 0.00 H new ATOM 0 HE ARG A 20 77.870 -11.905 24.026 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.688 -11.184 22.770 1.00 0.00 H new ATOM 0 HH12 ARG A 20 74.055 -12.800 23.103 1.00 0.00 H new ATOM 0 HH21 ARG A 20 77.063 -13.966 24.455 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.390 -14.363 24.050 1.00 0.00 H new ATOM 330 N ALA A 21 77.799 -4.823 23.588 1.00 0.00 N ATOM 331 CA ALA A 21 77.617 -3.461 23.017 1.00 0.00 C ATOM 332 C ALA A 21 78.889 -2.642 23.240 1.00 0.00 C ATOM 333 O ALA A 21 79.367 -1.966 22.350 1.00 0.00 O ATOM 334 CB ALA A 21 76.436 -2.775 23.707 1.00 0.00 C ATOM 0 H ALA A 21 77.204 -5.041 24.387 1.00 0.00 H new ATOM 0 HA ALA A 21 77.418 -3.536 21.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.301 -1.777 23.290 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.531 -3.361 23.547 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.634 -2.698 24.776 1.00 0.00 H new ATOM 340 N MET A 22 79.447 -2.700 24.418 1.00 0.00 N ATOM 341 CA MET A 22 80.692 -1.929 24.687 1.00 0.00 C ATOM 342 C MET A 22 81.804 -2.432 23.766 1.00 0.00 C ATOM 343 O MET A 22 82.559 -1.662 23.208 1.00 0.00 O ATOM 344 CB MET A 22 81.103 -2.117 26.151 1.00 0.00 C ATOM 345 CG MET A 22 82.361 -1.295 26.439 1.00 0.00 C ATOM 346 SD MET A 22 82.619 -1.187 28.228 1.00 0.00 S ATOM 347 CE MET A 22 82.772 -2.961 28.553 1.00 0.00 C ATOM 0 H MET A 22 79.095 -3.247 25.204 1.00 0.00 H new ATOM 0 HA MET A 22 80.518 -0.870 24.499 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.293 -1.804 26.810 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.290 -3.171 26.354 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.226 -1.757 25.964 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.260 -0.296 26.015 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.262 -3.114 29.515 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.781 -3.414 28.575 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.366 -3.425 27.766 1.00 0.00 H new ATOM 357 N ALA A 23 81.903 -3.719 23.591 1.00 0.00 N ATOM 358 CA ALA A 23 82.960 -4.271 22.700 1.00 0.00 C ATOM 359 C ALA A 23 82.800 -3.673 21.299 1.00 0.00 C ATOM 360 O ALA A 23 83.764 -3.349 20.634 1.00 0.00 O ATOM 361 CB ALA A 23 82.807 -5.790 22.621 1.00 0.00 C ATOM 0 H ALA A 23 81.297 -4.414 24.027 1.00 0.00 H new ATOM 0 HA ALA A 23 83.944 -4.021 23.096 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.579 -6.200 21.970 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.909 -6.218 23.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.824 -6.036 22.219 1.00 0.00 H new ATOM 367 N SER A 24 81.584 -3.532 20.849 1.00 0.00 N ATOM 368 CA SER A 24 81.339 -2.965 19.493 1.00 0.00 C ATOM 369 C SER A 24 81.776 -1.499 19.447 1.00 0.00 C ATOM 370 O SER A 24 82.310 -1.031 18.460 1.00 0.00 O ATOM 371 CB SER A 24 79.847 -3.058 19.170 1.00 0.00 C ATOM 372 OG SER A 24 79.610 -2.518 17.878 1.00 0.00 O ATOM 0 H SER A 24 80.743 -3.787 21.367 1.00 0.00 H new ATOM 0 HA SER A 24 81.915 -3.531 18.760 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.519 -4.097 19.208 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.267 -2.514 19.916 1.00 0.00 H new ATOM 0 HG SER A 24 78.655 -2.578 17.669 1.00 0.00 H new ATOM 378 N ASP A 25 81.539 -0.765 20.498 1.00 0.00 N ATOM 379 CA ASP A 25 81.926 0.676 20.503 1.00 0.00 C ATOM 380 C ASP A 25 83.445 0.800 20.538 1.00 0.00 C ATOM 381 O ASP A 25 84.032 1.594 19.830 1.00 0.00 O ATOM 382 CB ASP A 25 81.348 1.340 21.750 1.00 0.00 C ATOM 383 CG ASP A 25 81.517 2.858 21.645 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.319 3.290 20.833 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.842 3.561 22.379 1.00 0.00 O ATOM 0 H ASP A 25 81.095 -1.099 21.353 1.00 0.00 H new ATOM 0 HA ASP A 25 81.541 1.159 19.605 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.293 1.087 21.854 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.854 0.968 22.641 1.00 0.00 H new ATOM 390 N PHE A 26 84.089 0.019 21.357 1.00 0.00 N ATOM 391 CA PHE A 26 85.581 0.084 21.442 1.00 0.00 C ATOM 392 C PHE A 26 86.189 -0.924 20.462 1.00 0.00 C ATOM 393 O PHE A 26 87.391 -1.032 20.332 1.00 0.00 O ATOM 394 CB PHE A 26 86.030 -0.240 22.868 1.00 0.00 C ATOM 395 CG PHE A 26 85.642 0.895 23.792 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.377 0.914 24.392 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.554 1.928 24.053 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.022 1.963 25.249 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.198 2.976 24.909 1.00 0.00 C ATOM 400 CZ PHE A 26 84.932 2.993 25.507 1.00 0.00 C ATOM 0 H PHE A 26 83.650 -0.664 21.974 1.00 0.00 H new ATOM 0 HA PHE A 26 85.918 1.088 21.183 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.569 -1.169 23.203 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.109 -0.392 22.895 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.674 0.118 24.194 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.531 1.915 23.593 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.046 1.977 25.711 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.900 3.772 25.109 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.658 3.802 26.168 1.00 0.00 H new ATOM 410 N ASN A 27 85.363 -1.651 19.759 1.00 0.00 N ATOM 411 CA ASN A 27 85.883 -2.637 18.768 1.00 0.00 C ATOM 412 C ASN A 27 86.924 -3.547 19.427 1.00 0.00 C ATOM 413 O ASN A 27 88.008 -3.733 18.908 1.00 0.00 O ATOM 414 CB ASN A 27 86.533 -1.885 17.606 1.00 0.00 C ATOM 415 CG ASN A 27 85.497 -0.977 16.941 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.309 -1.447 16.673 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.770 0.175 16.664 1.00 0.00 N flip ATOM 0 H ASN A 27 84.346 -1.604 19.829 1.00 0.00 H new ATOM 0 HA ASN A 27 85.057 -3.247 18.402 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.373 -1.292 17.968 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.932 -2.592 16.879 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.698 0.544 16.873 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.071 0.773 16.223 1.00 0.00 H new ATOM 424 N LEU A 28 86.603 -4.117 20.563 1.00 0.00 N ATOM 425 CA LEU A 28 87.569 -5.024 21.272 1.00 0.00 C ATOM 426 C LEU A 28 86.951 -6.424 21.402 1.00 0.00 C ATOM 427 O LEU A 28 85.748 -6.564 21.466 1.00 0.00 O ATOM 428 CB LEU A 28 87.834 -4.471 22.677 1.00 0.00 C ATOM 429 CG LEU A 28 88.721 -3.213 22.602 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.570 -2.390 23.888 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.199 -3.610 22.446 1.00 0.00 C ATOM 0 H LEU A 28 85.707 -3.994 21.035 1.00 0.00 H new ATOM 0 HA LEU A 28 88.500 -5.080 20.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.889 -4.229 23.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.321 -5.231 23.288 1.00 0.00 H new ATOM 0 HG LEU A 28 88.407 -2.623 21.741 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.200 -1.502 23.828 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.529 -2.089 24.007 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.874 -2.993 24.744 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.814 -2.711 22.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.507 -4.211 23.302 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.326 -4.189 21.531 1.00 0.00 H new ATOM 443 N PRO A 29 87.762 -7.457 21.458 1.00 0.00 N ATOM 444 CA PRO A 29 87.262 -8.856 21.603 1.00 0.00 C ATOM 445 C PRO A 29 86.674 -9.091 23.003 1.00 0.00 C ATOM 446 O PRO A 29 86.941 -8.344 23.923 1.00 0.00 O ATOM 447 CB PRO A 29 88.513 -9.718 21.368 1.00 0.00 C ATOM 448 CG PRO A 29 89.658 -8.839 21.755 1.00 0.00 C ATOM 449 CD PRO A 29 89.237 -7.415 21.385 1.00 0.00 C ATOM 0 HA PRO A 29 86.456 -9.091 20.908 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.488 -10.625 21.972 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.588 -10.031 20.327 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.869 -8.919 22.821 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.567 -9.127 21.227 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.652 -6.682 22.077 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.581 -7.142 20.387 1.00 0.00 H new ATOM 457 N PRO A 30 85.864 -10.106 23.159 1.00 0.00 N ATOM 458 CA PRO A 30 85.212 -10.423 24.465 1.00 0.00 C ATOM 459 C PRO A 30 86.221 -10.535 25.621 1.00 0.00 C ATOM 460 O PRO A 30 85.871 -10.367 26.772 1.00 0.00 O ATOM 461 CB PRO A 30 84.498 -11.773 24.211 1.00 0.00 C ATOM 462 CG PRO A 30 85.074 -12.297 22.928 1.00 0.00 C ATOM 463 CD PRO A 30 85.482 -11.070 22.120 1.00 0.00 C ATOM 0 HA PRO A 30 84.530 -9.631 24.775 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.671 -12.469 25.032 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.419 -11.637 24.130 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.932 -12.941 23.120 1.00 0.00 H new ATOM 0 HG3 PRO A 30 84.341 -12.895 22.386 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.311 -11.287 21.446 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.661 -10.699 21.507 1.00 0.00 H new ATOM 471 N VAL A 31 87.459 -10.828 25.332 1.00 0.00 N ATOM 472 CA VAL A 31 88.459 -10.960 26.432 1.00 0.00 C ATOM 473 C VAL A 31 88.562 -9.641 27.204 1.00 0.00 C ATOM 474 O VAL A 31 88.496 -9.617 28.417 1.00 0.00 O ATOM 475 CB VAL A 31 89.828 -11.304 25.834 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.909 -11.249 26.924 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.779 -12.711 25.237 1.00 0.00 C ATOM 0 H VAL A 31 87.821 -10.981 24.391 1.00 0.00 H new ATOM 0 HA VAL A 31 88.142 -11.751 27.112 1.00 0.00 H new ATOM 0 HB VAL A 31 90.071 -10.580 25.056 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.878 -11.495 26.489 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.946 -10.246 27.349 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.671 -11.967 27.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.751 -12.959 24.811 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.531 -13.429 26.018 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.020 -12.749 24.456 1.00 0.00 H new ATOM 487 N VAL A 32 88.731 -8.546 26.515 1.00 0.00 N ATOM 488 CA VAL A 32 88.847 -7.239 27.222 1.00 0.00 C ATOM 489 C VAL A 32 87.482 -6.818 27.766 1.00 0.00 C ATOM 490 O VAL A 32 87.368 -6.337 28.874 1.00 0.00 O ATOM 491 CB VAL A 32 89.354 -6.169 26.254 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.421 -4.819 26.976 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.751 -6.552 25.752 1.00 0.00 C ATOM 0 H VAL A 32 88.794 -8.499 25.498 1.00 0.00 H new ATOM 0 HA VAL A 32 89.550 -7.347 28.048 1.00 0.00 H new ATOM 0 HB VAL A 32 88.673 -6.094 25.406 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.782 -4.055 26.287 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.427 -4.546 27.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.101 -4.893 27.824 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.112 -5.789 25.062 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.434 -6.628 26.598 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.702 -7.512 25.238 1.00 0.00 H new ATOM 503 N ALA A 33 86.446 -6.985 26.991 1.00 0.00 N ATOM 504 CA ALA A 33 85.094 -6.578 27.465 1.00 0.00 C ATOM 505 C ALA A 33 84.739 -7.359 28.733 1.00 0.00 C ATOM 506 O ALA A 33 84.366 -6.789 29.739 1.00 0.00 O ATOM 507 CB ALA A 33 84.069 -6.860 26.364 1.00 0.00 C ATOM 0 H ALA A 33 86.477 -7.384 26.053 1.00 0.00 H new ATOM 0 HA ALA A 33 85.087 -5.513 27.696 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.077 -6.564 26.706 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.329 -6.293 25.470 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.069 -7.925 26.131 1.00 0.00 H new ATOM 513 N LYS A 34 84.872 -8.654 28.702 1.00 0.00 N ATOM 514 CA LYS A 34 84.563 -9.460 29.916 1.00 0.00 C ATOM 515 C LYS A 34 85.470 -9.026 31.068 1.00 0.00 C ATOM 516 O LYS A 34 85.051 -8.941 32.206 1.00 0.00 O ATOM 517 CB LYS A 34 84.775 -10.947 29.623 1.00 0.00 C ATOM 518 CG LYS A 34 83.679 -11.440 28.674 1.00 0.00 C ATOM 519 CD LYS A 34 83.887 -12.926 28.377 1.00 0.00 C ATOM 520 CE LYS A 34 82.790 -13.414 27.429 1.00 0.00 C ATOM 521 NZ LYS A 34 82.990 -14.863 27.142 1.00 0.00 N ATOM 0 H LYS A 34 85.181 -9.190 27.891 1.00 0.00 H new ATOM 0 HA LYS A 34 83.522 -9.297 30.196 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.756 -11.104 29.176 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.752 -11.519 30.551 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.698 -11.282 29.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.702 -10.867 27.747 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.868 -13.084 27.928 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.864 -13.500 29.303 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.809 -13.253 27.877 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.815 -12.842 26.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.244 -15.195 26.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.920 -15.004 26.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.945 -15.402 28.030 1.00 0.00 H new ATOM 535 N GLU A 35 86.714 -8.761 30.781 1.00 0.00 N ATOM 536 CA GLU A 35 87.659 -8.344 31.857 1.00 0.00 C ATOM 537 C GLU A 35 87.182 -7.039 32.499 1.00 0.00 C ATOM 538 O GLU A 35 87.259 -6.867 33.698 1.00 0.00 O ATOM 539 CB GLU A 35 89.050 -8.133 31.251 1.00 0.00 C ATOM 540 CG GLU A 35 90.087 -7.941 32.369 1.00 0.00 C ATOM 541 CD GLU A 35 90.030 -6.500 32.885 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.014 -5.598 32.064 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.001 -6.326 34.092 1.00 0.00 O ATOM 0 H GLU A 35 87.119 -8.815 29.846 1.00 0.00 H new ATOM 0 HA GLU A 35 87.700 -9.121 32.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.321 -8.991 30.635 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.042 -7.261 30.597 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.890 -8.637 33.184 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.086 -8.164 31.994 1.00 0.00 H new ATOM 550 N ILE A 36 86.688 -6.118 31.717 1.00 0.00 N ATOM 551 CA ILE A 36 86.209 -4.834 32.302 1.00 0.00 C ATOM 552 C ILE A 36 85.071 -5.141 33.277 1.00 0.00 C ATOM 553 O ILE A 36 84.987 -4.582 34.352 1.00 0.00 O ATOM 554 CB ILE A 36 85.724 -3.917 31.176 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.929 -3.470 30.344 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.040 -2.688 31.772 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.448 -2.764 29.077 1.00 0.00 C ATOM 0 H ILE A 36 86.596 -6.198 30.704 1.00 0.00 H new ATOM 0 HA ILE A 36 87.014 -4.329 32.836 1.00 0.00 H new ATOM 0 HB ILE A 36 85.015 -4.455 30.547 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.558 -2.799 30.929 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.541 -4.333 30.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.696 -2.037 30.968 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.188 -3.002 32.374 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.748 -2.146 32.400 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.309 -2.447 28.488 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.837 -3.449 28.488 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.854 -1.891 29.350 1.00 0.00 H new ATOM 569 N VAL A 37 84.217 -6.058 32.917 1.00 0.00 N ATOM 570 CA VAL A 37 83.101 -6.451 33.823 1.00 0.00 C ATOM 571 C VAL A 37 83.697 -7.115 35.067 1.00 0.00 C ATOM 572 O VAL A 37 83.242 -6.912 36.175 1.00 0.00 O ATOM 573 CB VAL A 37 82.183 -7.438 33.086 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.201 -8.077 34.074 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.401 -6.690 32.001 1.00 0.00 C ATOM 0 H VAL A 37 84.244 -6.556 32.027 1.00 0.00 H new ATOM 0 HA VAL A 37 82.520 -5.578 34.119 1.00 0.00 H new ATOM 0 HB VAL A 37 82.790 -8.220 32.630 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.554 -8.775 33.543 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.756 -8.611 34.845 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.593 -7.300 34.537 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.749 -7.388 31.476 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.799 -5.907 32.461 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.098 -6.243 31.293 1.00 0.00 H new ATOM 585 N ALA A 38 84.706 -7.917 34.879 1.00 0.00 N ATOM 586 CA ALA A 38 85.344 -8.618 36.029 1.00 0.00 C ATOM 587 C ALA A 38 85.879 -7.605 37.047 1.00 0.00 C ATOM 588 O ALA A 38 86.047 -7.918 38.209 1.00 0.00 O ATOM 589 CB ALA A 38 86.502 -9.473 35.515 1.00 0.00 C ATOM 0 H ALA A 38 85.121 -8.119 33.969 1.00 0.00 H new ATOM 0 HA ALA A 38 84.599 -9.246 36.516 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.973 -9.989 36.352 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.124 -10.207 34.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.236 -8.834 35.023 1.00 0.00 H new ATOM 595 N SER A 39 86.164 -6.399 36.628 1.00 0.00 N ATOM 596 CA SER A 39 86.705 -5.388 37.586 1.00 0.00 C ATOM 597 C SER A 39 85.558 -4.551 38.151 1.00 0.00 C ATOM 598 O SER A 39 85.597 -4.117 39.285 1.00 0.00 O ATOM 599 CB SER A 39 87.686 -4.472 36.852 1.00 0.00 C ATOM 600 OG SER A 39 88.836 -5.220 36.479 1.00 0.00 O ATOM 0 H SER A 39 86.046 -6.071 35.669 1.00 0.00 H new ATOM 0 HA SER A 39 87.217 -5.898 38.402 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.212 -4.046 35.968 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.972 -3.638 37.493 1.00 0.00 H new ATOM 0 HG SER A 39 88.814 -5.395 35.515 1.00 0.00 H new ATOM 606 N CYS A 40 84.530 -4.331 37.381 1.00 0.00 N ATOM 607 CA CYS A 40 83.382 -3.535 37.896 1.00 0.00 C ATOM 608 C CYS A 40 82.782 -4.245 39.111 1.00 0.00 C ATOM 609 O CYS A 40 82.513 -5.427 39.078 1.00 0.00 O ATOM 610 CB CYS A 40 82.322 -3.395 36.806 1.00 0.00 C ATOM 611 SG CYS A 40 80.950 -2.393 37.429 1.00 0.00 S ATOM 0 H CYS A 40 84.435 -4.666 36.422 1.00 0.00 H new ATOM 0 HA CYS A 40 83.727 -2.543 38.187 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.754 -2.929 35.920 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.961 -4.379 36.505 1.00 0.00 H new ATOM 0 HG CYS A 40 79.834 -2.817 36.914 1.00 0.00 H new ATOM 616 N ASP A 41 82.582 -3.533 40.184 1.00 0.00 N ATOM 617 CA ASP A 41 82.012 -4.161 41.413 1.00 0.00 C ATOM 618 C ASP A 41 80.514 -4.440 41.249 1.00 0.00 C ATOM 619 O ASP A 41 80.009 -5.438 41.725 1.00 0.00 O ATOM 620 CB ASP A 41 82.222 -3.217 42.600 1.00 0.00 C ATOM 621 CG ASP A 41 83.709 -3.167 42.958 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.415 -4.097 42.604 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.116 -2.200 43.580 1.00 0.00 O ATOM 0 H ASP A 41 82.789 -2.538 40.265 1.00 0.00 H new ATOM 0 HA ASP A 41 82.521 -5.110 41.585 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.864 -2.218 42.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.642 -3.559 43.457 1.00 0.00 H new ATOM 628 N LYS A 42 79.791 -3.559 40.617 1.00 0.00 N ATOM 629 CA LYS A 42 78.320 -3.774 40.475 1.00 0.00 C ATOM 630 C LYS A 42 78.029 -4.920 39.497 1.00 0.00 C ATOM 631 O LYS A 42 77.165 -5.739 39.737 1.00 0.00 O ATOM 632 CB LYS A 42 77.674 -2.488 39.949 1.00 0.00 C ATOM 633 CG LYS A 42 77.940 -1.324 40.916 1.00 0.00 C ATOM 634 CD LYS A 42 77.153 -1.508 42.221 1.00 0.00 C ATOM 635 CE LYS A 42 77.101 -0.175 42.973 1.00 0.00 C ATOM 636 NZ LYS A 42 76.506 -0.387 44.324 1.00 0.00 N ATOM 0 H LYS A 42 80.150 -2.703 40.194 1.00 0.00 H new ATOM 0 HA LYS A 42 77.908 -4.034 41.450 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.073 -2.249 38.963 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.600 -2.634 39.831 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.006 -1.263 41.135 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.657 -0.382 40.445 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.143 -1.856 42.004 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.626 -2.270 42.840 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.104 0.241 43.067 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.508 0.548 42.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.471 0.519 44.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.542 -0.765 44.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.089 -1.063 44.858 1.00 0.00 H new ATOM 650 N CYS A 43 78.734 -4.994 38.400 1.00 0.00 N ATOM 651 CA CYS A 43 78.476 -6.100 37.428 1.00 0.00 C ATOM 652 C CYS A 43 79.229 -7.356 37.875 1.00 0.00 C ATOM 653 O CYS A 43 79.305 -8.333 37.158 1.00 0.00 O ATOM 654 CB CYS A 43 78.938 -5.690 36.029 1.00 0.00 C ATOM 655 SG CYS A 43 78.015 -4.228 35.490 1.00 0.00 S ATOM 0 H CYS A 43 79.473 -4.342 38.135 1.00 0.00 H new ATOM 0 HA CYS A 43 77.406 -6.308 37.398 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.007 -5.476 36.036 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.782 -6.510 35.328 1.00 0.00 H new ATOM 0 HG CYS A 43 78.410 -3.879 34.302 1.00 0.00 H new ATOM 660 N GLN A 44 79.791 -7.334 39.054 1.00 0.00 N ATOM 661 CA GLN A 44 80.548 -8.523 39.545 1.00 0.00 C ATOM 662 C GLN A 44 79.573 -9.597 40.029 1.00 0.00 C ATOM 663 O GLN A 44 79.430 -10.640 39.422 1.00 0.00 O ATOM 664 CB GLN A 44 81.447 -8.104 40.715 1.00 0.00 C ATOM 665 CG GLN A 44 82.315 -9.285 41.163 1.00 0.00 C ATOM 666 CD GLN A 44 83.310 -9.632 40.056 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.434 -10.777 39.671 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.033 -8.683 39.529 1.00 0.00 N ATOM 0 H GLN A 44 79.759 -6.544 39.699 1.00 0.00 H new ATOM 0 HA GLN A 44 81.154 -8.921 38.731 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.081 -7.270 40.415 1.00 0.00 H new ATOM 0 HB3 GLN A 44 80.835 -7.756 41.547 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.848 -9.032 42.080 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.687 -10.148 41.387 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.928 -7.722 39.853 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.704 -8.902 38.792 1.00 0.00 H new ATOM 677 N LEU A 45 78.911 -9.356 41.123 1.00 0.00 N ATOM 678 CA LEU A 45 77.956 -10.369 41.656 1.00 0.00 C ATOM 679 C LEU A 45 76.615 -10.225 40.933 1.00 0.00 C ATOM 680 O LEU A 45 76.027 -9.163 40.903 1.00 0.00 O ATOM 681 CB LEU A 45 77.757 -10.131 43.157 1.00 0.00 C ATOM 682 CG LEU A 45 79.112 -10.180 43.878 1.00 0.00 C ATOM 683 CD1 LEU A 45 78.905 -9.854 45.360 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.735 -11.582 43.742 1.00 0.00 C ATOM 0 H LEU A 45 78.988 -8.501 41.674 1.00 0.00 H new ATOM 0 HA LEU A 45 78.351 -11.372 41.495 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.283 -9.163 43.321 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.089 -10.887 43.569 1.00 0.00 H new ATOM 0 HG LEU A 45 79.785 -9.450 43.428 1.00 0.00 H new ATOM 0 HD11 LEU A 45 79.864 -9.887 45.877 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.475 -8.857 45.457 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.229 -10.585 45.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.695 -11.605 44.257 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.068 -12.321 44.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.883 -11.813 42.687 1.00 0.00 H new ATOM 839 N PHE B 1 95.858 -11.601 22.566 1.00 0.00 N ATOM 840 CA PHE B 1 94.855 -12.673 22.815 1.00 0.00 C ATOM 841 C PHE B 1 95.322 -13.962 22.144 1.00 0.00 C ATOM 842 O PHE B 1 95.244 -14.114 20.941 1.00 0.00 O ATOM 843 CB PHE B 1 93.501 -12.245 22.246 1.00 0.00 C ATOM 844 CG PHE B 1 93.282 -10.776 22.539 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.075 -10.352 23.856 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.295 -9.839 21.496 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.879 -8.993 24.132 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.099 -8.479 21.773 1.00 0.00 C ATOM 849 CZ PHE B 1 92.891 -8.057 23.091 1.00 0.00 C ATOM 0 H1 PHE B 1 95.380 -10.677 22.543 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.567 -11.605 23.327 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.328 -11.770 21.654 1.00 0.00 H new ATOM 0 HA PHE B 1 94.752 -12.843 23.887 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.472 -12.422 21.171 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.702 -12.840 22.689 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.066 -11.073 24.660 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.456 -10.165 20.479 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.718 -8.667 25.149 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.108 -7.757 20.970 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.740 -7.009 23.305 1.00 0.00 H new ATOM 861 N LEU B 2 95.827 -14.886 22.920 1.00 0.00 N ATOM 862 CA LEU B 2 96.327 -16.174 22.350 1.00 0.00 C ATOM 863 C LEU B 2 95.325 -17.295 22.578 1.00 0.00 C ATOM 864 O LEU B 2 94.736 -17.411 23.627 1.00 0.00 O ATOM 865 CB LEU B 2 97.658 -16.540 23.014 1.00 0.00 C ATOM 866 CG LEU B 2 98.694 -15.439 22.753 1.00 0.00 C ATOM 867 CD1 LEU B 2 99.983 -15.775 23.511 1.00 0.00 C ATOM 868 CD2 LEU B 2 98.993 -15.339 21.244 1.00 0.00 C ATOM 0 H LEU B 2 95.915 -14.803 23.933 1.00 0.00 H new ATOM 0 HA LEU B 2 96.466 -16.047 21.276 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.515 -16.670 24.087 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.020 -17.491 22.623 1.00 0.00 H new ATOM 0 HG LEU B 2 98.300 -14.483 23.097 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.725 -14.997 23.330 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.772 -15.835 24.579 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.370 -16.733 23.164 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.729 -14.554 21.070 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.386 -16.291 20.887 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.075 -15.101 20.706 1.00 0.00 H new ATOM 880 N ASP B 3 95.150 -18.135 21.598 1.00 0.00 N ATOM 881 CA ASP B 3 94.208 -19.272 21.747 1.00 0.00 C ATOM 882 C ASP B 3 94.687 -20.129 22.916 1.00 0.00 C ATOM 883 O ASP B 3 93.905 -20.609 23.714 1.00 0.00 O ATOM 884 CB ASP B 3 94.193 -20.107 20.463 1.00 0.00 C ATOM 885 CG ASP B 3 93.190 -21.253 20.610 1.00 0.00 C ATOM 886 OD1 ASP B 3 92.770 -21.506 21.727 1.00 0.00 O ATOM 887 OD2 ASP B 3 92.860 -21.856 19.603 1.00 0.00 O ATOM 0 H ASP B 3 95.623 -18.081 20.696 1.00 0.00 H new ATOM 0 HA ASP B 3 93.198 -18.906 21.933 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.923 -19.481 19.613 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.188 -20.504 20.263 1.00 0.00 H new ATOM 892 N GLY B 4 95.978 -20.312 23.028 1.00 0.00 N ATOM 893 CA GLY B 4 96.531 -21.122 24.152 1.00 0.00 C ATOM 894 C GLY B 4 95.893 -20.666 25.465 1.00 0.00 C ATOM 895 O GLY B 4 95.992 -21.327 26.480 1.00 0.00 O ATOM 0 H GLY B 4 96.674 -19.933 22.386 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.331 -22.180 23.985 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.614 -21.006 24.201 1.00 0.00 H new ATOM 899 N ILE B 5 95.218 -19.548 25.446 1.00 0.00 N ATOM 900 CA ILE B 5 94.550 -19.053 26.678 1.00 0.00 C ATOM 901 C ILE B 5 93.542 -20.109 27.135 1.00 0.00 C ATOM 902 O ILE B 5 93.302 -20.285 28.314 1.00 0.00 O ATOM 903 CB ILE B 5 93.851 -17.717 26.371 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.900 -16.601 26.325 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.808 -17.396 27.449 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.279 -15.331 25.738 1.00 0.00 C ATOM 0 H ILE B 5 95.102 -18.955 24.624 1.00 0.00 H new ATOM 0 HA ILE B 5 95.275 -18.884 27.475 1.00 0.00 H new ATOM 0 HB ILE B 5 93.345 -17.793 25.409 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.277 -16.402 27.328 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.751 -16.914 25.720 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.324 -16.448 27.216 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.060 -18.188 27.479 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.298 -17.324 28.420 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.029 -14.540 25.707 1.00 0.00 H new ATOM 0 HD12 ILE B 5 93.923 -15.533 24.728 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.442 -15.014 26.360 1.00 0.00 H new ATOM 918 N ASP B 6 92.966 -20.828 26.212 1.00 0.00 N ATOM 919 CA ASP B 6 91.996 -21.888 26.596 1.00 0.00 C ATOM 920 C ASP B 6 92.714 -22.902 27.485 1.00 0.00 C ATOM 921 O ASP B 6 92.173 -23.383 28.459 1.00 0.00 O ATOM 922 CB ASP B 6 91.468 -22.586 25.340 1.00 0.00 C ATOM 923 CG ASP B 6 90.542 -21.636 24.577 1.00 0.00 C ATOM 924 OD1 ASP B 6 89.929 -20.798 25.217 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.461 -21.766 23.366 1.00 0.00 O ATOM 0 H ASP B 6 93.126 -20.727 25.210 1.00 0.00 H new ATOM 0 HA ASP B 6 91.156 -21.448 27.133 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.299 -22.889 24.703 1.00 0.00 H new ATOM 0 HB3 ASP B 6 90.929 -23.493 25.615 1.00 0.00 H new ATOM 930 N LYS B 7 93.935 -23.222 27.162 1.00 0.00 N ATOM 931 CA LYS B 7 94.696 -24.193 27.996 1.00 0.00 C ATOM 932 C LYS B 7 94.911 -23.585 29.383 1.00 0.00 C ATOM 933 O LYS B 7 94.853 -24.265 30.388 1.00 0.00 O ATOM 934 CB LYS B 7 96.050 -24.492 27.345 1.00 0.00 C ATOM 935 CG LYS B 7 96.800 -25.523 28.193 1.00 0.00 C ATOM 936 CD LYS B 7 98.011 -26.056 27.419 1.00 0.00 C ATOM 937 CE LYS B 7 99.072 -24.960 27.277 1.00 0.00 C ATOM 938 NZ LYS B 7 100.374 -25.581 26.900 1.00 0.00 N ATOM 0 H LYS B 7 94.440 -22.853 26.356 1.00 0.00 H new ATOM 0 HA LYS B 7 94.136 -25.124 28.081 1.00 0.00 H new ATOM 0 HB2 LYS B 7 95.905 -24.872 26.334 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.636 -23.577 27.261 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.127 -25.068 29.128 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.134 -26.345 28.454 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.434 -26.916 27.938 1.00 0.00 H new ATOM 0 HD3 LYS B 7 97.699 -26.400 26.433 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.767 -24.239 26.519 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.175 -24.413 28.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.097 -24.840 26.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.665 -26.253 27.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.270 -26.084 25.996 1.00 0.00 H new ATOM 952 N ALA B 8 95.157 -22.304 29.442 1.00 0.00 N ATOM 953 CA ALA B 8 95.375 -21.643 30.758 1.00 0.00 C ATOM 954 C ALA B 8 94.132 -21.838 31.633 1.00 0.00 C ATOM 955 O ALA B 8 94.228 -22.005 32.833 1.00 0.00 O ATOM 956 CB ALA B 8 95.618 -20.147 30.543 1.00 0.00 C ATOM 0 H ALA B 8 95.216 -21.686 28.632 1.00 0.00 H new ATOM 0 HA ALA B 8 96.242 -22.084 31.250 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.778 -19.662 31.506 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.499 -20.008 29.916 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.751 -19.704 30.053 1.00 0.00 H new ATOM 962 N GLN B 9 92.966 -21.824 31.044 1.00 0.00 N ATOM 963 CA GLN B 9 91.726 -22.015 31.849 1.00 0.00 C ATOM 964 C GLN B 9 91.784 -23.381 32.542 1.00 0.00 C ATOM 965 O GLN B 9 91.404 -23.526 33.687 1.00 0.00 O ATOM 966 CB GLN B 9 90.508 -21.974 30.919 1.00 0.00 C ATOM 967 CG GLN B 9 90.304 -20.551 30.396 1.00 0.00 C ATOM 968 CD GLN B 9 89.253 -20.560 29.284 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.097 -21.543 28.588 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.521 -19.497 29.085 1.00 0.00 N ATOM 0 H GLN B 9 92.819 -21.689 30.044 1.00 0.00 H new ATOM 0 HA GLN B 9 91.645 -21.224 32.595 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.652 -22.661 30.085 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.618 -22.306 31.455 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.985 -19.897 31.207 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.246 -20.153 30.017 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.652 -18.671 29.669 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.819 -19.493 28.345 1.00 0.00 H new ATOM 979 N GLU B 10 92.263 -24.380 31.851 1.00 0.00 N ATOM 980 CA GLU B 10 92.358 -25.741 32.454 1.00 0.00 C ATOM 981 C GLU B 10 93.275 -25.708 33.681 1.00 0.00 C ATOM 982 O GLU B 10 93.021 -26.356 34.676 1.00 0.00 O ATOM 983 CB GLU B 10 92.923 -26.720 31.416 1.00 0.00 C ATOM 984 CG GLU B 10 92.962 -28.142 31.995 1.00 0.00 C ATOM 985 CD GLU B 10 91.540 -28.614 32.306 1.00 0.00 C ATOM 986 OE1 GLU B 10 90.615 -28.054 31.740 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.399 -29.522 33.108 1.00 0.00 O ATOM 0 H GLU B 10 92.595 -24.311 30.889 1.00 0.00 H new ATOM 0 HA GLU B 10 91.364 -26.067 32.762 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.308 -26.703 30.516 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.926 -26.411 31.122 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.433 -28.821 31.284 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.567 -28.159 32.901 1.00 0.00 H new ATOM 994 N GLU B 11 94.355 -24.977 33.605 1.00 0.00 N ATOM 995 CA GLU B 11 95.310 -24.921 34.754 1.00 0.00 C ATOM 996 C GLU B 11 94.927 -23.783 35.702 1.00 0.00 C ATOM 997 O GLU B 11 95.587 -23.546 36.694 1.00 0.00 O ATOM 998 CB GLU B 11 96.725 -24.677 34.224 1.00 0.00 C ATOM 999 CG GLU B 11 97.131 -25.825 33.297 1.00 0.00 C ATOM 1000 CD GLU B 11 97.300 -27.108 34.112 1.00 0.00 C ATOM 1001 OE1 GLU B 11 98.119 -27.108 35.016 1.00 0.00 O ATOM 1002 OE2 GLU B 11 96.604 -28.067 33.822 1.00 0.00 O ATOM 0 H GLU B 11 94.619 -24.415 32.796 1.00 0.00 H new ATOM 0 HA GLU B 11 95.271 -25.867 35.295 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.764 -23.730 33.686 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.427 -24.601 35.054 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.373 -25.969 32.527 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.063 -25.581 32.786 1.00 0.00 H new ATOM 1009 N CYS B 12 93.864 -23.082 35.418 1.00 0.00 N ATOM 1010 CA CYS B 12 93.450 -21.969 36.321 1.00 0.00 C ATOM 1011 C CYS B 12 93.429 -22.477 37.764 1.00 0.00 C ATOM 1012 O CYS B 12 93.916 -21.832 38.671 1.00 0.00 O ATOM 1013 CB CYS B 12 92.048 -21.495 35.933 1.00 0.00 C ATOM 1014 SG CYS B 12 91.602 -20.051 36.928 1.00 0.00 S ATOM 0 H CYS B 12 93.266 -23.230 34.605 1.00 0.00 H new ATOM 0 HA CYS B 12 94.153 -21.141 36.230 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.018 -21.243 34.873 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.325 -22.296 36.090 1.00 0.00 H new ATOM 0 HG CYS B 12 90.977 -19.187 36.184 1.00 0.00 H new ATOM 1019 N GLU B 13 92.865 -23.633 37.975 1.00 0.00 N ATOM 1020 CA GLU B 13 92.801 -24.208 39.348 1.00 0.00 C ATOM 1021 C GLU B 13 94.221 -24.415 39.885 1.00 0.00 C ATOM 1022 O GLU B 13 94.497 -24.188 41.047 1.00 0.00 O ATOM 1023 CB GLU B 13 92.069 -25.549 39.291 1.00 0.00 C ATOM 1024 CG GLU B 13 90.603 -25.307 38.926 1.00 0.00 C ATOM 1025 CD GLU B 13 89.876 -26.646 38.809 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.475 -27.655 39.141 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.731 -26.641 38.382 1.00 0.00 O ATOM 0 H GLU B 13 92.442 -24.210 37.248 1.00 0.00 H new ATOM 0 HA GLU B 13 92.267 -23.526 40.010 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.537 -26.201 38.554 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.138 -26.056 40.254 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.126 -24.688 39.686 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.537 -24.763 37.984 1.00 0.00 H new ATOM 1034 N LYS B 14 95.123 -24.852 39.047 1.00 0.00 N ATOM 1035 CA LYS B 14 96.525 -25.087 39.501 1.00 0.00 C ATOM 1036 C LYS B 14 97.116 -23.776 40.022 1.00 0.00 C ATOM 1037 O LYS B 14 97.827 -23.754 41.007 1.00 0.00 O ATOM 1038 CB LYS B 14 97.365 -25.598 38.325 1.00 0.00 C ATOM 1039 CG LYS B 14 98.798 -25.887 38.789 1.00 0.00 C ATOM 1040 CD LYS B 14 99.623 -26.396 37.605 1.00 0.00 C ATOM 1041 CE LYS B 14 101.077 -26.601 38.037 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.135 -27.580 39.159 1.00 0.00 N ATOM 0 H LYS B 14 94.948 -25.057 38.063 1.00 0.00 H new ATOM 0 HA LYS B 14 96.531 -25.830 40.298 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.918 -26.503 37.914 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.375 -24.857 37.526 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.249 -24.983 39.198 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.791 -26.629 39.587 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.208 -27.334 37.237 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.575 -25.682 36.783 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.669 -26.962 37.196 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.511 -25.651 38.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.104 -27.948 39.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.859 -27.110 40.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.482 -28.367 38.967 1.00 0.00 H new ATOM 1056 N TYR B 15 96.837 -22.682 39.368 1.00 0.00 N ATOM 1057 CA TYR B 15 97.393 -21.377 39.828 1.00 0.00 C ATOM 1058 C TYR B 15 96.496 -20.797 40.922 1.00 0.00 C ATOM 1059 O TYR B 15 96.868 -19.868 41.608 1.00 0.00 O ATOM 1060 CB TYR B 15 97.455 -20.405 38.648 1.00 0.00 C ATOM 1061 CG TYR B 15 98.525 -20.855 37.683 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.867 -20.552 37.941 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.178 -21.576 36.533 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.863 -20.967 37.050 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.176 -21.991 35.641 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.517 -21.687 35.900 1.00 0.00 C ATOM 1067 OH TYR B 15 101.500 -22.096 35.021 1.00 0.00 O ATOM 0 H TYR B 15 96.249 -22.635 38.536 1.00 0.00 H new ATOM 0 HA TYR B 15 98.396 -21.529 40.226 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.489 -20.365 38.144 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.671 -19.397 39.004 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.134 -19.997 38.828 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.143 -21.812 36.334 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.898 -20.732 37.249 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.910 -22.546 34.753 1.00 0.00 H new ATOM 0 HH TYR B 15 102.300 -21.544 35.146 1.00 0.00 H new ATOM 1077 N HIS B 16 95.321 -21.341 41.093 1.00 0.00 N ATOM 1078 CA HIS B 16 94.405 -20.830 42.153 1.00 0.00 C ATOM 1079 C HIS B 16 94.139 -19.340 41.932 1.00 0.00 C ATOM 1080 O HIS B 16 93.921 -18.896 40.823 1.00 0.00 O ATOM 1081 CB HIS B 16 95.031 -21.048 43.536 1.00 0.00 C ATOM 1082 CG HIS B 16 95.394 -22.498 43.696 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.443 -23.472 43.962 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.597 -23.157 43.622 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.083 -24.654 44.037 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.395 -24.515 43.837 1.00 0.00 N ATOM 0 H HIS B 16 94.956 -22.119 40.543 1.00 0.00 H new ATOM 0 HA HIS B 16 93.462 -21.374 42.101 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.918 -20.425 43.648 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.331 -20.749 44.316 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.552 -22.692 43.427 1.00 0.00 H new ATOM 0 HE1 HIS B 16 94.595 -25.597 44.234 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.101 -25.251 43.841 1.00 0.00 H new ATOM 1095 N SER B 17 94.151 -18.568 42.983 1.00 0.00 N ATOM 1096 CA SER B 17 93.894 -17.107 42.845 1.00 0.00 C ATOM 1097 C SER B 17 95.190 -16.390 42.454 1.00 0.00 C ATOM 1098 O SER B 17 95.205 -15.195 42.238 1.00 0.00 O ATOM 1099 CB SER B 17 93.398 -16.552 44.180 1.00 0.00 C ATOM 1100 OG SER B 17 92.200 -17.219 44.550 1.00 0.00 O ATOM 0 H SER B 17 94.328 -18.887 43.935 1.00 0.00 H new ATOM 0 HA SER B 17 93.141 -16.945 42.074 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.158 -16.691 44.949 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.220 -15.480 44.098 1.00 0.00 H new ATOM 0 HG SER B 17 91.880 -16.866 45.407 1.00 0.00 H new ATOM 1106 N ASN B 18 96.280 -17.105 42.367 1.00 0.00 N ATOM 1107 CA ASN B 18 97.564 -16.445 42.000 1.00 0.00 C ATOM 1108 C ASN B 18 97.613 -16.244 40.487 1.00 0.00 C ATOM 1109 O ASN B 18 98.287 -16.961 39.773 1.00 0.00 O ATOM 1110 CB ASN B 18 98.737 -17.331 42.424 1.00 0.00 C ATOM 1111 CG ASN B 18 98.839 -17.348 43.948 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.356 -16.452 44.612 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.449 -18.340 44.534 1.00 0.00 N ATOM 0 H ASN B 18 96.336 -18.110 42.533 1.00 0.00 H new ATOM 0 HA ASN B 18 97.632 -15.482 42.505 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.596 -18.344 42.047 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.664 -16.956 41.991 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.521 -18.365 45.551 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.854 -19.091 43.975 1.00 0.00 H new ATOM 1120 N TRP B 19 96.902 -15.271 39.996 1.00 0.00 N ATOM 1121 CA TRP B 19 96.903 -15.014 38.533 1.00 0.00 C ATOM 1122 C TRP B 19 98.267 -14.460 38.111 1.00 0.00 C ATOM 1123 O TRP B 19 98.680 -14.597 36.977 1.00 0.00 O ATOM 1124 CB TRP B 19 95.801 -14.006 38.193 1.00 0.00 C ATOM 1125 CG TRP B 19 96.041 -12.722 38.922 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.513 -12.401 40.126 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.860 -11.586 38.519 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.947 -11.137 40.482 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.782 -10.594 39.526 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.653 -11.321 37.388 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.466 -9.383 39.414 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.344 -10.103 37.273 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.250 -9.137 38.284 1.00 0.00 C ATOM 0 H TRP B 19 96.319 -14.641 40.547 1.00 0.00 H new ATOM 0 HA TRP B 19 96.716 -15.945 37.997 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.781 -13.825 37.118 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.827 -14.413 38.466 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.859 -13.029 40.713 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.682 -10.664 41.346 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.731 -12.058 36.603 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.390 -8.641 40.195 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.951 -9.910 36.401 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.783 -8.203 38.190 1.00 0.00 H new ATOM 1144 N ARG B 20 98.967 -13.829 39.015 1.00 0.00 N ATOM 1145 CA ARG B 20 100.302 -13.264 38.666 1.00 0.00 C ATOM 1146 C ARG B 20 101.243 -14.389 38.236 1.00 0.00 C ATOM 1147 O ARG B 20 102.016 -14.247 37.309 1.00 0.00 O ATOM 1148 CB ARG B 20 100.890 -12.567 39.892 1.00 0.00 C ATOM 1149 CG ARG B 20 100.089 -11.300 40.189 1.00 0.00 C ATOM 1150 CD ARG B 20 100.673 -10.597 41.417 1.00 0.00 C ATOM 1151 NE ARG B 20 99.815 -9.431 41.768 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.926 -8.867 42.939 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.789 -9.323 43.807 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.171 -7.847 43.244 1.00 0.00 N ATOM 0 H ARG B 20 98.672 -13.680 39.980 1.00 0.00 H new ATOM 0 HA ARG B 20 100.188 -12.551 37.849 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.864 -13.237 40.752 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.936 -12.316 39.715 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.115 -10.631 39.328 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.043 -11.552 40.365 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.727 -11.290 42.257 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.691 -10.266 41.212 1.00 0.00 H new ATOM 0 HE ARG B 20 99.140 -9.073 41.092 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.378 -10.121 43.570 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.874 -8.881 44.722 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.495 -7.492 42.567 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.256 -7.405 44.159 1.00 0.00 H new ATOM 1168 N ALA B 21 101.187 -15.505 38.907 1.00 0.00 N ATOM 1169 CA ALA B 21 102.081 -16.637 38.542 1.00 0.00 C ATOM 1170 C ALA B 21 101.703 -17.158 37.155 1.00 0.00 C ATOM 1171 O ALA B 21 102.551 -17.403 36.321 1.00 0.00 O ATOM 1172 CB ALA B 21 101.925 -17.759 39.572 1.00 0.00 C ATOM 0 H ALA B 21 100.561 -15.682 39.692 1.00 0.00 H new ATOM 0 HA ALA B 21 103.116 -16.296 38.530 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.579 -18.590 39.307 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.195 -17.386 40.560 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.890 -18.101 39.583 1.00 0.00 H new ATOM 1178 N MET B 22 100.435 -17.324 36.897 1.00 0.00 N ATOM 1179 CA MET B 22 100.010 -17.820 35.559 1.00 0.00 C ATOM 1180 C MET B 22 100.442 -16.816 34.489 1.00 0.00 C ATOM 1181 O MET B 22 100.927 -17.180 33.438 1.00 0.00 O ATOM 1182 CB MET B 22 98.487 -17.983 35.534 1.00 0.00 C ATOM 1183 CG MET B 22 98.052 -18.528 34.172 1.00 0.00 C ATOM 1184 SD MET B 22 96.334 -19.095 34.266 1.00 0.00 S ATOM 1185 CE MET B 22 95.587 -17.514 34.733 1.00 0.00 C ATOM 0 H MET B 22 99.677 -17.138 37.554 1.00 0.00 H new ATOM 0 HA MET B 22 100.476 -18.785 35.359 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.171 -18.661 36.326 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.005 -17.024 35.724 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.149 -17.754 33.411 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.702 -19.351 33.874 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.521 -17.534 34.505 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.727 -17.347 35.801 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.063 -16.708 34.175 1.00 0.00 H new ATOM 1195 N ALA B 23 100.282 -15.549 34.755 1.00 0.00 N ATOM 1196 CA ALA B 23 100.691 -14.521 33.758 1.00 0.00 C ATOM 1197 C ALA B 23 102.177 -14.694 33.435 1.00 0.00 C ATOM 1198 O ALA B 23 102.601 -14.566 32.304 1.00 0.00 O ATOM 1199 CB ALA B 23 100.461 -13.130 34.349 1.00 0.00 C ATOM 0 H ALA B 23 99.886 -15.181 35.620 1.00 0.00 H new ATOM 0 HA ALA B 23 100.103 -14.636 32.848 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.759 -12.373 33.624 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.405 -13.007 34.590 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.055 -13.017 35.256 1.00 0.00 H new ATOM 1205 N SER B 24 102.971 -14.981 34.432 1.00 0.00 N ATOM 1206 CA SER B 24 104.434 -15.159 34.208 1.00 0.00 C ATOM 1207 C SER B 24 104.688 -16.398 33.345 1.00 0.00 C ATOM 1208 O SER B 24 105.563 -16.410 32.504 1.00 0.00 O ATOM 1209 CB SER B 24 105.132 -15.332 35.558 1.00 0.00 C ATOM 1210 OG SER B 24 106.527 -15.503 35.347 1.00 0.00 O ATOM 0 H SER B 24 102.666 -15.100 35.398 1.00 0.00 H new ATOM 0 HA SER B 24 104.827 -14.281 33.695 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.952 -14.461 36.188 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.724 -16.195 36.084 1.00 0.00 H new ATOM 0 HG SER B 24 106.977 -15.613 36.210 1.00 0.00 H new ATOM 1216 N ASP B 25 103.940 -17.445 33.557 1.00 0.00 N ATOM 1217 CA ASP B 25 104.154 -18.687 32.759 1.00 0.00 C ATOM 1218 C ASP B 25 103.723 -18.453 31.314 1.00 0.00 C ATOM 1219 O ASP B 25 104.400 -18.836 30.382 1.00 0.00 O ATOM 1220 CB ASP B 25 103.305 -19.809 33.349 1.00 0.00 C ATOM 1221 CG ASP B 25 103.699 -21.141 32.707 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.323 -21.109 31.658 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.370 -22.169 33.275 1.00 0.00 O ATOM 0 H ASP B 25 103.191 -17.495 34.247 1.00 0.00 H new ATOM 0 HA ASP B 25 105.210 -18.956 32.786 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.447 -19.858 34.429 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.248 -19.609 33.176 1.00 0.00 H new ATOM 1228 N PHE B 26 102.602 -17.819 31.123 1.00 0.00 N ATOM 1229 CA PHE B 26 102.118 -17.550 29.734 1.00 0.00 C ATOM 1230 C PHE B 26 102.631 -16.182 29.275 1.00 0.00 C ATOM 1231 O PHE B 26 102.391 -15.758 28.163 1.00 0.00 O ATOM 1232 CB PHE B 26 100.588 -17.568 29.708 1.00 0.00 C ATOM 1233 CG PHE B 26 100.093 -18.983 29.911 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.895 -19.480 31.205 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.828 -19.798 28.803 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.434 -20.789 31.391 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.368 -21.106 28.989 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.171 -21.602 30.284 1.00 0.00 C ATOM 0 H PHE B 26 101.996 -17.473 31.867 1.00 0.00 H new ATOM 0 HA PHE B 26 102.493 -18.321 29.061 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.193 -16.918 30.489 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.226 -17.178 28.757 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.098 -18.853 32.061 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.979 -19.416 27.804 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.282 -21.171 32.390 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.165 -21.734 28.134 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.816 -22.612 30.428 1.00 0.00 H new ATOM 1248 N ASN B 27 103.355 -15.498 30.121 1.00 0.00 N ATOM 1249 CA ASN B 27 103.907 -14.169 29.733 1.00 0.00 C ATOM 1250 C ASN B 27 102.795 -13.275 29.180 1.00 0.00 C ATOM 1251 O ASN B 27 102.931 -12.692 28.123 1.00 0.00 O ATOM 1252 CB ASN B 27 104.980 -14.364 28.660 1.00 0.00 C ATOM 1253 CG ASN B 27 106.100 -15.251 29.211 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.575 -15.020 30.404 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.546 -16.166 28.548 1.00 0.00 N flip ATOM 0 H ASN B 27 103.588 -15.804 31.066 1.00 0.00 H new ATOM 0 HA ASN B 27 104.341 -13.692 30.612 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.543 -14.822 27.773 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.383 -13.399 28.355 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.176 -16.348 27.615 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.291 -16.753 28.924 1.00 0.00 H new ATOM 1262 N LEU B 28 101.695 -13.163 29.886 1.00 0.00 N ATOM 1263 CA LEU B 28 100.556 -12.305 29.411 1.00 0.00 C ATOM 1264 C LEU B 28 100.290 -11.196 30.441 1.00 0.00 C ATOM 1265 O LEU B 28 100.536 -11.372 31.616 1.00 0.00 O ATOM 1266 CB LEU B 28 99.297 -13.171 29.285 1.00 0.00 C ATOM 1267 CG LEU B 28 99.404 -14.099 28.058 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.434 -15.277 28.211 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.041 -13.329 26.776 1.00 0.00 C ATOM 0 H LEU B 28 101.534 -13.631 30.778 1.00 0.00 H new ATOM 0 HA LEU B 28 100.808 -11.864 28.447 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.165 -13.766 30.189 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.417 -12.534 29.192 1.00 0.00 H new ATOM 0 HG LEU B 28 100.429 -14.464 27.990 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.514 -15.929 27.341 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.684 -15.839 29.111 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.414 -14.901 28.290 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.120 -13.995 25.917 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.020 -12.956 26.853 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.725 -12.490 26.649 1.00 0.00 H new ATOM 1281 N PRO B 29 99.774 -10.064 30.013 1.00 0.00 N ATOM 1282 CA PRO B 29 99.460 -8.933 30.936 1.00 0.00 C ATOM 1283 C PRO B 29 98.267 -9.274 31.842 1.00 0.00 C ATOM 1284 O PRO B 29 97.504 -10.174 31.555 1.00 0.00 O ATOM 1285 CB PRO B 29 99.132 -7.769 29.989 1.00 0.00 C ATOM 1286 CG PRO B 29 98.651 -8.424 28.734 1.00 0.00 C ATOM 1287 CD PRO B 29 99.437 -9.730 28.614 1.00 0.00 C ATOM 0 HA PRO B 29 100.280 -8.700 31.615 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.368 -7.117 30.413 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.010 -7.151 29.802 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.579 -8.616 28.780 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.823 -7.784 27.869 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.842 -10.515 28.147 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.332 -9.604 28.005 1.00 0.00 H new ATOM 1295 N PRO B 30 98.118 -8.575 32.938 1.00 0.00 N ATOM 1296 CA PRO B 30 97.011 -8.827 33.910 1.00 0.00 C ATOM 1297 C PRO B 30 95.624 -8.826 33.245 1.00 0.00 C ATOM 1298 O PRO B 30 94.688 -9.407 33.755 1.00 0.00 O ATOM 1299 CB PRO B 30 97.143 -7.674 34.935 1.00 0.00 C ATOM 1300 CG PRO B 30 98.057 -6.670 34.296 1.00 0.00 C ATOM 1301 CD PRO B 30 98.975 -7.465 33.374 1.00 0.00 C ATOM 0 HA PRO B 30 97.093 -9.814 34.364 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.171 -7.234 35.157 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.554 -8.033 35.879 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.490 -5.927 33.736 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.632 -6.131 35.049 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.320 -6.865 32.532 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.863 -7.821 33.896 1.00 0.00 H new ATOM 1309 N VAL B 31 95.478 -8.173 32.125 1.00 0.00 N ATOM 1310 CA VAL B 31 94.141 -8.141 31.462 1.00 0.00 C ATOM 1311 C VAL B 31 93.693 -9.566 31.122 1.00 0.00 C ATOM 1312 O VAL B 31 92.587 -9.966 31.424 1.00 0.00 O ATOM 1313 CB VAL B 31 94.229 -7.319 30.172 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.915 -7.437 29.387 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.485 -5.853 30.524 1.00 0.00 C ATOM 0 H VAL B 31 96.219 -7.664 31.643 1.00 0.00 H new ATOM 0 HA VAL B 31 93.418 -7.687 32.140 1.00 0.00 H new ATOM 0 HB VAL B 31 95.046 -7.697 29.558 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.984 -6.850 28.471 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.734 -8.482 29.136 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.092 -7.063 29.996 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.548 -5.265 29.609 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.667 -5.479 31.140 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.422 -5.769 31.075 1.00 0.00 H new ATOM 1325 N VAL B 32 94.537 -10.332 30.486 1.00 0.00 N ATOM 1326 CA VAL B 32 94.143 -11.722 30.123 1.00 0.00 C ATOM 1327 C VAL B 32 94.115 -12.598 31.375 1.00 0.00 C ATOM 1328 O VAL B 32 93.222 -13.400 31.562 1.00 0.00 O ATOM 1329 CB VAL B 32 95.146 -12.303 29.125 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.758 -13.747 28.795 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.138 -11.463 27.844 1.00 0.00 C ATOM 0 H VAL B 32 95.478 -10.057 30.203 1.00 0.00 H new ATOM 0 HA VAL B 32 93.151 -11.700 29.672 1.00 0.00 H new ATOM 0 HB VAL B 32 96.145 -12.287 29.561 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.472 -14.162 28.084 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.766 -14.343 29.707 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.759 -13.765 28.359 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.853 -11.877 27.133 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.140 -11.477 27.406 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.415 -10.436 28.081 1.00 0.00 H new ATOM 1341 N ALA B 33 95.091 -12.461 32.230 1.00 0.00 N ATOM 1342 CA ALA B 33 95.120 -13.300 33.460 1.00 0.00 C ATOM 1343 C ALA B 33 93.862 -13.039 34.290 1.00 0.00 C ATOM 1344 O ALA B 33 93.159 -13.954 34.672 1.00 0.00 O ATOM 1345 CB ALA B 33 96.372 -12.956 34.274 1.00 0.00 C ATOM 0 H ALA B 33 95.867 -11.807 32.130 1.00 0.00 H new ATOM 0 HA ALA B 33 95.147 -14.355 33.187 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.399 -13.567 35.176 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.261 -13.154 33.675 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.348 -11.902 34.551 1.00 0.00 H new ATOM 1351 N LYS B 34 93.559 -11.800 34.555 1.00 0.00 N ATOM 1352 CA LYS B 34 92.330 -11.489 35.338 1.00 0.00 C ATOM 1353 C LYS B 34 91.101 -12.018 34.601 1.00 0.00 C ATOM 1354 O LYS B 34 90.177 -12.533 35.200 1.00 0.00 O ATOM 1355 CB LYS B 34 92.207 -9.976 35.534 1.00 0.00 C ATOM 1356 CG LYS B 34 93.287 -9.499 36.506 1.00 0.00 C ATOM 1357 CD LYS B 34 93.169 -7.987 36.706 1.00 0.00 C ATOM 1358 CE LYS B 34 94.250 -7.516 37.680 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.135 -6.043 37.877 1.00 0.00 N ATOM 0 H LYS B 34 94.107 -10.990 34.265 1.00 0.00 H new ATOM 0 HA LYS B 34 92.397 -11.970 36.314 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.312 -9.465 34.577 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.219 -9.728 35.921 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.181 -10.011 37.462 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.275 -9.748 36.118 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.276 -7.473 35.751 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.181 -7.737 37.093 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.143 -8.031 38.635 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.238 -7.766 37.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.870 -5.723 38.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.257 -5.560 36.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.197 -5.817 38.265 1.00 0.00 H new ATOM 1373 N GLU B 35 91.078 -11.883 33.305 1.00 0.00 N ATOM 1374 CA GLU B 35 89.905 -12.363 32.521 1.00 0.00 C ATOM 1375 C GLU B 35 89.737 -13.874 32.697 1.00 0.00 C ATOM 1376 O GLU B 35 88.637 -14.372 32.820 1.00 0.00 O ATOM 1377 CB GLU B 35 90.122 -12.044 31.040 1.00 0.00 C ATOM 1378 CG GLU B 35 88.830 -12.310 30.250 1.00 0.00 C ATOM 1379 CD GLU B 35 88.698 -13.808 29.963 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.675 -14.397 29.531 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.623 -14.341 30.182 1.00 0.00 O ATOM 0 H GLU B 35 91.823 -11.459 32.752 1.00 0.00 H new ATOM 0 HA GLU B 35 89.006 -11.862 32.880 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.421 -11.002 30.924 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.933 -12.655 30.643 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.967 -11.962 30.818 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.843 -11.751 29.315 1.00 0.00 H new ATOM 1388 N ILE B 36 90.815 -14.610 32.713 1.00 0.00 N ATOM 1389 CA ILE B 36 90.697 -16.085 32.884 1.00 0.00 C ATOM 1390 C ILE B 36 90.037 -16.364 34.237 1.00 0.00 C ATOM 1391 O ILE B 36 89.184 -17.220 34.363 1.00 0.00 O ATOM 1392 CB ILE B 36 92.092 -16.713 32.825 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.631 -16.593 31.397 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.008 -18.190 33.208 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.109 -16.984 31.368 1.00 0.00 C ATOM 0 H ILE B 36 91.767 -14.256 32.616 1.00 0.00 H new ATOM 0 HA ILE B 36 90.089 -16.518 32.090 1.00 0.00 H new ATOM 0 HB ILE B 36 92.755 -16.197 33.520 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.061 -17.238 30.728 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.508 -15.572 31.037 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.002 -18.634 33.165 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.613 -18.282 34.220 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.348 -18.709 32.513 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.488 -16.897 30.350 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.674 -16.321 32.023 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.220 -18.013 31.710 1.00 0.00 H new ATOM 1407 N VAL B 37 90.404 -15.613 35.237 1.00 0.00 N ATOM 1408 CA VAL B 37 89.784 -15.785 36.580 1.00 0.00 C ATOM 1409 C VAL B 37 88.305 -15.400 36.485 1.00 0.00 C ATOM 1410 O VAL B 37 87.445 -16.026 37.073 1.00 0.00 O ATOM 1411 CB VAL B 37 90.502 -14.872 37.583 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.714 -14.811 38.896 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.906 -15.426 37.857 1.00 0.00 C ATOM 0 H VAL B 37 91.113 -14.882 35.181 1.00 0.00 H new ATOM 0 HA VAL B 37 89.872 -16.819 36.914 1.00 0.00 H new ATOM 0 HB VAL B 37 90.575 -13.868 37.165 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.232 -14.161 39.601 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.716 -14.416 38.704 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.633 -15.813 39.318 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.419 -14.780 38.569 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.826 -16.431 38.271 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.471 -15.461 36.926 1.00 0.00 H new ATOM 1423 N ALA B 38 88.013 -14.362 35.754 1.00 0.00 N ATOM 1424 CA ALA B 38 86.602 -13.906 35.613 1.00 0.00 C ATOM 1425 C ALA B 38 85.735 -15.017 35.013 1.00 0.00 C ATOM 1426 O ALA B 38 84.533 -15.034 35.192 1.00 0.00 O ATOM 1427 CB ALA B 38 86.557 -12.685 34.692 1.00 0.00 C ATOM 0 H ALA B 38 88.698 -13.804 35.243 1.00 0.00 H new ATOM 0 HA ALA B 38 86.216 -13.650 36.600 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.526 -12.347 34.586 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.159 -11.884 35.121 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.954 -12.953 33.713 1.00 0.00 H new ATOM 1433 N SER B 39 86.320 -15.938 34.294 1.00 0.00 N ATOM 1434 CA SER B 39 85.504 -17.030 33.678 1.00 0.00 C ATOM 1435 C SER B 39 85.491 -18.244 34.606 1.00 0.00 C ATOM 1436 O SER B 39 84.522 -18.975 34.670 1.00 0.00 O ATOM 1437 CB SER B 39 86.122 -17.425 32.336 1.00 0.00 C ATOM 1438 OG SER B 39 85.982 -16.347 31.420 1.00 0.00 O ATOM 0 H SER B 39 87.322 -15.983 34.106 1.00 0.00 H new ATOM 0 HA SER B 39 84.483 -16.680 33.524 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.176 -17.672 32.466 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.631 -18.316 31.945 1.00 0.00 H new ATOM 0 HG SER B 39 86.855 -15.928 31.272 1.00 0.00 H new ATOM 1444 N CYS B 40 86.548 -18.464 35.336 1.00 0.00 N ATOM 1445 CA CYS B 40 86.572 -19.626 36.267 1.00 0.00 C ATOM 1446 C CYS B 40 85.445 -19.473 37.290 1.00 0.00 C ATOM 1447 O CYS B 40 85.283 -18.435 37.896 1.00 0.00 O ATOM 1448 CB CYS B 40 87.917 -19.683 36.984 1.00 0.00 C ATOM 1449 SG CYS B 40 87.950 -21.122 38.082 1.00 0.00 S ATOM 0 H CYS B 40 87.393 -17.892 35.329 1.00 0.00 H new ATOM 0 HA CYS B 40 86.431 -20.549 35.705 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.727 -19.747 36.257 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.075 -18.770 37.558 1.00 0.00 H new ATOM 0 HG CYS B 40 88.646 -20.842 39.144 1.00 0.00 H new ATOM 1454 N ASP B 41 84.662 -20.497 37.478 1.00 0.00 N ATOM 1455 CA ASP B 41 83.533 -20.417 38.451 1.00 0.00 C ATOM 1456 C ASP B 41 84.043 -20.469 39.896 1.00 0.00 C ATOM 1457 O ASP B 41 83.513 -19.810 40.769 1.00 0.00 O ATOM 1458 CB ASP B 41 82.580 -21.591 38.210 1.00 0.00 C ATOM 1459 CG ASP B 41 81.845 -21.390 36.885 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.764 -20.257 36.441 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.374 -22.373 36.336 1.00 0.00 O ATOM 0 H ASP B 41 84.754 -21.392 36.998 1.00 0.00 H new ATOM 0 HA ASP B 41 83.015 -19.469 38.303 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.138 -22.527 38.190 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.863 -21.665 39.028 1.00 0.00 H new ATOM 1466 N LYS B 42 85.035 -21.269 40.169 1.00 0.00 N ATOM 1467 CA LYS B 42 85.532 -21.378 41.574 1.00 0.00 C ATOM 1468 C LYS B 42 86.264 -20.098 41.994 1.00 0.00 C ATOM 1469 O LYS B 42 86.096 -19.617 43.097 1.00 0.00 O ATOM 1470 CB LYS B 42 86.496 -22.565 41.673 1.00 0.00 C ATOM 1471 CG LYS B 42 85.786 -23.865 41.269 1.00 0.00 C ATOM 1472 CD LYS B 42 84.749 -24.272 42.326 1.00 0.00 C ATOM 1473 CE LYS B 42 84.367 -25.741 42.124 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.224 -26.087 43.015 1.00 0.00 N ATOM 0 H LYS B 42 85.522 -21.850 39.487 1.00 0.00 H new ATOM 0 HA LYS B 42 84.679 -21.525 42.237 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.357 -22.397 41.026 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.874 -22.651 42.692 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.296 -23.732 40.305 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.519 -24.662 41.147 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.156 -24.125 43.326 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.864 -23.640 42.246 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.096 -25.917 41.083 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.220 -26.383 42.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 82.966 -27.085 42.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.498 -25.935 44.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 82.409 -25.483 42.785 1.00 0.00 H new ATOM 1488 N CYS B 43 87.073 -19.535 41.136 1.00 0.00 N ATOM 1489 CA CYS B 43 87.799 -18.285 41.513 1.00 0.00 C ATOM 1490 C CYS B 43 86.886 -17.077 41.291 1.00 0.00 C ATOM 1491 O CYS B 43 87.311 -15.942 41.372 1.00 0.00 O ATOM 1492 CB CYS B 43 89.069 -18.138 40.673 1.00 0.00 C ATOM 1493 SG CYS B 43 90.159 -19.551 40.972 1.00 0.00 S ATOM 0 H CYS B 43 87.262 -19.883 40.196 1.00 0.00 H new ATOM 0 HA CYS B 43 88.079 -18.339 42.565 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.813 -18.080 39.615 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.581 -17.210 40.928 1.00 0.00 H new ATOM 0 HG CYS B 43 91.237 -19.427 40.256 1.00 0.00 H new ATOM 1498 N GLN B 44 85.634 -17.313 41.002 1.00 0.00 N ATOM 1499 CA GLN B 44 84.694 -16.177 40.762 1.00 0.00 C ATOM 1500 C GLN B 44 84.274 -15.561 42.097 1.00 0.00 C ATOM 1501 O GLN B 44 84.644 -14.452 42.425 1.00 0.00 O ATOM 1502 CB GLN B 44 83.446 -16.696 40.039 1.00 0.00 C ATOM 1503 CG GLN B 44 82.523 -15.527 39.675 1.00 0.00 C ATOM 1504 CD GLN B 44 83.209 -14.638 38.637 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.198 -13.342 38.794 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.758 -15.127 37.670 1.00 0.00 N flip ATOM 0 H GLN B 44 85.221 -18.242 40.922 1.00 0.00 H new ATOM 0 HA GLN B 44 85.192 -15.423 40.153 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.736 -17.235 39.137 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.915 -17.404 40.676 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.580 -15.904 39.280 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.286 -14.946 40.566 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.767 -16.139 37.547 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.210 -14.525 36.982 1.00 0.00 H new ATOM 1515 N LEU B 45 83.492 -16.268 42.863 1.00 0.00 N ATOM 1516 CA LEU B 45 83.033 -15.717 44.171 1.00 0.00 C ATOM 1517 C LEU B 45 84.118 -15.955 45.224 1.00 0.00 C ATOM 1518 O LEU B 45 84.551 -17.068 45.441 1.00 0.00 O ATOM 1519 CB LEU B 45 81.745 -16.432 44.592 1.00 0.00 C ATOM 1520 CG LEU B 45 80.681 -16.280 43.497 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.432 -17.073 43.893 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.311 -14.795 43.320 1.00 0.00 C ATOM 0 H LEU B 45 83.150 -17.203 42.642 1.00 0.00 H new ATOM 0 HA LEU B 45 82.843 -14.648 44.078 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.947 -17.488 44.771 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.377 -16.015 45.529 1.00 0.00 H new ATOM 0 HG LEU B 45 81.078 -16.661 42.556 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.673 -16.968 43.118 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.690 -18.126 44.007 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.042 -16.691 44.836 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.555 -14.699 42.540 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.917 -14.404 44.258 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.199 -14.230 43.036 1.00 0.00 H new