USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -2.12! K(o=-3.8!,f=-5.3) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.63 K(o=-3.8,f=-4.4) USER MOD Set 2.1: B 14 LYS NZ :NH3+ -122:sc= 1.02 (180deg=-0.697) USER MOD Set 2.2: B 15 TYR OH : rot -29:sc= 1.19 USER MOD Set 3.1: A 14 LYS NZ :NH3+ -119:sc= 0.994 (180deg=-0.692) USER MOD Set 3.2: A 15 TYR OH : rot -18:sc= 1.19 USER MOD Single : A 1 PHE N :NH3+ 145:sc= 1.22 (180deg=0.226) USER MOD Single : A 7 LYS NZ :NH3+ -150:sc= -0.246 (180deg=-1.11) USER MOD Single : A 9 GLN : amide:sc= -0.0135 K(o=-0.014,f=-1.3!) USER MOD Single : A 16 HIS : no HE2:sc= -0.884 K(o=-0.88,f=-1.9) USER MOD Single : A 17 SER OG : rot -19:sc= 0.819 USER MOD Single : A 18 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -163:sc= -0.347 (180deg=-1.04) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc=-0.00177 F(o=-0.74,f=-0.0018) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 75:sc= 0.134 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0276 (180deg=-0.446) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0103 (180deg=-0.228) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 1.22 (180deg=0.201) USER MOD Single : B 7 LYS NZ :NH3+ -150:sc= -0.195 (180deg=-1.02) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 16 HIS : no HE2:sc= -0.947 K(o=-0.95,f=-2) USER MOD Single : B 17 SER OG : rot -22:sc= 0.962 USER MOD Single : B 18 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.9!) USER MOD Single : B 22 MET CE :methyl -164:sc= -0.357 (180deg=-1.01) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc=-0.00936 F(o=-0.76,f=-0.0094) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 73:sc= 0.172 USER MOD Single : B 42 LYS NZ :NH3+ 161:sc= -0.0424 (180deg=-0.502) USER MOD Single : B 46 LYS NZ :NH3+ -162:sc= -0.0132 (180deg=-0.216) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.438 -4.493 24.546 1.00 0.00 N ATOM 2 CA PHE A 1 95.206 -3.636 25.495 1.00 0.00 C ATOM 3 C PHE A 1 95.179 -2.194 24.997 1.00 0.00 C ATOM 4 O PHE A 1 96.203 -1.600 24.720 1.00 0.00 O ATOM 5 CB PHE A 1 96.651 -4.111 25.551 1.00 0.00 C ATOM 6 CG PHE A 1 96.696 -5.618 25.661 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.480 -6.240 26.897 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.964 -6.394 24.525 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.535 -7.639 26.994 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.019 -7.789 24.625 1.00 0.00 C ATOM 11 CZ PHE A 1 96.806 -8.411 25.858 1.00 0.00 C ATOM 0 H1 PHE A 1 94.886 -5.429 24.483 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.461 -4.599 24.887 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.431 -4.049 23.606 1.00 0.00 H new ATOM 0 HA PHE A 1 94.759 -3.699 26.487 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.184 -3.787 24.657 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.158 -3.661 26.404 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.272 -5.644 27.774 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.128 -5.915 23.571 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.368 -8.121 27.946 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.226 -8.385 23.749 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.850 -9.487 25.935 1.00 0.00 H new ATOM 23 N LEU A 2 94.014 -1.642 24.864 1.00 0.00 N ATOM 24 CA LEU A 2 93.886 -0.241 24.360 1.00 0.00 C ATOM 25 C LEU A 2 93.688 0.731 25.516 1.00 0.00 C ATOM 26 O LEU A 2 93.014 0.442 26.478 1.00 0.00 O ATOM 27 CB LEU A 2 92.687 -0.155 23.410 1.00 0.00 C ATOM 28 CG LEU A 2 92.858 -1.160 22.259 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.639 -1.084 21.331 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.133 -0.837 21.459 1.00 0.00 C ATOM 0 H LEU A 2 93.130 -2.101 25.084 1.00 0.00 H new ATOM 0 HA LEU A 2 94.801 0.028 23.833 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.766 -0.365 23.953 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.599 0.856 23.012 1.00 0.00 H new ATOM 0 HG LEU A 2 92.944 -2.165 22.673 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.759 -1.796 20.514 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.737 -1.326 21.894 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.554 -0.076 20.924 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.244 -1.555 20.646 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.059 0.169 21.047 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.000 -0.896 22.117 1.00 0.00 H new ATOM 42 N ASP A 3 94.256 1.898 25.415 1.00 0.00 N ATOM 43 CA ASP A 3 94.078 2.900 26.497 1.00 0.00 C ATOM 44 C ASP A 3 92.585 3.179 26.609 1.00 0.00 C ATOM 45 O ASP A 3 92.045 3.317 27.689 1.00 0.00 O ATOM 46 CB ASP A 3 94.828 4.189 26.143 1.00 0.00 C ATOM 47 CG ASP A 3 94.646 5.221 27.259 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.635 5.161 27.939 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.523 6.056 27.415 1.00 0.00 O ATOM 0 H ASP A 3 94.835 2.200 24.631 1.00 0.00 H new ATOM 0 HA ASP A 3 94.474 2.527 27.442 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.888 3.976 26.002 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.455 4.590 25.201 1.00 0.00 H new ATOM 54 N GLY A 4 91.906 3.237 25.495 1.00 0.00 N ATOM 55 CA GLY A 4 90.437 3.477 25.532 1.00 0.00 C ATOM 56 C GLY A 4 89.806 2.538 26.565 1.00 0.00 C ATOM 57 O GLY A 4 88.690 2.741 27.002 1.00 0.00 O ATOM 0 H GLY A 4 92.306 3.129 24.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.231 4.515 25.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.002 3.302 24.548 1.00 0.00 H new ATOM 61 N ILE A 5 90.521 1.519 26.973 1.00 0.00 N ATOM 62 CA ILE A 5 89.967 0.587 27.995 1.00 0.00 C ATOM 63 C ILE A 5 89.668 1.379 29.268 1.00 0.00 C ATOM 64 O ILE A 5 88.646 1.197 29.899 1.00 0.00 O ATOM 65 CB ILE A 5 90.979 -0.531 28.289 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.049 -1.484 27.096 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.547 -1.314 29.535 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.254 -2.418 27.258 1.00 0.00 C ATOM 0 H ILE A 5 91.460 1.295 26.643 1.00 0.00 H new ATOM 0 HA ILE A 5 89.050 0.130 27.624 1.00 0.00 H new ATOM 0 HB ILE A 5 91.959 -0.086 28.464 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.130 -2.067 27.028 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.137 -0.917 26.169 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.270 -2.105 29.737 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.499 -0.640 30.390 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.565 -1.755 29.365 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.304 -3.098 26.407 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.169 -1.827 27.305 1.00 0.00 H new ATOM 0 HD13 ILE A 5 92.147 -2.994 28.177 1.00 0.00 H new ATOM 80 N ASP A 6 90.542 2.273 29.638 1.00 0.00 N ATOM 81 CA ASP A 6 90.296 3.094 30.855 1.00 0.00 C ATOM 82 C ASP A 6 89.005 3.887 30.654 1.00 0.00 C ATOM 83 O ASP A 6 88.203 4.034 31.554 1.00 0.00 O ATOM 84 CB ASP A 6 91.466 4.054 31.081 1.00 0.00 C ATOM 85 CG ASP A 6 92.702 3.264 31.517 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.540 2.124 31.922 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.790 3.810 31.438 1.00 0.00 O ATOM 0 H ASP A 6 91.416 2.470 29.150 1.00 0.00 H new ATOM 0 HA ASP A 6 90.203 2.447 31.727 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.679 4.606 30.165 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.205 4.789 31.842 1.00 0.00 H new ATOM 92 N LYS A 7 88.802 4.392 29.469 1.00 0.00 N ATOM 93 CA LYS A 7 87.567 5.174 29.182 1.00 0.00 C ATOM 94 C LYS A 7 86.345 4.276 29.380 1.00 0.00 C ATOM 95 O LYS A 7 85.324 4.701 29.882 1.00 0.00 O ATOM 96 CB LYS A 7 87.604 5.669 27.731 1.00 0.00 C ATOM 97 CG LYS A 7 86.383 6.560 27.458 1.00 0.00 C ATOM 98 CD LYS A 7 86.405 7.066 26.005 1.00 0.00 C ATOM 99 CE LYS A 7 87.305 8.302 25.881 1.00 0.00 C ATOM 100 NZ LYS A 7 86.757 9.403 26.723 1.00 0.00 N ATOM 0 H LYS A 7 89.443 4.296 28.682 1.00 0.00 H new ATOM 0 HA LYS A 7 87.508 6.028 29.857 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.522 6.228 27.550 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.608 4.820 27.047 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.467 5.999 27.641 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.381 7.406 28.145 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.766 6.278 25.344 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.393 7.312 25.684 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.320 8.059 26.197 1.00 0.00 H new ATOM 0 HE3 LYS A 7 87.362 8.620 24.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.001 10.320 26.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.723 9.313 26.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.165 9.346 27.678 1.00 0.00 H new ATOM 114 N ALA A 8 86.439 3.040 28.977 1.00 0.00 N ATOM 115 CA ALA A 8 85.280 2.114 29.124 1.00 0.00 C ATOM 116 C ALA A 8 84.881 1.989 30.599 1.00 0.00 C ATOM 117 O ALA A 8 83.711 1.949 30.924 1.00 0.00 O ATOM 118 CB ALA A 8 85.652 0.735 28.580 1.00 0.00 C ATOM 0 H ALA A 8 87.270 2.629 28.551 1.00 0.00 H new ATOM 0 HA ALA A 8 84.437 2.516 28.562 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.803 0.060 28.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.916 0.819 27.526 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.502 0.341 29.137 1.00 0.00 H new ATOM 124 N GLN A 9 85.828 1.928 31.500 1.00 0.00 N ATOM 125 CA GLN A 9 85.456 1.806 32.942 1.00 0.00 C ATOM 126 C GLN A 9 84.617 3.016 33.350 1.00 0.00 C ATOM 127 O GLN A 9 83.617 2.892 34.028 1.00 0.00 O ATOM 128 CB GLN A 9 86.720 1.772 33.811 1.00 0.00 C ATOM 129 CG GLN A 9 87.471 0.456 33.607 1.00 0.00 C ATOM 130 CD GLN A 9 88.782 0.494 34.399 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.343 1.549 34.619 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.295 -0.621 34.845 1.00 0.00 N ATOM 0 H GLN A 9 86.829 1.957 31.304 1.00 0.00 H new ATOM 0 HA GLN A 9 84.890 0.886 33.084 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.367 2.611 33.556 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.450 1.885 34.861 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.857 -0.382 33.938 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.677 0.302 32.548 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.826 -1.508 34.661 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.165 -0.605 35.377 1.00 0.00 H new ATOM 141 N GLU A 10 85.021 4.184 32.940 1.00 0.00 N ATOM 142 CA GLU A 10 84.258 5.413 33.296 1.00 0.00 C ATOM 143 C GLU A 10 82.845 5.343 32.713 1.00 0.00 C ATOM 144 O GLU A 10 81.884 5.743 33.339 1.00 0.00 O ATOM 145 CB GLU A 10 84.988 6.635 32.737 1.00 0.00 C ATOM 146 CG GLU A 10 86.285 6.844 33.519 1.00 0.00 C ATOM 147 CD GLU A 10 87.060 8.021 32.924 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.564 8.619 31.984 1.00 0.00 O ATOM 149 OE2 GLU A 10 88.136 8.306 33.422 1.00 0.00 O ATOM 0 H GLU A 10 85.852 4.342 32.370 1.00 0.00 H new ATOM 0 HA GLU A 10 84.185 5.492 34.381 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.206 6.491 31.679 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.355 7.519 32.815 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.062 7.036 34.568 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.893 5.940 33.483 1.00 0.00 H new ATOM 156 N GLU A 11 82.713 4.849 31.510 1.00 0.00 N ATOM 157 CA GLU A 11 81.363 4.764 30.869 1.00 0.00 C ATOM 158 C GLU A 11 80.737 3.394 31.139 1.00 0.00 C ATOM 159 O GLU A 11 79.711 3.053 30.584 1.00 0.00 O ATOM 160 CB GLU A 11 81.508 4.964 29.359 1.00 0.00 C ATOM 161 CG GLU A 11 81.883 6.419 29.071 1.00 0.00 C ATOM 162 CD GLU A 11 82.029 6.621 27.561 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.991 5.635 26.846 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.181 7.759 27.149 1.00 0.00 O ATOM 0 H GLU A 11 83.483 4.499 30.940 1.00 0.00 H new ATOM 0 HA GLU A 11 80.720 5.538 31.287 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.273 4.295 28.965 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.574 4.712 28.857 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.118 7.087 29.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.817 6.671 29.574 1.00 0.00 H new ATOM 171 N CYS A 12 81.338 2.605 31.985 1.00 0.00 N ATOM 172 CA CYS A 12 80.761 1.263 32.281 1.00 0.00 C ATOM 173 C CYS A 12 79.282 1.420 32.645 1.00 0.00 C ATOM 174 O CYS A 12 78.446 0.631 32.252 1.00 0.00 O ATOM 175 CB CYS A 12 81.511 0.629 33.456 1.00 0.00 C ATOM 176 SG CYS A 12 80.912 -1.063 33.711 1.00 0.00 S ATOM 0 H CYS A 12 82.200 2.829 32.483 1.00 0.00 H new ATOM 0 HA CYS A 12 80.858 0.623 31.404 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.582 0.621 33.256 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.360 1.220 34.359 1.00 0.00 H new ATOM 181 N GLU A 13 78.958 2.435 33.397 1.00 0.00 N ATOM 182 CA GLU A 13 77.539 2.656 33.795 1.00 0.00 C ATOM 183 C GLU A 13 76.666 2.860 32.552 1.00 0.00 C ATOM 184 O GLU A 13 75.550 2.383 32.482 1.00 0.00 O ATOM 185 CB GLU A 13 77.456 3.894 34.689 1.00 0.00 C ATOM 186 CG GLU A 13 78.105 3.584 36.038 1.00 0.00 C ATOM 187 CD GLU A 13 78.028 4.817 36.940 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.359 5.764 36.560 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.639 4.793 37.995 1.00 0.00 O ATOM 0 H GLU A 13 79.619 3.125 33.755 1.00 0.00 H new ATOM 0 HA GLU A 13 77.178 1.782 34.338 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.961 4.735 34.214 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.415 4.186 34.831 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.599 2.742 36.511 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.145 3.291 35.894 1.00 0.00 H new ATOM 196 N LYS A 14 77.156 3.575 31.572 1.00 0.00 N ATOM 197 CA LYS A 14 76.338 3.817 30.347 1.00 0.00 C ATOM 198 C LYS A 14 76.032 2.483 29.662 1.00 0.00 C ATOM 199 O LYS A 14 74.938 2.260 29.182 1.00 0.00 O ATOM 200 CB LYS A 14 77.110 4.725 29.383 1.00 0.00 C ATOM 201 CG LYS A 14 76.229 5.046 28.166 1.00 0.00 C ATOM 202 CD LYS A 14 76.874 6.147 27.308 1.00 0.00 C ATOM 203 CE LYS A 14 77.970 5.557 26.413 1.00 0.00 C ATOM 204 NZ LYS A 14 77.361 4.593 25.454 1.00 0.00 N ATOM 0 H LYS A 14 78.083 4.000 31.567 1.00 0.00 H new ATOM 0 HA LYS A 14 75.403 4.302 30.628 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.401 5.646 29.888 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.029 4.234 29.061 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.086 4.147 27.566 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.242 5.368 28.499 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.114 6.629 26.693 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.298 6.917 27.952 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.480 6.353 25.871 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.721 5.055 27.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.766 3.648 25.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.332 4.558 25.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.559 4.900 24.480 1.00 0.00 H new ATOM 218 N TYR A 15 76.985 1.589 29.617 1.00 0.00 N ATOM 219 CA TYR A 15 76.738 0.267 28.969 1.00 0.00 C ATOM 220 C TYR A 15 76.179 -0.702 30.009 1.00 0.00 C ATOM 221 O TYR A 15 75.637 -1.737 29.677 1.00 0.00 O ATOM 222 CB TYR A 15 78.052 -0.282 28.409 1.00 0.00 C ATOM 223 CG TYR A 15 78.469 0.555 27.227 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.903 0.319 25.969 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.412 1.577 27.390 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.280 1.103 24.873 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.789 2.362 26.294 1.00 0.00 C ATOM 228 CZ TYR A 15 79.223 2.125 25.035 1.00 0.00 C ATOM 229 OH TYR A 15 79.594 2.900 23.956 1.00 0.00 O ATOM 0 H TYR A 15 77.922 1.717 30.000 1.00 0.00 H new ATOM 0 HA TYR A 15 76.023 0.384 28.155 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.826 -0.262 29.176 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.928 -1.322 28.109 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.175 -0.469 25.844 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.848 1.760 28.361 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.844 0.920 23.902 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.516 3.150 26.419 1.00 0.00 H new ATOM 0 HH TYR A 15 79.346 2.444 23.125 1.00 0.00 H new ATOM 239 N HIS A 16 76.303 -0.366 31.266 1.00 0.00 N ATOM 240 CA HIS A 16 75.771 -1.250 32.343 1.00 0.00 C ATOM 241 C HIS A 16 76.411 -2.637 32.236 1.00 0.00 C ATOM 242 O HIS A 16 77.601 -2.767 32.028 1.00 0.00 O ATOM 243 CB HIS A 16 74.246 -1.362 32.221 1.00 0.00 C ATOM 244 CG HIS A 16 73.638 0.013 32.275 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.469 0.790 31.138 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.152 0.763 33.319 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.902 1.950 31.520 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.689 1.981 32.837 1.00 0.00 N ATOM 0 H HIS A 16 76.753 0.489 31.594 1.00 0.00 H new ATOM 0 HA HIS A 16 76.016 -0.820 33.314 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.980 -1.853 31.285 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.850 -1.979 33.028 1.00 0.00 H new ATOM 0 HD1 HIS A 16 73.727 0.530 30.186 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.133 0.454 34.354 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.651 2.755 30.845 1.00 0.00 H new ATOM 257 N SER A 17 75.630 -3.674 32.388 1.00 0.00 N ATOM 258 CA SER A 17 76.189 -5.056 32.308 1.00 0.00 C ATOM 259 C SER A 17 76.230 -5.528 30.849 1.00 0.00 C ATOM 260 O SER A 17 76.656 -6.629 30.561 1.00 0.00 O ATOM 261 CB SER A 17 75.310 -6.003 33.125 1.00 0.00 C ATOM 262 OG SER A 17 75.775 -7.337 32.957 1.00 0.00 O ATOM 0 H SER A 17 74.627 -3.623 32.565 1.00 0.00 H new ATOM 0 HA SER A 17 77.203 -5.054 32.707 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.338 -5.726 34.179 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.272 -5.924 32.802 1.00 0.00 H new ATOM 0 HG SER A 17 76.335 -7.390 32.155 1.00 0.00 H new ATOM 268 N ASN A 18 75.795 -4.711 29.925 1.00 0.00 N ATOM 269 CA ASN A 18 75.822 -5.132 28.493 1.00 0.00 C ATOM 270 C ASN A 18 77.227 -4.922 27.926 1.00 0.00 C ATOM 271 O ASN A 18 77.478 -3.983 27.198 1.00 0.00 O ATOM 272 CB ASN A 18 74.829 -4.290 27.685 1.00 0.00 C ATOM 273 CG ASN A 18 73.397 -4.683 28.048 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.162 -5.754 28.571 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.421 -3.858 27.784 1.00 0.00 N ATOM 0 H ASN A 18 75.425 -3.777 30.098 1.00 0.00 H new ATOM 0 HA ASN A 18 75.548 -6.185 28.426 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.987 -3.231 27.888 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.997 -4.438 26.618 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.461 -4.112 28.017 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.618 -2.959 27.345 1.00 0.00 H new ATOM 282 N TRP A 19 78.146 -5.792 28.246 1.00 0.00 N ATOM 283 CA TRP A 19 79.528 -5.636 27.717 1.00 0.00 C ATOM 284 C TRP A 19 79.539 -5.920 26.214 1.00 0.00 C ATOM 285 O TRP A 19 80.379 -5.429 25.487 1.00 0.00 O ATOM 286 CB TRP A 19 80.468 -6.610 28.429 1.00 0.00 C ATOM 287 CG TRP A 19 80.012 -8.014 28.198 1.00 0.00 C ATOM 288 CD1 TRP A 19 79.162 -8.692 29.000 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.361 -8.919 27.112 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.971 -9.960 28.481 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.688 -10.148 27.316 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.188 -8.797 25.982 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.834 -11.217 26.430 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.336 -9.869 25.089 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.660 -11.078 25.312 1.00 0.00 C ATOM 0 H TRP A 19 77.999 -6.601 28.849 1.00 0.00 H new ATOM 0 HA TRP A 19 79.866 -4.615 27.895 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.486 -6.483 28.060 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.488 -6.395 29.497 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.706 -8.307 29.900 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.374 -10.669 28.907 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.713 -7.871 25.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.312 -12.145 26.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.974 -9.763 24.224 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.778 -11.899 24.621 1.00 0.00 H new ATOM 306 N ARG A 20 78.615 -6.713 25.740 1.00 0.00 N ATOM 307 CA ARG A 20 78.582 -7.024 24.283 1.00 0.00 C ATOM 308 C ARG A 20 78.401 -5.738 23.475 1.00 0.00 C ATOM 309 O ARG A 20 79.019 -5.549 22.446 1.00 0.00 O ATOM 310 CB ARG A 20 77.421 -7.973 23.984 1.00 0.00 C ATOM 311 CG ARG A 20 77.721 -9.356 24.568 1.00 0.00 C ATOM 312 CD ARG A 20 76.557 -10.301 24.265 1.00 0.00 C ATOM 313 NE ARG A 20 76.849 -11.648 24.834 1.00 0.00 N ATOM 314 CZ ARG A 20 75.898 -12.536 24.936 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.684 -12.240 24.561 1.00 0.00 N ATOM 316 NH2 ARG A 20 76.162 -13.723 25.413 1.00 0.00 N ATOM 0 H ARG A 20 77.885 -7.157 26.297 1.00 0.00 H new ATOM 0 HA ARG A 20 79.524 -7.496 24.003 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.498 -7.580 24.411 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.268 -8.048 22.907 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.644 -9.750 24.142 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.873 -9.283 25.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.634 -9.907 24.691 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.405 -10.374 23.188 1.00 0.00 H new ATOM 0 HE ARG A 20 77.794 -11.876 25.144 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.477 -11.314 24.188 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.942 -12.935 24.641 1.00 0.00 H new ATOM 0 HH21 ARG A 20 77.111 -13.956 25.706 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.419 -14.417 25.493 1.00 0.00 H new ATOM 330 N ALA A 21 77.563 -4.849 23.932 1.00 0.00 N ATOM 331 CA ALA A 21 77.351 -3.577 23.184 1.00 0.00 C ATOM 332 C ALA A 21 78.645 -2.767 23.214 1.00 0.00 C ATOM 333 O ALA A 21 79.097 -2.252 22.211 1.00 0.00 O ATOM 334 CB ALA A 21 76.230 -2.774 23.847 1.00 0.00 C ATOM 0 H ALA A 21 77.017 -4.947 24.788 1.00 0.00 H new ATOM 0 HA ALA A 21 77.073 -3.795 22.153 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.076 -1.844 23.300 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.310 -3.358 23.837 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.505 -2.547 24.877 1.00 0.00 H new ATOM 340 N MET A 22 79.247 -2.663 24.364 1.00 0.00 N ATOM 341 CA MET A 22 80.520 -1.903 24.479 1.00 0.00 C ATOM 342 C MET A 22 81.571 -2.545 23.569 1.00 0.00 C ATOM 343 O MET A 22 82.251 -1.875 22.820 1.00 0.00 O ATOM 344 CB MET A 22 80.988 -1.950 25.939 1.00 0.00 C ATOM 345 CG MET A 22 82.193 -1.023 26.149 1.00 0.00 C ATOM 346 SD MET A 22 83.681 -1.739 25.399 1.00 0.00 S ATOM 347 CE MET A 22 84.047 -2.976 26.670 1.00 0.00 C ATOM 0 H MET A 22 78.910 -3.074 25.234 1.00 0.00 H new ATOM 0 HA MET A 22 80.374 -0.866 24.177 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.173 -1.651 26.598 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.257 -2.972 26.208 1.00 0.00 H new ATOM 0 HG2 MET A 22 81.990 -0.047 25.708 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.356 -0.864 27.215 1.00 0.00 H new ATOM 0 HE1 MET A 22 85.076 -3.318 26.559 1.00 0.00 H new ATOM 0 HE2 MET A 22 83.916 -2.533 27.657 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.370 -3.823 26.559 1.00 0.00 H new ATOM 357 N ALA A 23 81.709 -3.841 23.627 1.00 0.00 N ATOM 358 CA ALA A 23 82.719 -4.524 22.769 1.00 0.00 C ATOM 359 C ALA A 23 82.472 -4.161 21.306 1.00 0.00 C ATOM 360 O ALA A 23 83.395 -3.949 20.544 1.00 0.00 O ATOM 361 CB ALA A 23 82.598 -6.039 22.947 1.00 0.00 C ATOM 0 H ALA A 23 81.166 -4.457 24.232 1.00 0.00 H new ATOM 0 HA ALA A 23 83.720 -4.203 23.059 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.336 -6.539 22.320 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.774 -6.298 23.991 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.598 -6.361 22.657 1.00 0.00 H new ATOM 367 N SER A 24 81.235 -4.091 20.907 1.00 0.00 N ATOM 368 CA SER A 24 80.927 -3.746 19.493 1.00 0.00 C ATOM 369 C SER A 24 81.380 -2.311 19.201 1.00 0.00 C ATOM 370 O SER A 24 81.900 -2.020 18.143 1.00 0.00 O ATOM 371 CB SER A 24 79.422 -3.863 19.257 1.00 0.00 C ATOM 372 OG SER A 24 79.152 -3.726 17.868 1.00 0.00 O ATOM 0 H SER A 24 80.422 -4.258 21.500 1.00 0.00 H new ATOM 0 HA SER A 24 81.455 -4.432 18.831 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.060 -4.826 19.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.893 -3.094 19.820 1.00 0.00 H new ATOM 0 HG SER A 24 78.187 -3.802 17.713 1.00 0.00 H new ATOM 378 N ASP A 25 81.180 -1.413 20.126 1.00 0.00 N ATOM 379 CA ASP A 25 81.592 0.003 19.889 1.00 0.00 C ATOM 380 C ASP A 25 83.119 0.116 19.882 1.00 0.00 C ATOM 381 O ASP A 25 83.693 0.833 19.086 1.00 0.00 O ATOM 382 CB ASP A 25 81.027 0.887 21.002 1.00 0.00 C ATOM 383 CG ASP A 25 79.507 0.996 20.850 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.019 0.728 19.765 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.860 1.350 21.822 1.00 0.00 O ATOM 0 H ASP A 25 80.751 -1.596 21.033 1.00 0.00 H new ATOM 0 HA ASP A 25 81.206 0.328 18.923 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.276 0.466 21.976 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.479 1.878 20.958 1.00 0.00 H new ATOM 390 N PHE A 26 83.784 -0.584 20.759 1.00 0.00 N ATOM 391 CA PHE A 26 85.278 -0.519 20.804 1.00 0.00 C ATOM 392 C PHE A 26 85.859 -1.685 19.996 1.00 0.00 C ATOM 393 O PHE A 26 87.058 -1.828 19.868 1.00 0.00 O ATOM 394 CB PHE A 26 85.746 -0.607 22.259 1.00 0.00 C ATOM 395 CG PHE A 26 85.394 0.675 22.988 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.116 0.839 23.535 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.347 1.695 23.126 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.790 2.017 24.217 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.018 2.873 23.808 1.00 0.00 C ATOM 400 CZ PHE A 26 84.740 3.034 24.352 1.00 0.00 C ATOM 0 H PHE A 26 83.358 -1.201 21.450 1.00 0.00 H new ATOM 0 HA PHE A 26 85.621 0.422 20.374 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.275 -1.458 22.752 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.823 -0.773 22.295 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.380 0.055 23.431 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.334 1.572 22.706 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.804 2.141 24.639 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.752 3.658 23.914 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.487 3.944 24.876 1.00 0.00 H new ATOM 410 N ASN A 27 85.012 -2.508 19.436 1.00 0.00 N ATOM 411 CA ASN A 27 85.506 -3.656 18.619 1.00 0.00 C ATOM 412 C ASN A 27 86.565 -4.438 19.397 1.00 0.00 C ATOM 413 O ASN A 27 87.587 -4.815 18.858 1.00 0.00 O ATOM 414 CB ASN A 27 86.116 -3.121 17.323 1.00 0.00 C ATOM 415 CG ASN A 27 85.027 -2.446 16.487 1.00 0.00 C ATOM 416 OD1 ASN A 27 83.856 -3.013 16.379 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.244 -1.391 15.926 1.00 0.00 N flip ATOM 0 H ASN A 27 83.997 -2.435 19.509 1.00 0.00 H new ATOM 0 HA ASN A 27 84.673 -4.321 18.391 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.910 -2.409 17.549 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.570 -3.936 16.759 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.159 -0.947 16.010 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.512 -0.948 15.371 1.00 0.00 H new ATOM 424 N LEU A 28 86.330 -4.684 20.660 1.00 0.00 N ATOM 425 CA LEU A 28 87.322 -5.440 21.490 1.00 0.00 C ATOM 426 C LEU A 28 86.797 -6.863 21.769 1.00 0.00 C ATOM 427 O LEU A 28 85.747 -7.019 22.361 1.00 0.00 O ATOM 428 CB LEU A 28 87.495 -4.708 22.828 1.00 0.00 C ATOM 429 CG LEU A 28 88.456 -3.518 22.666 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.315 -2.586 23.876 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.918 -4.016 22.560 1.00 0.00 C ATOM 0 H LEU A 28 85.489 -4.393 21.157 1.00 0.00 H new ATOM 0 HA LEU A 28 88.271 -5.503 20.958 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.527 -4.356 23.186 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.882 -5.396 23.579 1.00 0.00 H new ATOM 0 HG LEU A 28 88.204 -2.979 21.753 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.994 -1.741 23.765 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.290 -2.222 23.937 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.561 -3.132 24.787 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.586 -3.162 22.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.182 -4.565 23.464 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.017 -4.672 21.695 1.00 0.00 H new ATOM 443 N PRO A 29 87.516 -7.902 21.382 1.00 0.00 N ATOM 444 CA PRO A 29 87.077 -9.301 21.650 1.00 0.00 C ATOM 445 C PRO A 29 86.561 -9.459 23.096 1.00 0.00 C ATOM 446 O PRO A 29 87.065 -8.820 23.997 1.00 0.00 O ATOM 447 CB PRO A 29 88.355 -10.117 21.440 1.00 0.00 C ATOM 448 CG PRO A 29 89.121 -9.357 20.408 1.00 0.00 C ATOM 449 CD PRO A 29 88.799 -7.875 20.647 1.00 0.00 C ATOM 0 HA PRO A 29 86.254 -9.615 21.008 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.922 -10.211 22.366 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.129 -11.128 21.101 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.191 -9.543 20.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.830 -9.662 19.403 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.581 -7.385 21.227 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.710 -7.329 19.708 1.00 0.00 H new ATOM 457 N PRO A 30 85.569 -10.287 23.326 1.00 0.00 N ATOM 458 CA PRO A 30 85.010 -10.492 24.692 1.00 0.00 C ATOM 459 C PRO A 30 86.088 -10.577 25.787 1.00 0.00 C ATOM 460 O PRO A 30 85.808 -10.380 26.952 1.00 0.00 O ATOM 461 CB PRO A 30 84.261 -11.825 24.580 1.00 0.00 C ATOM 462 CG PRO A 30 83.857 -11.940 23.140 1.00 0.00 C ATOM 463 CD PRO A 30 84.869 -11.116 22.324 1.00 0.00 C ATOM 0 HA PRO A 30 84.383 -9.651 24.989 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.898 -12.659 24.876 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.389 -11.841 25.234 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.860 -12.982 22.820 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.845 -11.564 22.992 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.565 -11.761 21.788 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.368 -10.498 21.579 1.00 0.00 H new ATOM 471 N VAL A 31 87.305 -10.892 25.436 1.00 0.00 N ATOM 472 CA VAL A 31 88.366 -11.011 26.482 1.00 0.00 C ATOM 473 C VAL A 31 88.509 -9.693 27.247 1.00 0.00 C ATOM 474 O VAL A 31 88.381 -9.647 28.454 1.00 0.00 O ATOM 475 CB VAL A 31 89.703 -11.351 25.814 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.855 -11.237 26.828 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.648 -12.779 25.268 1.00 0.00 C ATOM 0 H VAL A 31 87.611 -11.071 24.480 1.00 0.00 H new ATOM 0 HA VAL A 31 88.085 -11.800 27.180 1.00 0.00 H new ATOM 0 HB VAL A 31 89.879 -10.648 25.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.797 -11.482 26.337 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.901 -10.219 27.214 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.684 -11.930 27.652 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.598 -13.023 24.792 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.462 -13.475 26.086 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.845 -12.858 24.536 1.00 0.00 H new ATOM 487 N VAL A 32 88.790 -8.628 26.554 1.00 0.00 N ATOM 488 CA VAL A 32 88.961 -7.316 27.239 1.00 0.00 C ATOM 489 C VAL A 32 87.611 -6.818 27.764 1.00 0.00 C ATOM 490 O VAL A 32 87.518 -6.290 28.854 1.00 0.00 O ATOM 491 CB VAL A 32 89.543 -6.310 26.240 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.502 -4.896 26.827 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.994 -6.688 25.920 1.00 0.00 C ATOM 0 H VAL A 32 88.909 -8.608 25.541 1.00 0.00 H new ATOM 0 HA VAL A 32 89.639 -7.427 28.085 1.00 0.00 H new ATOM 0 HB VAL A 32 88.947 -6.332 25.328 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.918 -4.191 26.107 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.470 -4.623 27.047 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.089 -4.866 27.745 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.408 -5.973 25.209 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.584 -6.673 26.836 1.00 0.00 H new ATOM 0 HG23 VAL A 32 91.022 -7.688 25.487 1.00 0.00 H new ATOM 503 N ALA A 33 86.563 -6.978 27.002 1.00 0.00 N ATOM 504 CA ALA A 33 85.227 -6.503 27.465 1.00 0.00 C ATOM 505 C ALA A 33 84.831 -7.240 28.746 1.00 0.00 C ATOM 506 O ALA A 33 84.470 -6.634 29.736 1.00 0.00 O ATOM 507 CB ALA A 33 84.191 -6.773 26.373 1.00 0.00 C ATOM 0 H ALA A 33 86.574 -7.416 26.081 1.00 0.00 H new ATOM 0 HA ALA A 33 85.271 -5.433 27.670 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.212 -6.428 26.706 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.473 -6.241 25.464 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.148 -7.843 26.169 1.00 0.00 H new ATOM 513 N LYS A 34 84.910 -8.539 28.742 1.00 0.00 N ATOM 514 CA LYS A 34 84.556 -9.314 29.964 1.00 0.00 C ATOM 515 C LYS A 34 85.466 -8.896 31.116 1.00 0.00 C ATOM 516 O LYS A 34 85.050 -8.807 32.253 1.00 0.00 O ATOM 517 CB LYS A 34 84.730 -10.812 29.705 1.00 0.00 C ATOM 518 CG LYS A 34 83.598 -11.321 28.810 1.00 0.00 C ATOM 519 CD LYS A 34 83.785 -12.822 28.558 1.00 0.00 C ATOM 520 CE LYS A 34 82.583 -13.378 27.787 1.00 0.00 C ATOM 521 NZ LYS A 34 81.469 -13.648 28.738 1.00 0.00 N ATOM 0 H LYS A 34 85.205 -9.101 27.943 1.00 0.00 H new ATOM 0 HA LYS A 34 83.516 -9.111 30.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.693 -10.998 29.229 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.731 -11.356 30.650 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.634 -11.138 29.284 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.596 -10.780 27.864 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.701 -12.993 27.992 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.894 -13.348 29.507 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.263 -12.665 27.027 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.862 -14.294 27.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.652 -14.026 28.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.779 -14.343 29.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.198 -12.764 29.215 1.00 0.00 H new ATOM 535 N GLU A 35 86.715 -8.667 30.831 1.00 0.00 N ATOM 536 CA GLU A 35 87.669 -8.284 31.907 1.00 0.00 C ATOM 537 C GLU A 35 87.224 -6.986 32.585 1.00 0.00 C ATOM 538 O GLU A 35 87.320 -6.846 33.788 1.00 0.00 O ATOM 539 CB GLU A 35 89.059 -8.090 31.299 1.00 0.00 C ATOM 540 CG GLU A 35 90.091 -7.900 32.416 1.00 0.00 C ATOM 541 CD GLU A 35 90.031 -6.464 32.949 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.702 -5.576 32.181 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.316 -6.279 34.121 1.00 0.00 O ATOM 0 H GLU A 35 87.118 -8.729 29.896 1.00 0.00 H new ATOM 0 HA GLU A 35 87.694 -9.076 32.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.324 -8.954 30.690 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.060 -7.223 30.639 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.897 -8.605 33.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.091 -8.115 32.039 1.00 0.00 H new ATOM 550 N ILE A 36 86.739 -6.034 31.838 1.00 0.00 N ATOM 551 CA ILE A 36 86.301 -4.759 32.472 1.00 0.00 C ATOM 552 C ILE A 36 85.171 -5.058 33.460 1.00 0.00 C ATOM 553 O ILE A 36 85.127 -4.521 34.549 1.00 0.00 O ATOM 554 CB ILE A 36 85.818 -3.798 31.388 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.995 -3.446 30.480 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.288 -2.520 32.036 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.485 -2.702 29.250 1.00 0.00 C ATOM 0 H ILE A 36 86.627 -6.082 30.825 1.00 0.00 H new ATOM 0 HA ILE A 36 87.132 -4.298 33.007 1.00 0.00 H new ATOM 0 HB ILE A 36 85.023 -4.268 30.808 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.712 -2.828 31.020 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.519 -4.353 30.178 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.944 -1.835 31.261 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.458 -2.765 32.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.084 -2.047 32.611 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.325 -2.451 28.602 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.784 -3.335 28.706 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.981 -1.787 29.561 1.00 0.00 H new ATOM 569 N VAL A 37 84.276 -5.935 33.100 1.00 0.00 N ATOM 570 CA VAL A 37 83.168 -6.299 34.029 1.00 0.00 C ATOM 571 C VAL A 37 83.767 -7.006 35.247 1.00 0.00 C ATOM 572 O VAL A 37 83.351 -6.799 36.371 1.00 0.00 O ATOM 573 CB VAL A 37 82.197 -7.243 33.309 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.196 -7.823 34.313 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.439 -6.465 32.227 1.00 0.00 C ATOM 0 H VAL A 37 84.263 -6.417 32.201 1.00 0.00 H new ATOM 0 HA VAL A 37 82.630 -5.406 34.347 1.00 0.00 H new ATOM 0 HB VAL A 37 82.760 -8.056 32.851 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.509 -8.493 33.796 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.733 -8.377 35.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.633 -7.012 34.775 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.748 -7.134 31.714 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.880 -5.651 32.688 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.149 -6.056 31.508 1.00 0.00 H new ATOM 585 N ALA A 38 84.738 -7.847 35.022 1.00 0.00 N ATOM 586 CA ALA A 38 85.377 -8.588 36.146 1.00 0.00 C ATOM 587 C ALA A 38 86.002 -7.606 37.142 1.00 0.00 C ATOM 588 O ALA A 38 86.235 -7.940 38.287 1.00 0.00 O ATOM 589 CB ALA A 38 86.467 -9.512 35.590 1.00 0.00 C ATOM 0 H ALA A 38 85.120 -8.055 34.099 1.00 0.00 H new ATOM 0 HA ALA A 38 84.618 -9.177 36.660 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.936 -10.055 36.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.022 -10.221 34.892 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.219 -8.917 35.072 1.00 0.00 H new ATOM 595 N SER A 39 86.296 -6.405 36.718 1.00 0.00 N ATOM 596 CA SER A 39 86.925 -5.421 37.649 1.00 0.00 C ATOM 597 C SER A 39 85.840 -4.589 38.330 1.00 0.00 C ATOM 598 O SER A 39 85.928 -4.285 39.502 1.00 0.00 O ATOM 599 CB SER A 39 87.853 -4.501 36.854 1.00 0.00 C ATOM 600 OG SER A 39 88.722 -5.289 36.050 1.00 0.00 O ATOM 0 H SER A 39 86.129 -6.063 35.772 1.00 0.00 H new ATOM 0 HA SER A 39 87.497 -5.952 38.409 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.267 -3.830 36.226 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.434 -3.877 37.533 1.00 0.00 H new ATOM 0 HG SER A 39 88.225 -5.648 35.286 1.00 0.00 H new ATOM 606 N CYS A 40 84.809 -4.228 37.618 1.00 0.00 N ATOM 607 CA CYS A 40 83.723 -3.433 38.254 1.00 0.00 C ATOM 608 C CYS A 40 83.136 -4.244 39.412 1.00 0.00 C ATOM 609 O CYS A 40 82.852 -5.417 39.275 1.00 0.00 O ATOM 610 CB CYS A 40 82.632 -3.132 37.228 1.00 0.00 C ATOM 611 SG CYS A 40 81.535 -1.849 37.880 1.00 0.00 S ATOM 0 H CYS A 40 84.672 -4.447 36.631 1.00 0.00 H new ATOM 0 HA CYS A 40 84.123 -2.490 38.626 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.080 -2.802 36.291 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.063 -4.036 37.009 1.00 0.00 H new ATOM 616 N ASP A 41 82.966 -3.639 40.553 1.00 0.00 N ATOM 617 CA ASP A 41 82.417 -4.390 41.719 1.00 0.00 C ATOM 618 C ASP A 41 80.894 -4.509 41.611 1.00 0.00 C ATOM 619 O ASP A 41 80.305 -5.459 42.088 1.00 0.00 O ATOM 620 CB ASP A 41 82.774 -3.646 43.006 1.00 0.00 C ATOM 621 CG ASP A 41 84.279 -3.761 43.256 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.864 -4.725 42.790 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.821 -2.881 43.902 1.00 0.00 O ATOM 0 H ASP A 41 83.183 -2.658 40.730 1.00 0.00 H new ATOM 0 HA ASP A 41 82.848 -5.391 41.730 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.486 -2.598 42.925 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.221 -4.065 43.847 1.00 0.00 H new ATOM 628 N LYS A 42 80.250 -3.549 41.012 1.00 0.00 N ATOM 629 CA LYS A 42 78.764 -3.606 40.903 1.00 0.00 C ATOM 630 C LYS A 42 78.346 -4.681 39.893 1.00 0.00 C ATOM 631 O LYS A 42 77.395 -5.407 40.107 1.00 0.00 O ATOM 632 CB LYS A 42 78.252 -2.241 40.441 1.00 0.00 C ATOM 633 CG LYS A 42 78.564 -1.193 41.514 1.00 0.00 C ATOM 634 CD LYS A 42 78.054 0.175 41.057 1.00 0.00 C ATOM 635 CE LYS A 42 78.365 1.223 42.128 1.00 0.00 C ATOM 636 NZ LYS A 42 79.843 1.367 42.272 1.00 0.00 N ATOM 0 H LYS A 42 80.686 -2.727 40.593 1.00 0.00 H new ATOM 0 HA LYS A 42 78.338 -3.857 41.874 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.723 -1.964 39.498 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.178 -2.285 40.261 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.093 -1.472 42.457 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.638 -1.151 41.694 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.525 0.453 40.114 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.980 0.132 40.877 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.921 2.180 41.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.924 0.927 43.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.061 2.278 42.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.212 0.592 42.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.288 1.331 41.333 1.00 0.00 H new ATOM 650 N CYS A 43 79.047 -4.793 38.796 1.00 0.00 N ATOM 651 CA CYS A 43 78.689 -5.825 37.776 1.00 0.00 C ATOM 652 C CYS A 43 79.362 -7.155 38.127 1.00 0.00 C ATOM 653 O CYS A 43 79.328 -8.101 37.364 1.00 0.00 O ATOM 654 CB CYS A 43 79.144 -5.362 36.390 1.00 0.00 C ATOM 655 SG CYS A 43 78.375 -3.769 36.006 1.00 0.00 S ATOM 0 H CYS A 43 79.853 -4.214 38.561 1.00 0.00 H new ATOM 0 HA CYS A 43 77.608 -5.963 37.769 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.230 -5.270 36.363 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.868 -6.102 35.639 1.00 0.00 H new ATOM 660 N GLN A 44 79.982 -7.232 39.275 1.00 0.00 N ATOM 661 CA GLN A 44 80.669 -8.495 39.678 1.00 0.00 C ATOM 662 C GLN A 44 79.641 -9.503 40.194 1.00 0.00 C ATOM 663 O GLN A 44 79.376 -10.511 39.568 1.00 0.00 O ATOM 664 CB GLN A 44 81.677 -8.186 40.792 1.00 0.00 C ATOM 665 CG GLN A 44 82.507 -9.436 41.119 1.00 0.00 C ATOM 666 CD GLN A 44 83.466 -9.738 39.970 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.576 -10.869 39.536 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.177 -8.773 39.458 1.00 0.00 N ATOM 0 H GLN A 44 80.043 -6.472 39.953 1.00 0.00 H new ATOM 0 HA GLN A 44 81.185 -8.917 38.816 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.335 -7.375 40.482 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.151 -7.846 41.684 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.068 -9.280 42.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.848 -10.287 41.287 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.086 -7.824 39.821 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.825 -8.967 38.694 1.00 0.00 H new ATOM 677 N LEU A 45 79.074 -9.247 41.337 1.00 0.00 N ATOM 678 CA LEU A 45 78.074 -10.195 41.907 1.00 0.00 C ATOM 679 C LEU A 45 76.699 -9.910 41.299 1.00 0.00 C ATOM 680 O LEU A 45 76.323 -8.772 41.097 1.00 0.00 O ATOM 681 CB LEU A 45 78.009 -10.003 43.423 1.00 0.00 C ATOM 682 CG LEU A 45 79.414 -10.130 44.027 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.327 -9.928 45.542 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.995 -11.524 43.727 1.00 0.00 C ATOM 0 H LEU A 45 79.259 -8.420 41.905 1.00 0.00 H new ATOM 0 HA LEU A 45 78.367 -11.220 41.678 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.591 -9.024 43.657 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.346 -10.747 43.864 1.00 0.00 H new ATOM 0 HG LEU A 45 80.065 -9.374 43.588 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.322 -10.017 45.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.925 -8.938 45.754 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.673 -10.686 45.973 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.992 -11.603 44.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.349 -12.288 44.160 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.055 -11.669 42.648 1.00 0.00 H new ATOM 696 N LYS A 46 75.944 -10.934 41.006 1.00 0.00 N ATOM 697 CA LYS A 46 74.596 -10.717 40.411 1.00 0.00 C ATOM 698 C LYS A 46 73.664 -10.142 41.483 1.00 0.00 C ATOM 699 O LYS A 46 72.817 -9.317 41.200 1.00 0.00 O ATOM 700 CB LYS A 46 74.044 -12.050 39.884 1.00 0.00 C ATOM 701 CG LYS A 46 72.679 -11.854 39.199 1.00 0.00 C ATOM 702 CD LYS A 46 72.845 -11.136 37.854 1.00 0.00 C ATOM 703 CE LYS A 46 71.537 -11.232 37.067 1.00 0.00 C ATOM 704 NZ LYS A 46 71.393 -12.605 36.508 1.00 0.00 N ATOM 0 H LYS A 46 76.203 -11.910 41.153 1.00 0.00 H new ATOM 0 HA LYS A 46 74.665 -10.015 39.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.750 -12.485 39.177 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.943 -12.756 40.708 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.202 -12.822 39.044 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.021 -11.275 39.847 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.110 -10.091 38.016 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.659 -11.586 37.286 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.692 -11.002 37.716 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.530 -10.497 36.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.703 -12.592 35.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.313 -12.932 36.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.062 -13.250 37.253 1.00 0.00 H new ATOM 718 N GLY A 47 73.820 -10.569 42.716 1.00 0.00 N ATOM 719 CA GLY A 47 72.955 -10.048 43.828 1.00 0.00 C ATOM 720 C GLY A 47 72.202 -11.200 44.504 1.00 0.00 C ATOM 721 O GLY A 47 71.651 -11.041 45.575 1.00 0.00 O ATOM 0 H GLY A 47 74.513 -11.260 43.002 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.570 -9.527 44.562 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.244 -9.322 43.434 1.00 0.00 H new ATOM 725 N GLU A 48 72.164 -12.356 43.894 1.00 0.00 N ATOM 726 CA GLU A 48 71.435 -13.503 44.519 1.00 0.00 C ATOM 727 C GLU A 48 72.359 -14.228 45.502 1.00 0.00 C ATOM 728 O GLU A 48 73.473 -14.588 45.173 1.00 0.00 O ATOM 729 CB GLU A 48 70.984 -14.484 43.432 1.00 0.00 C ATOM 730 CG GLU A 48 69.889 -13.835 42.583 1.00 0.00 C ATOM 731 CD GLU A 48 70.508 -12.726 41.734 1.00 0.00 C ATOM 732 OE1 GLU A 48 71.715 -12.745 41.567 1.00 0.00 O ATOM 733 OE2 GLU A 48 69.765 -11.881 41.261 1.00 0.00 O ATOM 0 H GLU A 48 72.603 -12.556 42.995 1.00 0.00 H new ATOM 0 HA GLU A 48 70.563 -13.123 45.051 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.830 -14.761 42.803 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.611 -15.401 43.887 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.418 -14.581 41.943 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.108 -13.426 43.224 1.00 0.00 H new ATOM 740 N ALA A 49 71.902 -14.451 46.703 1.00 0.00 N ATOM 741 CA ALA A 49 72.746 -15.157 47.707 1.00 0.00 C ATOM 742 C ALA A 49 71.868 -15.595 48.879 1.00 0.00 C ATOM 743 O ALA A 49 71.719 -16.770 49.156 1.00 0.00 O ATOM 744 CB ALA A 49 73.836 -14.209 48.215 1.00 0.00 C ATOM 0 H ALA A 49 70.978 -14.174 47.033 1.00 0.00 H new ATOM 0 HA ALA A 49 73.210 -16.030 47.248 1.00 0.00 H new ATOM 0 HB1 ALA A 49 74.454 -14.725 48.950 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.458 -13.888 47.379 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.373 -13.338 48.678 1.00 0.00 H new ATOM 750 N MET A 50 71.281 -14.656 49.567 1.00 0.00 N ATOM 751 CA MET A 50 70.406 -15.005 50.723 1.00 0.00 C ATOM 752 C MET A 50 69.053 -15.505 50.208 1.00 0.00 C ATOM 753 O MET A 50 68.512 -14.981 49.255 1.00 0.00 O ATOM 754 CB MET A 50 70.175 -13.761 51.583 1.00 0.00 C ATOM 755 CG MET A 50 71.504 -13.273 52.159 1.00 0.00 C ATOM 756 SD MET A 50 71.210 -11.802 53.172 1.00 0.00 S ATOM 757 CE MET A 50 72.924 -11.526 53.683 1.00 0.00 C ATOM 0 H MET A 50 71.369 -13.658 49.378 1.00 0.00 H new ATOM 0 HA MET A 50 70.889 -15.782 51.315 1.00 0.00 H new ATOM 0 HB2 MET A 50 69.717 -12.974 50.984 1.00 0.00 H new ATOM 0 HB3 MET A 50 69.481 -13.991 52.391 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.963 -14.057 52.761 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.200 -13.041 51.353 1.00 0.00 H new ATOM 0 HE1 MET A 50 72.975 -10.649 54.328 1.00 0.00 H new ATOM 0 HE2 MET A 50 73.286 -12.398 54.227 1.00 0.00 H new ATOM 0 HE3 MET A 50 73.545 -11.365 52.802 1.00 0.00 H new ATOM 767 N HIS A 51 68.496 -16.504 50.837 1.00 0.00 N ATOM 768 CA HIS A 51 67.171 -17.024 50.388 1.00 0.00 C ATOM 769 C HIS A 51 66.054 -16.214 51.045 1.00 0.00 C ATOM 770 O HIS A 51 66.144 -15.829 52.195 1.00 0.00 O ATOM 771 CB HIS A 51 67.037 -18.494 50.785 1.00 0.00 C ATOM 772 CG HIS A 51 67.960 -19.320 49.935 1.00 0.00 C ATOM 773 ND1 HIS A 51 69.297 -19.505 50.257 1.00 0.00 N ATOM 774 CD2 HIS A 51 67.756 -20.010 48.766 1.00 0.00 C ATOM 775 CE1 HIS A 51 69.841 -20.277 49.298 1.00 0.00 C ATOM 776 NE2 HIS A 51 68.944 -20.610 48.369 1.00 0.00 N ATOM 0 H HIS A 51 68.900 -16.983 51.642 1.00 0.00 H new ATOM 0 HA HIS A 51 67.095 -16.933 49.304 1.00 0.00 H new ATOM 0 HB2 HIS A 51 67.282 -18.622 51.839 1.00 0.00 H new ATOM 0 HB3 HIS A 51 66.007 -18.826 50.654 1.00 0.00 H new ATOM 0 HD2 HIS A 51 66.817 -20.076 48.237 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.875 -20.588 49.283 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.098 -21.185 47.541 1.00 0.00 H new ATOM 785 N GLY A 52 65.002 -15.949 50.321 1.00 0.00 N ATOM 786 CA GLY A 52 63.870 -15.160 50.890 1.00 0.00 C ATOM 787 C GLY A 52 63.166 -14.414 49.757 1.00 0.00 C ATOM 788 O GLY A 52 63.735 -14.187 48.708 1.00 0.00 O ATOM 0 H GLY A 52 64.876 -16.246 49.354 1.00 0.00 H new ATOM 0 HA2 GLY A 52 63.168 -15.821 51.399 1.00 0.00 H new ATOM 0 HA3 GLY A 52 64.239 -14.454 51.634 1.00 0.00 H new ATOM 792 N GLN A 53 61.934 -14.026 49.952 1.00 0.00 N ATOM 793 CA GLN A 53 61.215 -13.294 48.873 1.00 0.00 C ATOM 794 C GLN A 53 61.615 -11.818 48.918 1.00 0.00 C ATOM 795 O GLN A 53 61.417 -11.142 49.908 1.00 0.00 O ATOM 796 CB GLN A 53 59.703 -13.420 49.079 1.00 0.00 C ATOM 797 CG GLN A 53 58.975 -12.709 47.936 1.00 0.00 C ATOM 798 CD GLN A 53 57.475 -13.005 48.015 1.00 0.00 C ATOM 799 OE1 GLN A 53 57.004 -13.965 47.439 1.00 0.00 O ATOM 800 NE2 GLN A 53 56.701 -12.214 48.706 1.00 0.00 N ATOM 0 H GLN A 53 61.399 -14.183 50.806 1.00 0.00 H new ATOM 0 HA GLN A 53 61.480 -13.720 47.905 1.00 0.00 H new ATOM 0 HB2 GLN A 53 59.415 -14.471 49.111 1.00 0.00 H new ATOM 0 HB3 GLN A 53 59.417 -12.982 50.035 1.00 0.00 H new ATOM 0 HG2 GLN A 53 59.147 -11.634 47.996 1.00 0.00 H new ATOM 0 HG3 GLN A 53 59.371 -13.042 46.977 1.00 0.00 H new ATOM 0 HE21 GLN A 53 57.097 -11.408 49.190 1.00 0.00 H new ATOM 0 HE22 GLN A 53 55.700 -12.402 48.763 1.00 0.00 H new ATOM 809 N VAL A 54 62.178 -11.316 47.848 1.00 0.00 N ATOM 810 CA VAL A 54 62.598 -9.882 47.809 1.00 0.00 C ATOM 811 C VAL A 54 61.592 -9.097 46.969 1.00 0.00 C ATOM 812 O VAL A 54 61.380 -9.387 45.808 1.00 0.00 O ATOM 813 CB VAL A 54 63.986 -9.777 47.166 1.00 0.00 C ATOM 814 CG1 VAL A 54 64.437 -8.312 47.152 1.00 0.00 C ATOM 815 CG2 VAL A 54 64.986 -10.612 47.971 1.00 0.00 C ATOM 0 H VAL A 54 62.366 -11.842 46.994 1.00 0.00 H new ATOM 0 HA VAL A 54 62.635 -9.478 48.821 1.00 0.00 H new ATOM 0 HB VAL A 54 63.940 -10.151 46.143 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.424 -8.239 46.695 1.00 0.00 H new ATOM 0 HG12 VAL A 54 63.726 -7.718 46.578 1.00 0.00 H new ATOM 0 HG13 VAL A 54 64.482 -7.935 48.174 1.00 0.00 H new ATOM 0 HG21 VAL A 54 65.973 -10.538 47.514 1.00 0.00 H new ATOM 0 HG22 VAL A 54 65.031 -10.239 48.994 1.00 0.00 H new ATOM 0 HG23 VAL A 54 64.667 -11.654 47.978 1.00 0.00 H new ATOM 825 N ASP A 55 60.962 -8.106 47.544 1.00 0.00 N ATOM 826 CA ASP A 55 59.963 -7.305 46.776 1.00 0.00 C ATOM 827 C ASP A 55 59.949 -5.868 47.301 1.00 0.00 C ATOM 828 O ASP A 55 60.878 -5.507 48.005 1.00 0.00 O ATOM 829 CB ASP A 55 58.573 -7.922 46.948 1.00 0.00 C ATOM 830 CG ASP A 55 58.183 -7.899 48.427 1.00 0.00 C ATOM 831 OD1 ASP A 55 59.076 -7.793 49.253 1.00 0.00 O ATOM 832 OD2 ASP A 55 56.999 -7.982 48.709 1.00 0.00 O ATOM 833 OXT ASP A 55 59.011 -5.154 46.989 1.00 0.00 O ATOM 0 H ASP A 55 61.096 -7.817 48.513 1.00 0.00 H new ATOM 0 HA ASP A 55 60.233 -7.305 45.720 1.00 0.00 H new ATOM 0 HB2 ASP A 55 57.842 -7.367 46.360 1.00 0.00 H new ATOM 0 HB3 ASP A 55 58.570 -8.947 46.576 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.583 -12.076 23.606 1.00 0.00 N ATOM 840 CA PHE B 1 94.677 -12.967 22.825 1.00 0.00 C ATOM 841 C PHE B 1 95.480 -14.150 22.293 1.00 0.00 C ATOM 842 O PHE B 1 95.579 -14.365 21.101 1.00 0.00 O ATOM 843 CB PHE B 1 94.102 -12.195 21.644 1.00 0.00 C ATOM 844 CG PHE B 1 93.642 -10.827 22.092 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.410 -10.672 22.739 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.449 -9.708 21.851 1.00 0.00 C ATOM 847 CE1 PHE B 1 91.988 -9.395 23.142 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.026 -8.436 22.254 1.00 0.00 C ATOM 849 CZ PHE B 1 92.797 -8.281 22.898 1.00 0.00 C ATOM 0 H1 PHE B 1 95.444 -11.090 23.306 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.367 -12.163 24.620 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.571 -12.352 23.438 1.00 0.00 H new ATOM 0 HA PHE B 1 93.869 -13.318 23.466 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.856 -12.096 20.863 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.266 -12.745 21.212 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.786 -11.533 22.928 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.400 -9.827 21.353 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.038 -9.273 23.641 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.650 -7.575 22.067 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.471 -7.299 23.208 1.00 0.00 H new ATOM 861 N LEU B 2 96.065 -14.904 23.170 1.00 0.00 N ATOM 862 CA LEU B 2 96.890 -16.074 22.744 1.00 0.00 C ATOM 863 C LEU B 2 96.093 -17.366 22.868 1.00 0.00 C ATOM 864 O LEU B 2 95.324 -17.549 23.782 1.00 0.00 O ATOM 865 CB LEU B 2 98.137 -16.158 23.629 1.00 0.00 C ATOM 866 CG LEU B 2 98.923 -14.843 23.546 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.150 -14.926 24.461 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.376 -14.587 22.098 1.00 0.00 C ATOM 0 H LEU B 2 96.010 -14.763 24.179 1.00 0.00 H new ATOM 0 HA LEU B 2 97.179 -15.942 21.701 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.849 -16.355 24.661 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.766 -16.989 23.309 1.00 0.00 H new ATOM 0 HG LEU B 2 98.281 -14.022 23.866 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.710 -13.993 24.404 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.827 -15.093 25.489 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.786 -15.751 24.142 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.933 -13.651 22.051 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.014 -15.406 21.766 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.502 -14.522 21.449 1.00 0.00 H new ATOM 880 N ASP B 3 96.293 -18.274 21.957 1.00 0.00 N ATOM 881 CA ASP B 3 95.567 -19.566 22.034 1.00 0.00 C ATOM 882 C ASP B 3 95.953 -20.220 23.356 1.00 0.00 C ATOM 883 O ASP B 3 95.136 -20.811 24.034 1.00 0.00 O ATOM 884 CB ASP B 3 95.978 -20.465 20.862 1.00 0.00 C ATOM 885 CG ASP B 3 95.225 -21.797 20.941 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.858 -22.188 22.037 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.021 -22.401 19.900 1.00 0.00 O ATOM 0 H ASP B 3 96.927 -18.176 21.164 1.00 0.00 H new ATOM 0 HA ASP B 3 94.489 -19.412 21.980 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.759 -19.968 19.917 1.00 0.00 H new ATOM 0 HB3 ASP B 3 97.053 -20.642 20.887 1.00 0.00 H new ATOM 892 N GLY B 4 97.196 -20.098 23.739 1.00 0.00 N ATOM 893 CA GLY B 4 97.639 -20.689 25.032 1.00 0.00 C ATOM 894 C GLY B 4 96.646 -20.287 26.126 1.00 0.00 C ATOM 895 O GLY B 4 96.607 -20.874 27.189 1.00 0.00 O ATOM 0 H GLY B 4 97.923 -19.614 23.211 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.693 -21.775 24.952 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.640 -20.338 25.284 1.00 0.00 H new ATOM 899 N ILE B 5 95.827 -19.299 25.866 1.00 0.00 N ATOM 900 CA ILE B 5 94.823 -18.885 26.884 1.00 0.00 C ATOM 901 C ILE B 5 93.908 -20.074 27.179 1.00 0.00 C ATOM 902 O ILE B 5 93.577 -20.349 28.315 1.00 0.00 O ATOM 903 CB ILE B 5 94.004 -17.697 26.358 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.876 -16.440 26.342 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.790 -17.458 27.263 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.166 -15.335 25.549 1.00 0.00 C ATOM 0 H ILE B 5 95.812 -18.766 24.997 1.00 0.00 H new ATOM 0 HA ILE B 5 95.326 -18.575 27.800 1.00 0.00 H new ATOM 0 HB ILE B 5 93.663 -17.921 25.347 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.068 -16.105 27.361 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.844 -16.661 25.891 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.214 -16.614 26.884 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.163 -18.350 27.274 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.129 -17.240 28.276 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.787 -14.439 25.537 1.00 0.00 H new ATOM 0 HD12 ILE B 5 93.997 -15.672 24.526 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.209 -15.107 26.019 1.00 0.00 H new ATOM 918 N ASP B 6 93.515 -20.795 26.165 1.00 0.00 N ATOM 919 CA ASP B 6 92.644 -21.982 26.390 1.00 0.00 C ATOM 920 C ASP B 6 93.385 -22.966 27.295 1.00 0.00 C ATOM 921 O ASP B 6 92.813 -23.572 28.179 1.00 0.00 O ATOM 922 CB ASP B 6 92.314 -22.653 25.053 1.00 0.00 C ATOM 923 CG ASP B 6 91.372 -21.756 24.247 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.785 -20.864 24.836 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.257 -21.973 23.051 1.00 0.00 O ATOM 0 H ASP B 6 93.759 -20.613 25.191 1.00 0.00 H new ATOM 0 HA ASP B 6 91.712 -21.671 26.861 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.230 -22.835 24.490 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.849 -23.623 25.227 1.00 0.00 H new ATOM 930 N LYS B 7 94.662 -23.121 27.078 1.00 0.00 N ATOM 931 CA LYS B 7 95.462 -24.055 27.918 1.00 0.00 C ATOM 932 C LYS B 7 95.424 -23.582 29.374 1.00 0.00 C ATOM 933 O LYS B 7 95.360 -24.375 30.293 1.00 0.00 O ATOM 934 CB LYS B 7 96.914 -24.066 27.424 1.00 0.00 C ATOM 935 CG LYS B 7 97.723 -25.096 28.223 1.00 0.00 C ATOM 936 CD LYS B 7 99.184 -25.122 27.742 1.00 0.00 C ATOM 937 CE LYS B 7 99.325 -26.008 26.496 1.00 0.00 C ATOM 938 NZ LYS B 7 98.950 -27.411 26.837 1.00 0.00 N ATOM 0 H LYS B 7 95.188 -22.638 26.350 1.00 0.00 H new ATOM 0 HA LYS B 7 95.046 -25.060 27.848 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.945 -24.309 26.362 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.355 -23.076 27.537 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.687 -24.851 29.285 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.278 -26.085 28.109 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.516 -24.109 27.514 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.828 -25.498 28.537 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.686 -25.634 25.697 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.350 -25.974 26.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.487 -28.069 26.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.170 -27.596 27.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.932 -27.547 26.676 1.00 0.00 H new ATOM 952 N ALA B 8 95.480 -22.298 29.590 1.00 0.00 N ATOM 953 CA ALA B 8 95.465 -21.771 30.984 1.00 0.00 C ATOM 954 C ALA B 8 94.179 -22.199 31.702 1.00 0.00 C ATOM 955 O ALA B 8 94.203 -22.545 32.867 1.00 0.00 O ATOM 956 CB ALA B 8 95.550 -20.243 30.958 1.00 0.00 C ATOM 0 H ALA B 8 95.536 -21.588 28.860 1.00 0.00 H new ATOM 0 HA ALA B 8 96.322 -22.177 31.521 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.539 -19.861 31.979 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.474 -19.938 30.466 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.698 -19.840 30.410 1.00 0.00 H new ATOM 962 N GLN B 9 93.056 -22.186 31.033 1.00 0.00 N ATOM 963 CA GLN B 9 91.794 -22.599 31.717 1.00 0.00 C ATOM 964 C GLN B 9 91.934 -24.041 32.202 1.00 0.00 C ATOM 965 O GLN B 9 91.561 -24.376 33.309 1.00 0.00 O ATOM 966 CB GLN B 9 90.621 -22.527 30.733 1.00 0.00 C ATOM 967 CG GLN B 9 90.294 -21.070 30.404 1.00 0.00 C ATOM 968 CD GLN B 9 89.189 -21.025 29.346 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.063 -21.927 28.543 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.372 -20.007 29.317 1.00 0.00 N ATOM 0 H GLN B 9 92.957 -21.911 30.056 1.00 0.00 H new ATOM 0 HA GLN B 9 91.610 -21.932 32.559 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.870 -23.066 29.819 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.746 -23.015 31.163 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.973 -20.545 31.304 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.185 -20.559 30.038 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.477 -19.249 29.991 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.628 -19.970 28.620 1.00 0.00 H new ATOM 979 N GLU B 10 92.466 -24.894 31.376 1.00 0.00 N ATOM 980 CA GLU B 10 92.635 -26.320 31.771 1.00 0.00 C ATOM 981 C GLU B 10 93.568 -26.421 32.980 1.00 0.00 C ATOM 982 O GLU B 10 93.354 -27.213 33.876 1.00 0.00 O ATOM 983 CB GLU B 10 93.227 -27.100 30.597 1.00 0.00 C ATOM 984 CG GLU B 10 92.178 -27.215 29.491 1.00 0.00 C ATOM 985 CD GLU B 10 92.782 -27.933 28.285 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.937 -28.320 28.367 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.080 -28.088 27.299 1.00 0.00 O ATOM 0 H GLU B 10 92.794 -24.665 30.438 1.00 0.00 H new ATOM 0 HA GLU B 10 91.665 -26.739 32.038 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.116 -26.595 30.220 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.539 -28.092 30.924 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.309 -27.763 29.856 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.831 -26.223 29.200 1.00 0.00 H new ATOM 994 N GLU B 11 94.612 -25.636 33.007 1.00 0.00 N ATOM 995 CA GLU B 11 95.576 -25.694 34.151 1.00 0.00 C ATOM 996 C GLU B 11 95.192 -24.664 35.215 1.00 0.00 C ATOM 997 O GLU B 11 95.924 -24.433 36.156 1.00 0.00 O ATOM 998 CB GLU B 11 96.985 -25.389 33.640 1.00 0.00 C ATOM 999 CG GLU B 11 97.480 -26.551 32.777 1.00 0.00 C ATOM 1000 CD GLU B 11 98.888 -26.243 32.266 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.330 -25.121 32.451 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.498 -27.130 31.692 1.00 0.00 O ATOM 0 H GLU B 11 94.842 -24.954 32.284 1.00 0.00 H new ATOM 0 HA GLU B 11 95.547 -26.691 34.591 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.980 -24.467 33.059 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.662 -25.233 34.480 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.486 -27.473 33.358 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.803 -26.708 31.937 1.00 0.00 H new ATOM 1009 N CYS B 12 94.053 -24.044 35.079 1.00 0.00 N ATOM 1010 CA CYS B 12 93.635 -23.038 36.095 1.00 0.00 C ATOM 1011 C CYS B 12 93.756 -23.651 37.492 1.00 0.00 C ATOM 1012 O CYS B 12 94.177 -23.008 38.433 1.00 0.00 O ATOM 1013 CB CYS B 12 92.184 -22.629 35.840 1.00 0.00 C ATOM 1014 SG CYS B 12 91.724 -21.293 36.972 1.00 0.00 S ATOM 0 H CYS B 12 93.396 -24.189 34.312 1.00 0.00 H new ATOM 0 HA CYS B 12 94.276 -22.159 36.025 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.063 -22.302 34.807 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.524 -23.484 35.983 1.00 0.00 H new ATOM 1019 N GLU B 13 93.386 -24.894 37.632 1.00 0.00 N ATOM 1020 CA GLU B 13 93.472 -25.562 38.963 1.00 0.00 C ATOM 1021 C GLU B 13 94.926 -25.586 39.451 1.00 0.00 C ATOM 1022 O GLU B 13 95.197 -25.394 40.620 1.00 0.00 O ATOM 1023 CB GLU B 13 92.947 -26.994 38.843 1.00 0.00 C ATOM 1024 CG GLU B 13 91.432 -26.961 38.621 1.00 0.00 C ATOM 1025 CD GLU B 13 90.900 -28.390 38.500 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.660 -29.309 38.755 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.739 -28.541 38.154 1.00 0.00 O ATOM 0 H GLU B 13 93.026 -25.479 36.878 1.00 0.00 H new ATOM 0 HA GLU B 13 92.869 -25.007 39.682 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.437 -27.505 38.014 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.181 -27.556 39.747 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.944 -26.449 39.450 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.199 -26.398 37.717 1.00 0.00 H new ATOM 1034 N LYS B 14 95.862 -25.832 38.571 1.00 0.00 N ATOM 1035 CA LYS B 14 97.292 -25.880 38.997 1.00 0.00 C ATOM 1036 C LYS B 14 97.708 -24.517 39.552 1.00 0.00 C ATOM 1037 O LYS B 14 98.416 -24.428 40.536 1.00 0.00 O ATOM 1038 CB LYS B 14 98.173 -26.243 37.797 1.00 0.00 C ATOM 1039 CG LYS B 14 99.633 -26.376 38.255 1.00 0.00 C ATOM 1040 CD LYS B 14 100.495 -26.979 37.133 1.00 0.00 C ATOM 1041 CE LYS B 14 100.876 -25.900 36.115 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.725 -24.872 36.782 1.00 0.00 N ATOM 0 H LYS B 14 95.698 -26.001 37.579 1.00 0.00 H new ATOM 0 HA LYS B 14 97.414 -26.635 39.773 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.833 -27.179 37.353 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.091 -25.476 37.027 1.00 0.00 H new ATOM 0 HG2 LYS B 14 100.023 -25.398 38.536 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.686 -27.007 39.142 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.396 -27.423 37.556 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.948 -27.780 36.636 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.414 -26.346 35.279 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.978 -25.437 35.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.275 -23.939 36.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.832 -25.110 37.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.662 -24.849 36.331 1.00 0.00 H new ATOM 1056 N TYR B 15 97.268 -23.450 38.938 1.00 0.00 N ATOM 1057 CA TYR B 15 97.636 -22.093 39.443 1.00 0.00 C ATOM 1058 C TYR B 15 96.607 -21.651 40.482 1.00 0.00 C ATOM 1059 O TYR B 15 96.833 -20.728 41.239 1.00 0.00 O ATOM 1060 CB TYR B 15 97.653 -21.098 38.282 1.00 0.00 C ATOM 1061 CG TYR B 15 98.825 -21.411 37.387 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.103 -20.950 37.723 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.639 -22.177 36.230 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.194 -21.251 36.901 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.731 -22.480 35.409 1.00 0.00 C ATOM 1066 CZ TYR B 15 101.008 -22.017 35.744 1.00 0.00 C ATOM 1067 OH TYR B 15 102.084 -22.319 34.934 1.00 0.00 O ATOM 0 H TYR B 15 96.671 -23.459 38.111 1.00 0.00 H new ATOM 0 HA TYR B 15 98.626 -22.128 39.897 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.722 -21.160 37.719 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.729 -20.079 38.660 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.247 -20.362 38.617 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.653 -22.534 35.971 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.180 -20.893 37.159 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.588 -23.071 34.517 1.00 0.00 H new ATOM 0 HH TYR B 15 102.755 -21.608 35.002 1.00 0.00 H new ATOM 1077 N HIS B 16 95.481 -22.312 40.524 1.00 0.00 N ATOM 1078 CA HIS B 16 94.430 -21.952 41.518 1.00 0.00 C ATOM 1079 C HIS B 16 94.029 -20.487 41.337 1.00 0.00 C ATOM 1080 O HIS B 16 93.855 -20.012 40.231 1.00 0.00 O ATOM 1081 CB HIS B 16 94.954 -22.182 42.940 1.00 0.00 C ATOM 1082 CG HIS B 16 95.395 -23.615 43.085 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.680 -24.030 42.759 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.737 -24.739 43.521 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.753 -25.352 43.003 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.598 -25.830 43.469 1.00 0.00 N ATOM 0 H HIS B 16 95.243 -23.090 39.909 1.00 0.00 H new ATOM 0 HA HIS B 16 93.556 -22.583 41.359 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.788 -21.511 43.145 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.175 -21.954 43.668 1.00 0.00 H new ATOM 0 HD1 HIS B 16 97.431 -23.441 42.400 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.710 -24.771 43.853 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.637 -25.951 42.842 1.00 0.00 H new ATOM 1095 N SER B 17 93.872 -19.767 42.417 1.00 0.00 N ATOM 1096 CA SER B 17 93.471 -18.332 42.314 1.00 0.00 C ATOM 1097 C SER B 17 94.708 -17.447 42.117 1.00 0.00 C ATOM 1098 O SER B 17 94.604 -16.242 42.004 1.00 0.00 O ATOM 1099 CB SER B 17 92.745 -17.915 43.594 1.00 0.00 C ATOM 1100 OG SER B 17 92.464 -16.522 43.542 1.00 0.00 O ATOM 0 H SER B 17 94.004 -20.111 43.368 1.00 0.00 H new ATOM 0 HA SER B 17 92.809 -18.209 41.457 1.00 0.00 H new ATOM 0 HB2 SER B 17 91.819 -18.481 43.702 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.360 -18.141 44.465 1.00 0.00 H new ATOM 0 HG SER B 17 93.071 -16.089 42.906 1.00 0.00 H new ATOM 1106 N ASN B 18 95.880 -18.028 42.072 1.00 0.00 N ATOM 1107 CA ASN B 18 97.108 -17.201 41.877 1.00 0.00 C ATOM 1108 C ASN B 18 97.279 -16.882 40.389 1.00 0.00 C ATOM 1109 O ASN B 18 98.094 -17.473 39.708 1.00 0.00 O ATOM 1110 CB ASN B 18 98.339 -17.971 42.368 1.00 0.00 C ATOM 1111 CG ASN B 18 98.315 -18.069 43.894 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.644 -17.301 44.554 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.036 -18.982 44.487 1.00 0.00 N ATOM 0 H ASN B 18 96.039 -19.032 42.161 1.00 0.00 H new ATOM 0 HA ASN B 18 97.007 -16.276 42.445 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.353 -18.969 41.931 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.249 -17.467 42.041 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.036 -19.050 45.505 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.599 -19.627 43.933 1.00 0.00 H new ATOM 1120 N TRP B 19 96.521 -15.951 39.878 1.00 0.00 N ATOM 1121 CA TRP B 19 96.652 -15.596 38.438 1.00 0.00 C ATOM 1122 C TRP B 19 97.985 -14.880 38.202 1.00 0.00 C ATOM 1123 O TRP B 19 98.532 -14.909 37.117 1.00 0.00 O ATOM 1124 CB TRP B 19 95.498 -14.686 38.018 1.00 0.00 C ATOM 1125 CG TRP B 19 95.519 -13.436 38.834 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.860 -13.262 40.001 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.220 -12.187 38.568 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.106 -11.983 40.467 1.00 0.00 N ATOM 1129 CE2 TRP B 19 95.941 -11.281 39.618 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.060 -11.757 37.527 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.477 -9.993 39.635 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.602 -10.462 37.539 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.311 -9.581 38.590 1.00 0.00 C ATOM 0 H TRP B 19 95.818 -15.422 40.395 1.00 0.00 H new ATOM 0 HA TRP B 19 96.622 -16.508 37.842 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.582 -14.442 36.959 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.548 -15.203 38.152 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.242 -14.001 40.490 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.719 -11.604 41.331 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.290 -12.427 36.712 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.250 -9.320 40.448 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.247 -10.143 36.734 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.730 -8.586 38.593 1.00 0.00 H new ATOM 1144 N ARG B 20 98.508 -14.230 39.207 1.00 0.00 N ATOM 1145 CA ARG B 20 99.801 -13.510 39.033 1.00 0.00 C ATOM 1146 C ARG B 20 100.899 -14.496 38.630 1.00 0.00 C ATOM 1147 O ARG B 20 101.722 -14.208 37.784 1.00 0.00 O ATOM 1148 CB ARG B 20 100.192 -12.826 40.344 1.00 0.00 C ATOM 1149 CG ARG B 20 99.244 -11.656 40.619 1.00 0.00 C ATOM 1150 CD ARG B 20 99.643 -10.976 41.932 1.00 0.00 C ATOM 1151 NE ARG B 20 98.721 -9.836 42.202 1.00 0.00 N ATOM 1152 CZ ARG B 20 98.696 -9.281 43.384 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.462 -9.737 44.337 1.00 0.00 N ATOM 1154 NH2 ARG B 20 97.903 -8.269 43.612 1.00 0.00 N ATOM 0 H ARG B 20 98.097 -14.167 40.138 1.00 0.00 H new ATOM 0 HA ARG B 20 99.685 -12.760 38.250 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.150 -13.541 41.165 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.220 -12.468 40.286 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.285 -10.940 39.798 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.216 -12.013 40.679 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.602 -11.693 42.752 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.671 -10.619 41.871 1.00 0.00 H new ATOM 0 HE ARG B 20 98.109 -9.489 41.463 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.081 -10.528 44.159 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.442 -9.303 45.260 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.304 -7.913 42.867 1.00 0.00 H new ATOM 0 HH22 ARG B 20 97.883 -7.835 44.535 1.00 0.00 H new ATOM 1168 N ALA B 21 100.919 -15.656 39.225 1.00 0.00 N ATOM 1169 CA ALA B 21 101.965 -16.652 38.866 1.00 0.00 C ATOM 1170 C ALA B 21 101.748 -17.097 37.421 1.00 0.00 C ATOM 1171 O ALA B 21 102.669 -17.155 36.629 1.00 0.00 O ATOM 1172 CB ALA B 21 101.856 -17.863 39.797 1.00 0.00 C ATOM 0 H ALA B 21 100.258 -15.956 39.942 1.00 0.00 H new ATOM 0 HA ALA B 21 102.954 -16.206 38.971 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.622 -18.593 39.535 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.998 -17.542 40.829 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.871 -18.316 39.690 1.00 0.00 H new ATOM 1178 N MET B 22 100.529 -17.396 37.070 1.00 0.00 N ATOM 1179 CA MET B 22 100.231 -17.824 35.678 1.00 0.00 C ATOM 1180 C MET B 22 100.629 -16.701 34.714 1.00 0.00 C ATOM 1181 O MET B 22 101.280 -16.927 33.716 1.00 0.00 O ATOM 1182 CB MET B 22 98.727 -18.108 35.562 1.00 0.00 C ATOM 1183 CG MET B 22 98.399 -18.732 34.199 1.00 0.00 C ATOM 1184 SD MET B 22 98.510 -17.481 32.888 1.00 0.00 S ATOM 1185 CE MET B 22 96.941 -16.633 33.196 1.00 0.00 C ATOM 0 H MET B 22 99.722 -17.362 37.693 1.00 0.00 H new ATOM 0 HA MET B 22 100.791 -18.725 35.428 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.416 -18.781 36.361 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.166 -17.182 35.689 1.00 0.00 H new ATOM 0 HG2 MET B 22 99.089 -19.549 33.990 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.396 -19.159 34.219 1.00 0.00 H new ATOM 0 HE1 MET B 22 96.683 -16.020 32.333 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.156 -17.370 33.365 1.00 0.00 H new ATOM 0 HE3 MET B 22 97.037 -15.998 34.077 1.00 0.00 H new ATOM 1195 N ALA B 23 100.240 -15.490 35.005 1.00 0.00 N ATOM 1196 CA ALA B 23 100.592 -14.357 34.103 1.00 0.00 C ATOM 1197 C ALA B 23 102.108 -14.308 33.912 1.00 0.00 C ATOM 1198 O ALA B 23 102.600 -14.047 32.832 1.00 0.00 O ATOM 1199 CB ALA B 23 100.110 -13.044 34.725 1.00 0.00 C ATOM 0 H ALA B 23 99.694 -15.236 35.828 1.00 0.00 H new ATOM 0 HA ALA B 23 100.111 -14.498 33.135 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.366 -12.214 34.067 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.029 -13.080 34.859 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.591 -12.902 35.693 1.00 0.00 H new ATOM 1205 N SER B 24 102.851 -14.554 34.953 1.00 0.00 N ATOM 1206 CA SER B 24 104.334 -14.519 34.833 1.00 0.00 C ATOM 1207 C SER B 24 104.803 -15.643 33.904 1.00 0.00 C ATOM 1208 O SER B 24 105.705 -15.466 33.110 1.00 0.00 O ATOM 1209 CB SER B 24 104.957 -14.706 36.217 1.00 0.00 C ATOM 1210 OG SER B 24 106.358 -14.480 36.137 1.00 0.00 O ATOM 0 H SER B 24 102.495 -14.778 35.882 1.00 0.00 H new ATOM 0 HA SER B 24 104.643 -13.559 34.419 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.506 -14.014 36.928 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.760 -15.713 36.584 1.00 0.00 H new ATOM 0 HG SER B 24 106.759 -14.598 37.023 1.00 0.00 H new ATOM 1216 N ASP B 25 104.207 -16.799 34.004 1.00 0.00 N ATOM 1217 CA ASP B 25 104.631 -17.934 33.132 1.00 0.00 C ATOM 1218 C ASP B 25 104.224 -17.667 31.681 1.00 0.00 C ATOM 1219 O ASP B 25 104.964 -17.947 30.758 1.00 0.00 O ATOM 1220 CB ASP B 25 103.956 -19.218 33.614 1.00 0.00 C ATOM 1221 CG ASP B 25 104.554 -19.634 34.959 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.643 -19.178 35.267 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.916 -20.404 35.655 1.00 0.00 O ATOM 0 H ASP B 25 103.446 -17.008 34.650 1.00 0.00 H new ATOM 0 HA ASP B 25 105.715 -18.038 33.185 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.882 -19.061 33.714 1.00 0.00 H new ATOM 0 HB3 ASP B 25 104.095 -20.012 32.881 1.00 0.00 H new ATOM 1228 N PHE B 26 103.056 -17.123 31.469 1.00 0.00 N ATOM 1229 CA PHE B 26 102.600 -16.831 30.074 1.00 0.00 C ATOM 1230 C PHE B 26 102.919 -15.372 29.732 1.00 0.00 C ATOM 1231 O PHE B 26 102.662 -14.908 28.639 1.00 0.00 O ATOM 1232 CB PHE B 26 101.090 -17.077 29.969 1.00 0.00 C ATOM 1233 CG PHE B 26 100.809 -18.565 30.048 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.699 -19.190 31.295 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.644 -19.317 28.874 1.00 0.00 C ATOM 1236 CE1 PHE B 26 100.428 -20.560 31.374 1.00 0.00 C ATOM 1237 CE2 PHE B 26 100.376 -20.690 28.955 1.00 0.00 C ATOM 1238 CZ PHE B 26 100.267 -21.310 30.204 1.00 0.00 C ATOM 0 H PHE B 26 102.394 -16.867 32.202 1.00 0.00 H new ATOM 0 HA PHE B 26 103.117 -17.485 29.372 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.570 -16.556 30.773 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.710 -16.675 29.030 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.824 -18.613 32.199 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.724 -18.838 27.909 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.343 -21.039 32.338 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.254 -21.270 28.052 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.059 -22.368 30.265 1.00 0.00 H new ATOM 1248 N ASN B 27 103.495 -14.649 30.657 1.00 0.00 N ATOM 1249 CA ASN B 27 103.852 -13.225 30.385 1.00 0.00 C ATOM 1250 C ASN B 27 102.646 -12.481 29.810 1.00 0.00 C ATOM 1251 O ASN B 27 102.770 -11.724 28.868 1.00 0.00 O ATOM 1252 CB ASN B 27 105.000 -13.177 29.378 1.00 0.00 C ATOM 1253 CG ASN B 27 106.246 -13.810 29.996 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.554 -13.541 31.235 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.947 -14.560 29.345 1.00 0.00 N flip ATOM 0 H ASN B 27 103.734 -14.984 31.590 1.00 0.00 H new ATOM 0 HA ASN B 27 104.154 -12.748 31.318 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.722 -13.709 28.468 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.206 -12.145 29.094 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.707 -14.771 28.376 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.776 -14.979 29.767 1.00 0.00 H new ATOM 1262 N LEU B 28 101.483 -12.693 30.367 1.00 0.00 N ATOM 1263 CA LEU B 28 100.254 -12.006 29.857 1.00 0.00 C ATOM 1264 C LEU B 28 99.817 -10.905 30.847 1.00 0.00 C ATOM 1265 O LEU B 28 99.533 -11.195 31.992 1.00 0.00 O ATOM 1266 CB LEU B 28 99.129 -13.044 29.747 1.00 0.00 C ATOM 1267 CG LEU B 28 99.274 -13.856 28.448 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.399 -15.113 28.540 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.838 -13.009 27.230 1.00 0.00 C ATOM 0 H LEU B 28 101.328 -13.317 31.159 1.00 0.00 H new ATOM 0 HA LEU B 28 100.462 -11.556 28.886 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.158 -13.713 30.607 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.161 -12.544 29.765 1.00 0.00 H new ATOM 0 HG LEU B 28 100.319 -14.139 28.319 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.497 -15.693 27.622 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.720 -15.718 29.388 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.357 -14.822 28.675 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.947 -13.598 26.319 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.796 -12.712 27.348 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.464 -12.119 27.163 1.00 0.00 H new ATOM 1281 N PRO B 29 99.733 -9.656 30.424 1.00 0.00 N ATOM 1282 CA PRO B 29 99.287 -8.554 31.324 1.00 0.00 C ATOM 1283 C PRO B 29 98.054 -8.973 32.152 1.00 0.00 C ATOM 1284 O PRO B 29 97.216 -9.711 31.672 1.00 0.00 O ATOM 1285 CB PRO B 29 98.927 -7.427 30.351 1.00 0.00 C ATOM 1286 CG PRO B 29 99.842 -7.629 29.188 1.00 0.00 C ATOM 1287 CD PRO B 29 100.055 -9.145 29.074 1.00 0.00 C ATOM 0 HA PRO B 29 100.048 -8.269 32.051 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.882 -7.484 30.048 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.074 -6.448 30.806 1.00 0.00 H new ATOM 0 HG2 PRO B 29 99.405 -7.227 28.274 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.789 -7.113 29.343 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.405 -9.583 28.316 1.00 0.00 H new ATOM 0 HD3 PRO B 29 101.080 -9.384 28.791 1.00 0.00 H new ATOM 1295 N PRO B 30 97.934 -8.520 33.378 1.00 0.00 N ATOM 1296 CA PRO B 30 96.776 -8.879 34.248 1.00 0.00 C ATOM 1297 C PRO B 30 95.428 -8.868 33.503 1.00 0.00 C ATOM 1298 O PRO B 30 94.469 -9.467 33.948 1.00 0.00 O ATOM 1299 CB PRO B 30 96.791 -7.796 35.335 1.00 0.00 C ATOM 1300 CG PRO B 30 98.220 -7.352 35.440 1.00 0.00 C ATOM 1301 CD PRO B 30 98.878 -7.622 34.076 1.00 0.00 C ATOM 0 HA PRO B 30 96.871 -9.895 34.630 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.140 -6.963 35.068 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.432 -8.190 36.286 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.277 -6.293 35.692 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.736 -7.896 36.231 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.031 -6.697 33.519 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.856 -8.089 34.193 1.00 0.00 H new ATOM 1309 N VAL B 31 95.335 -8.181 32.397 1.00 0.00 N ATOM 1310 CA VAL B 31 94.032 -8.127 31.665 1.00 0.00 C ATOM 1311 C VAL B 31 93.578 -9.536 31.283 1.00 0.00 C ATOM 1312 O VAL B 31 92.500 -9.971 31.633 1.00 0.00 O ATOM 1313 CB VAL B 31 94.197 -7.290 30.388 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.950 -7.421 29.492 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.390 -5.821 30.775 1.00 0.00 C ATOM 0 H VAL B 31 96.098 -7.657 31.969 1.00 0.00 H new ATOM 0 HA VAL B 31 93.283 -7.674 32.315 1.00 0.00 H new ATOM 0 HB VAL B 31 95.065 -7.651 29.836 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.084 -6.821 28.592 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.809 -8.466 29.215 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.073 -7.069 30.035 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.508 -5.220 29.874 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.519 -5.474 31.331 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.280 -5.722 31.396 1.00 0.00 H new ATOM 1325 N VAL B 32 94.388 -10.241 30.551 1.00 0.00 N ATOM 1326 CA VAL B 32 94.004 -11.615 30.125 1.00 0.00 C ATOM 1327 C VAL B 32 94.014 -12.560 31.331 1.00 0.00 C ATOM 1328 O VAL B 32 93.149 -13.399 31.478 1.00 0.00 O ATOM 1329 CB VAL B 32 94.996 -12.097 29.063 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.785 -13.587 28.782 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.786 -11.302 27.768 1.00 0.00 C ATOM 0 H VAL B 32 95.303 -9.926 30.227 1.00 0.00 H new ATOM 0 HA VAL B 32 92.998 -11.605 29.706 1.00 0.00 H new ATOM 0 HB VAL B 32 96.011 -11.943 29.430 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.496 -13.919 28.025 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.939 -14.156 29.699 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.769 -13.749 28.421 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.492 -11.645 27.012 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.768 -11.454 27.409 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.948 -10.242 27.962 1.00 0.00 H new ATOM 1341 N ALA B 33 94.988 -12.437 32.192 1.00 0.00 N ATOM 1342 CA ALA B 33 95.049 -13.339 33.378 1.00 0.00 C ATOM 1343 C ALA B 33 93.803 -13.142 34.242 1.00 0.00 C ATOM 1344 O ALA B 33 93.124 -14.086 34.595 1.00 0.00 O ATOM 1345 CB ALA B 33 96.301 -13.015 34.193 1.00 0.00 C ATOM 0 H ALA B 33 95.742 -11.753 32.126 1.00 0.00 H new ATOM 0 HA ALA B 33 95.089 -14.376 33.046 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.350 -13.672 35.061 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.186 -13.164 33.575 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.261 -11.978 34.525 1.00 0.00 H new ATOM 1351 N LYS B 34 93.487 -11.923 34.572 1.00 0.00 N ATOM 1352 CA LYS B 34 92.273 -11.665 35.399 1.00 0.00 C ATOM 1353 C LYS B 34 91.037 -12.179 34.662 1.00 0.00 C ATOM 1354 O LYS B 34 90.120 -12.708 35.259 1.00 0.00 O ATOM 1355 CB LYS B 34 92.120 -10.162 35.652 1.00 0.00 C ATOM 1356 CG LYS B 34 93.158 -9.699 36.677 1.00 0.00 C ATOM 1357 CD LYS B 34 92.993 -8.196 36.919 1.00 0.00 C ATOM 1358 CE LYS B 34 93.928 -7.740 38.045 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.302 -8.049 39.362 1.00 0.00 N ATOM 0 H LYS B 34 94.016 -11.092 34.306 1.00 0.00 H new ATOM 0 HA LYS B 34 92.377 -12.182 36.353 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.247 -9.612 34.719 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.115 -9.946 36.015 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.032 -10.246 37.612 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.164 -9.913 36.315 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.216 -7.646 36.005 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.959 -7.973 37.181 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.891 -8.244 37.960 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.120 -6.670 37.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.934 -7.741 40.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.394 -7.549 39.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.141 -9.074 39.438 1.00 0.00 H new ATOM 1373 N GLU B 35 90.995 -12.001 33.373 1.00 0.00 N ATOM 1374 CA GLU B 35 89.807 -12.450 32.593 1.00 0.00 C ATOM 1375 C GLU B 35 89.604 -13.961 32.744 1.00 0.00 C ATOM 1376 O GLU B 35 88.489 -14.431 32.864 1.00 0.00 O ATOM 1377 CB GLU B 35 90.024 -12.110 31.117 1.00 0.00 C ATOM 1378 CG GLU B 35 88.736 -12.370 30.326 1.00 0.00 C ATOM 1379 CD GLU B 35 88.584 -13.869 30.048 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.597 -14.538 29.919 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.454 -14.324 29.969 1.00 0.00 O ATOM 0 H GLU B 35 91.734 -11.563 32.823 1.00 0.00 H new ATOM 0 HA GLU B 35 88.920 -11.941 32.970 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.319 -11.066 31.015 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.837 -12.712 30.712 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.875 -12.007 30.888 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.759 -11.818 29.386 1.00 0.00 H new ATOM 1388 N ILE B 36 90.657 -14.731 32.740 1.00 0.00 N ATOM 1389 CA ILE B 36 90.485 -16.204 32.883 1.00 0.00 C ATOM 1390 C ILE B 36 89.818 -16.497 34.229 1.00 0.00 C ATOM 1391 O ILE B 36 88.932 -17.324 34.328 1.00 0.00 O ATOM 1392 CB ILE B 36 91.853 -16.881 32.803 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.442 -16.640 31.413 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.697 -18.384 33.024 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.903 -17.076 31.395 1.00 0.00 C ATOM 0 H ILE B 36 91.620 -14.408 32.645 1.00 0.00 H new ATOM 0 HA ILE B 36 89.856 -16.592 32.082 1.00 0.00 H new ATOM 0 HB ILE B 36 92.511 -16.469 33.568 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.876 -17.197 30.666 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.363 -15.585 31.151 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.674 -18.864 32.966 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.262 -18.564 34.007 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.043 -18.799 32.257 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.322 -16.904 30.404 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.464 -16.500 32.131 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.969 -18.137 31.638 1.00 0.00 H new ATOM 1407 N VAL B 37 90.214 -15.804 35.262 1.00 0.00 N ATOM 1408 CA VAL B 37 89.581 -16.018 36.595 1.00 0.00 C ATOM 1409 C VAL B 37 88.114 -15.586 36.514 1.00 0.00 C ATOM 1410 O VAL B 37 87.233 -16.216 37.066 1.00 0.00 O ATOM 1411 CB VAL B 37 90.310 -15.162 37.639 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.528 -15.171 38.958 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.714 -15.730 37.871 1.00 0.00 C ATOM 0 H VAL B 37 90.950 -15.098 35.240 1.00 0.00 H new ATOM 0 HA VAL B 37 89.643 -17.068 36.880 1.00 0.00 H new ATOM 0 HB VAL B 37 90.385 -14.137 37.276 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.051 -14.561 39.695 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.530 -14.764 38.792 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.446 -16.194 39.325 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.234 -15.123 38.612 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.637 -16.756 38.231 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.272 -15.715 36.935 1.00 0.00 H new ATOM 1423 N ALA B 38 87.855 -14.507 35.829 1.00 0.00 N ATOM 1424 CA ALA B 38 86.457 -14.005 35.700 1.00 0.00 C ATOM 1425 C ALA B 38 85.574 -15.059 35.024 1.00 0.00 C ATOM 1426 O ALA B 38 84.367 -15.040 35.152 1.00 0.00 O ATOM 1427 CB ALA B 38 86.456 -12.725 34.857 1.00 0.00 C ATOM 0 H ALA B 38 88.558 -13.946 35.348 1.00 0.00 H new ATOM 0 HA ALA B 38 86.061 -13.797 36.694 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.436 -12.354 34.760 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.072 -11.969 35.343 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.859 -12.941 33.868 1.00 0.00 H new ATOM 1433 N SER B 39 86.160 -15.968 34.292 1.00 0.00 N ATOM 1434 CA SER B 39 85.339 -17.002 33.595 1.00 0.00 C ATOM 1435 C SER B 39 85.209 -18.239 34.483 1.00 0.00 C ATOM 1436 O SER B 39 84.162 -18.851 34.553 1.00 0.00 O ATOM 1437 CB SER B 39 86.021 -17.386 32.281 1.00 0.00 C ATOM 1438 OG SER B 39 86.333 -16.205 31.553 1.00 0.00 O ATOM 0 H SER B 39 87.167 -16.040 34.146 1.00 0.00 H new ATOM 0 HA SER B 39 84.347 -16.601 33.389 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.929 -17.954 32.481 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.366 -18.028 31.692 1.00 0.00 H new ATOM 0 HG SER B 39 87.086 -15.746 31.981 1.00 0.00 H new ATOM 1444 N CYS B 40 86.248 -18.605 35.177 1.00 0.00 N ATOM 1445 CA CYS B 40 86.150 -19.792 36.069 1.00 0.00 C ATOM 1446 C CYS B 40 85.055 -19.533 37.107 1.00 0.00 C ATOM 1447 O CYS B 40 84.993 -18.477 37.704 1.00 0.00 O ATOM 1448 CB CYS B 40 87.487 -20.026 36.770 1.00 0.00 C ATOM 1449 SG CYS B 40 87.494 -21.676 37.514 1.00 0.00 S ATOM 0 H CYS B 40 87.155 -18.138 35.166 1.00 0.00 H new ATOM 0 HA CYS B 40 85.904 -20.678 35.484 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.306 -19.933 36.056 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.646 -19.268 37.537 1.00 0.00 H new ATOM 1454 N ASP B 41 84.181 -20.477 37.316 1.00 0.00 N ATOM 1455 CA ASP B 41 83.081 -20.273 38.300 1.00 0.00 C ATOM 1456 C ASP B 41 83.589 -20.504 39.725 1.00 0.00 C ATOM 1457 O ASP B 41 83.096 -19.920 40.671 1.00 0.00 O ATOM 1458 CB ASP B 41 81.955 -21.264 38.000 1.00 0.00 C ATOM 1459 CG ASP B 41 81.266 -20.871 36.692 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.311 -19.702 36.350 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.711 -21.749 36.052 1.00 0.00 O ATOM 0 H ASP B 41 84.181 -21.383 36.847 1.00 0.00 H new ATOM 0 HA ASP B 41 82.715 -19.249 38.218 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.356 -22.275 37.923 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.233 -21.269 38.817 1.00 0.00 H new ATOM 1466 N LYS B 42 84.554 -21.365 39.895 1.00 0.00 N ATOM 1467 CA LYS B 42 85.068 -21.643 41.265 1.00 0.00 C ATOM 1468 C LYS B 42 85.879 -20.449 41.779 1.00 0.00 C ATOM 1469 O LYS B 42 85.784 -20.073 42.931 1.00 0.00 O ATOM 1470 CB LYS B 42 85.959 -22.885 41.217 1.00 0.00 C ATOM 1471 CG LYS B 42 85.116 -24.102 40.827 1.00 0.00 C ATOM 1472 CD LYS B 42 86.001 -25.348 40.776 1.00 0.00 C ATOM 1473 CE LYS B 42 85.151 -26.560 40.384 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.629 -26.377 38.999 1.00 0.00 N ATOM 0 H LYS B 42 85.008 -21.887 39.146 1.00 0.00 H new ATOM 0 HA LYS B 42 84.228 -21.811 41.939 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.764 -22.741 40.496 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.426 -23.049 42.188 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.311 -24.245 41.548 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.648 -23.936 39.856 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.806 -25.206 40.055 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.468 -25.516 41.747 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.748 -27.470 40.441 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.323 -26.678 41.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.336 -27.298 38.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.812 -25.734 39.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.374 -25.971 38.398 1.00 0.00 H new ATOM 1488 N CYS B 43 86.675 -19.847 40.936 1.00 0.00 N ATOM 1489 CA CYS B 43 87.492 -18.674 41.377 1.00 0.00 C ATOM 1490 C CYS B 43 86.667 -17.391 41.242 1.00 0.00 C ATOM 1491 O CYS B 43 87.172 -16.298 41.405 1.00 0.00 O ATOM 1492 CB CYS B 43 88.756 -18.571 40.522 1.00 0.00 C ATOM 1493 SG CYS B 43 89.703 -20.109 40.656 1.00 0.00 S ATOM 0 H CYS B 43 86.796 -20.116 39.960 1.00 0.00 H new ATOM 0 HA CYS B 43 87.778 -18.808 42.420 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.490 -18.385 39.482 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.363 -17.728 40.852 1.00 0.00 H new ATOM 1498 N GLN B 44 85.404 -17.515 40.935 1.00 0.00 N ATOM 1499 CA GLN B 44 84.544 -16.305 40.776 1.00 0.00 C ATOM 1500 C GLN B 44 84.128 -15.780 42.151 1.00 0.00 C ATOM 1501 O GLN B 44 84.557 -14.729 42.583 1.00 0.00 O ATOM 1502 CB GLN B 44 83.291 -16.682 39.979 1.00 0.00 C ATOM 1503 CG GLN B 44 82.478 -15.426 39.649 1.00 0.00 C ATOM 1504 CD GLN B 44 83.234 -14.587 38.619 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.858 -15.122 37.723 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.200 -13.286 38.700 1.00 0.00 N ATOM 0 H GLN B 44 84.928 -18.405 40.787 1.00 0.00 H new ATOM 0 HA GLN B 44 85.102 -15.531 40.249 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.576 -17.192 39.059 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.681 -17.379 40.554 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.499 -15.705 39.259 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.306 -14.843 40.554 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.677 -12.835 39.451 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.696 -12.719 38.012 1.00 0.00 H new ATOM 1515 N LEU B 45 83.283 -16.499 42.834 1.00 0.00 N ATOM 1516 CA LEU B 45 82.822 -16.041 44.176 1.00 0.00 C ATOM 1517 C LEU B 45 83.849 -16.453 45.233 1.00 0.00 C ATOM 1518 O LEU B 45 84.410 -17.530 45.180 1.00 0.00 O ATOM 1519 CB LEU B 45 81.474 -16.692 44.495 1.00 0.00 C ATOM 1520 CG LEU B 45 80.481 -16.417 43.360 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.142 -17.081 43.692 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.274 -14.901 43.193 1.00 0.00 C ATOM 0 H LEU B 45 82.890 -17.387 42.521 1.00 0.00 H new ATOM 0 HA LEU B 45 82.714 -14.956 44.177 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.601 -17.767 44.626 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.084 -16.300 45.434 1.00 0.00 H new ATOM 0 HG LEU B 45 80.877 -16.825 42.430 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.431 -16.889 42.888 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.286 -18.156 43.800 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.754 -16.671 44.625 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.567 -14.717 42.384 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.882 -14.483 44.120 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.227 -14.428 42.956 1.00 0.00 H new ATOM 1534 N LYS B 46 84.102 -15.605 46.192 1.00 0.00 N ATOM 1535 CA LYS B 46 85.093 -15.953 47.248 1.00 0.00 C ATOM 1536 C LYS B 46 84.496 -17.034 48.156 1.00 0.00 C ATOM 1537 O LYS B 46 85.189 -17.918 48.616 1.00 0.00 O ATOM 1538 CB LYS B 46 85.435 -14.697 48.066 1.00 0.00 C ATOM 1539 CG LYS B 46 86.508 -15.003 49.127 1.00 0.00 C ATOM 1540 CD LYS B 46 87.878 -15.214 48.468 1.00 0.00 C ATOM 1541 CE LYS B 46 88.964 -15.207 49.546 1.00 0.00 C ATOM 1542 NZ LYS B 46 89.211 -13.809 49.994 1.00 0.00 N ATOM 0 H LYS B 46 83.666 -14.688 46.290 1.00 0.00 H new ATOM 0 HA LYS B 46 86.007 -16.332 46.792 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.791 -13.911 47.400 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.535 -14.319 48.552 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.565 -14.181 49.841 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.228 -15.894 49.688 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.892 -16.160 47.927 1.00 0.00 H new ATOM 0 HD3 LYS B 46 88.069 -14.427 47.738 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.656 -15.822 50.392 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.883 -15.642 49.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.128 -13.758 50.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.222 -13.177 49.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.456 -13.515 50.645 1.00 0.00 H new ATOM 1556 N GLY B 47 83.207 -16.972 48.407 1.00 0.00 N ATOM 1557 CA GLY B 47 82.540 -17.998 49.278 1.00 0.00 C ATOM 1558 C GLY B 47 81.861 -17.322 50.474 1.00 0.00 C ATOM 1559 O GLY B 47 81.057 -17.926 51.157 1.00 0.00 O ATOM 0 H GLY B 47 82.584 -16.250 48.044 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.802 -18.552 48.698 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.277 -18.720 49.630 1.00 0.00 H new ATOM 1563 N GLU B 48 82.174 -16.083 50.743 1.00 0.00 N ATOM 1564 CA GLU B 48 81.537 -15.390 51.905 1.00 0.00 C ATOM 1565 C GLU B 48 80.193 -14.795 51.480 1.00 0.00 C ATOM 1566 O GLU B 48 80.098 -14.090 50.495 1.00 0.00 O ATOM 1567 CB GLU B 48 82.452 -14.267 52.402 1.00 0.00 C ATOM 1568 CG GLU B 48 83.705 -14.872 53.036 1.00 0.00 C ATOM 1569 CD GLU B 48 84.571 -15.490 51.941 1.00 0.00 C ATOM 1570 OE1 GLU B 48 84.373 -15.134 50.792 1.00 0.00 O ATOM 1571 OE2 GLU B 48 85.419 -16.303 52.269 1.00 0.00 O ATOM 0 H GLU B 48 82.840 -15.521 50.212 1.00 0.00 H new ATOM 0 HA GLU B 48 81.378 -16.112 52.706 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.729 -13.616 51.573 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.925 -13.650 53.130 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.265 -14.104 53.569 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.427 -15.630 53.768 1.00 0.00 H new ATOM 1578 N ALA B 49 79.157 -15.066 52.224 1.00 0.00 N ATOM 1579 CA ALA B 49 77.819 -14.514 51.873 1.00 0.00 C ATOM 1580 C ALA B 49 76.881 -14.678 53.070 1.00 0.00 C ATOM 1581 O ALA B 49 76.398 -13.715 53.633 1.00 0.00 O ATOM 1582 CB ALA B 49 77.251 -15.272 50.672 1.00 0.00 C ATOM 0 H ALA B 49 79.179 -15.647 53.062 1.00 0.00 H new ATOM 0 HA ALA B 49 77.913 -13.458 51.620 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.272 -14.867 50.416 1.00 0.00 H new ATOM 0 HB2 ALA B 49 77.923 -15.161 49.821 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.153 -16.328 50.922 1.00 0.00 H new ATOM 1588 N MET B 50 76.625 -15.895 53.462 1.00 0.00 N ATOM 1589 CA MET B 50 75.725 -16.137 54.626 1.00 0.00 C ATOM 1590 C MET B 50 76.475 -15.847 55.929 1.00 0.00 C ATOM 1591 O MET B 50 77.635 -16.179 56.074 1.00 0.00 O ATOM 1592 CB MET B 50 75.273 -17.600 54.630 1.00 0.00 C ATOM 1593 CG MET B 50 74.469 -17.899 53.365 1.00 0.00 C ATOM 1594 SD MET B 50 73.944 -19.632 53.387 1.00 0.00 S ATOM 1595 CE MET B 50 73.043 -19.623 51.818 1.00 0.00 C ATOM 0 H MET B 50 77.002 -16.736 53.025 1.00 0.00 H new ATOM 0 HA MET B 50 74.858 -15.481 54.547 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.141 -18.258 54.684 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.666 -17.800 55.513 1.00 0.00 H new ATOM 0 HG2 MET B 50 73.599 -17.244 53.309 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.074 -17.701 52.480 1.00 0.00 H new ATOM 0 HE1 MET B 50 72.628 -20.613 51.631 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.234 -18.894 51.867 1.00 0.00 H new ATOM 0 HE3 MET B 50 73.723 -19.356 51.009 1.00 0.00 H new ATOM 1605 N HIS B 51 75.821 -15.243 56.887 1.00 0.00 N ATOM 1606 CA HIS B 51 76.496 -14.951 58.187 1.00 0.00 C ATOM 1607 C HIS B 51 76.389 -16.171 59.106 1.00 0.00 C ATOM 1608 O HIS B 51 75.382 -16.850 59.140 1.00 0.00 O ATOM 1609 CB HIS B 51 75.833 -13.745 58.853 1.00 0.00 C ATOM 1610 CG HIS B 51 76.168 -12.503 58.075 1.00 0.00 C ATOM 1611 ND1 HIS B 51 75.439 -12.104 56.963 1.00 0.00 N ATOM 1612 CD2 HIS B 51 77.157 -11.563 58.232 1.00 0.00 C ATOM 1613 CE1 HIS B 51 75.995 -10.971 56.499 1.00 0.00 C ATOM 1614 NE2 HIS B 51 77.044 -10.601 57.236 1.00 0.00 N ATOM 0 H HIS B 51 74.849 -14.939 56.826 1.00 0.00 H new ATOM 0 HA HIS B 51 77.547 -14.727 58.005 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.753 -13.884 58.891 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.178 -13.648 59.882 1.00 0.00 H new ATOM 0 HD2 HIS B 51 77.907 -11.570 59.009 1.00 0.00 H new ATOM 0 HE1 HIS B 51 75.637 -10.428 55.637 1.00 0.00 H new ATOM 0 HE2 HIS B 51 77.638 -9.784 57.097 1.00 0.00 H new ATOM 1623 N GLY B 52 77.424 -16.451 59.852 1.00 0.00 N ATOM 1624 CA GLY B 52 77.398 -17.626 60.774 1.00 0.00 C ATOM 1625 C GLY B 52 78.824 -18.143 60.955 1.00 0.00 C ATOM 1626 O GLY B 52 79.688 -17.895 60.137 1.00 0.00 O ATOM 0 H GLY B 52 78.291 -15.914 59.863 1.00 0.00 H new ATOM 0 HA2 GLY B 52 76.975 -17.340 61.737 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.761 -18.411 60.367 1.00 0.00 H new ATOM 1630 N GLN B 53 79.089 -18.860 62.013 1.00 0.00 N ATOM 1631 CA GLN B 53 80.470 -19.382 62.220 1.00 0.00 C ATOM 1632 C GLN B 53 80.653 -20.658 61.398 1.00 0.00 C ATOM 1633 O GLN B 53 79.945 -21.630 61.577 1.00 0.00 O ATOM 1634 CB GLN B 53 80.685 -19.693 63.704 1.00 0.00 C ATOM 1635 CG GLN B 53 82.119 -20.184 63.920 1.00 0.00 C ATOM 1636 CD GLN B 53 82.403 -20.298 65.419 1.00 0.00 C ATOM 1637 OE1 GLN B 53 82.855 -19.354 66.035 1.00 0.00 O ATOM 1638 NE2 GLN B 53 82.170 -21.425 66.035 1.00 0.00 N ATOM 0 H GLN B 53 78.415 -19.106 62.738 1.00 0.00 H new ATOM 0 HA GLN B 53 81.195 -18.633 61.901 1.00 0.00 H new ATOM 0 HB2 GLN B 53 80.500 -18.802 64.304 1.00 0.00 H new ATOM 0 HB3 GLN B 53 79.976 -20.452 64.034 1.00 0.00 H new ATOM 0 HG2 GLN B 53 82.259 -21.152 63.439 1.00 0.00 H new ATOM 0 HG3 GLN B 53 82.824 -19.493 63.458 1.00 0.00 H new ATOM 0 HE21 GLN B 53 81.790 -22.219 65.519 1.00 0.00 H new ATOM 0 HE22 GLN B 53 82.368 -21.512 67.032 1.00 0.00 H new ATOM 1647 N VAL B 54 81.602 -20.661 60.495 1.00 0.00 N ATOM 1648 CA VAL B 54 81.848 -21.870 59.649 1.00 0.00 C ATOM 1649 C VAL B 54 83.099 -22.585 60.158 1.00 0.00 C ATOM 1650 O VAL B 54 84.175 -22.022 60.189 1.00 0.00 O ATOM 1651 CB VAL B 54 82.069 -21.437 58.197 1.00 0.00 C ATOM 1652 CG1 VAL B 54 82.285 -22.674 57.321 1.00 0.00 C ATOM 1653 CG2 VAL B 54 80.842 -20.666 57.703 1.00 0.00 C ATOM 0 H VAL B 54 82.221 -19.873 60.306 1.00 0.00 H new ATOM 0 HA VAL B 54 80.990 -22.540 59.702 1.00 0.00 H new ATOM 0 HB VAL B 54 82.948 -20.795 58.139 1.00 0.00 H new ATOM 0 HG11 VAL B 54 82.442 -22.365 56.288 1.00 0.00 H new ATOM 0 HG12 VAL B 54 83.159 -23.221 57.673 1.00 0.00 H new ATOM 0 HG13 VAL B 54 81.407 -23.318 57.378 1.00 0.00 H new ATOM 0 HG21 VAL B 54 80.998 -20.357 56.669 1.00 0.00 H new ATOM 0 HG22 VAL B 54 79.962 -21.307 57.761 1.00 0.00 H new ATOM 0 HG23 VAL B 54 80.691 -19.785 58.326 1.00 0.00 H new ATOM 1663 N ASP B 55 82.971 -23.820 60.562 1.00 0.00 N ATOM 1664 CA ASP B 55 84.157 -24.569 61.074 1.00 0.00 C ATOM 1665 C ASP B 55 84.001 -26.054 60.750 1.00 0.00 C ATOM 1666 O ASP B 55 83.159 -26.376 59.929 1.00 0.00 O ATOM 1667 CB ASP B 55 84.254 -24.390 62.591 1.00 0.00 C ATOM 1668 CG ASP B 55 82.995 -24.954 63.249 1.00 0.00 C ATOM 1669 OD1 ASP B 55 81.997 -25.086 62.559 1.00 0.00 O ATOM 1670 OD2 ASP B 55 83.050 -25.248 64.432 1.00 0.00 O ATOM 1671 OXT ASP B 55 84.727 -26.845 61.329 1.00 0.00 O ATOM 0 H ASP B 55 82.096 -24.344 60.560 1.00 0.00 H new ATOM 0 HA ASP B 55 85.061 -24.186 60.601 1.00 0.00 H new ATOM 0 HB2 ASP B 55 85.138 -24.901 62.973 1.00 0.00 H new ATOM 0 HB3 ASP B 55 84.365 -23.334 62.838 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.773 -1.561 36.035 1.00 0.00 CD HETATM 1678 CD CD B 56 89.797 -21.808 38.676 1.00 0.00 CD