USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 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 Single : A 1 PHE N :NH3+ 140:sc= 1.08 (180deg=0.282) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.252 (180deg=-0.951) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0.102 (180deg=0.0462) USER MOD Single : A 15 TYR OH : rot -25:sc= 0.0532 USER MOD Single : A 16 HIS : no HE2:sc= -0.676 K(o=-0.68,f=-1.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.26 (180deg=-1.44!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 134:sc= 0.227 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0233 (180deg=-0.272) USER MOD Single : A 44 GLN :FLIP amide:sc= -1.45 F(o=-3!,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.318 (180deg=-0.908) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.33) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 1 PHE N :NH3+ 140:sc= 1.01 (180deg=0.301) USER MOD Single : B 7 LYS NZ :NH3+ 164:sc= -0.23 (180deg=-0.979) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 14 LYS NZ :NH3+ 163:sc= 0.102 (180deg=0.0435) USER MOD Single : B 15 TYR OH : rot -21:sc= 0.0511 USER MOD Single : B 16 HIS : no HE2:sc= -0.629 K(o=-0.63,f=-1.6) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 156:sc= -0.228 (180deg=-1.39!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 136:sc= 0.251 USER MOD Single : B 42 LYS NZ :NH3+ -164:sc= -0.0226 (180deg=-0.313) USER MOD Single : B 44 GLN : amide:sc= -0.612 K(o=-0.61,f=-2.7) USER MOD Single : B 46 LYS NZ :NH3+ 166:sc= -0.323 (180deg=-0.91) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.37) USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.222 -4.781 23.830 1.00 0.00 N ATOM 2 CA PHE A 1 94.838 -3.909 24.869 1.00 0.00 C ATOM 3 C PHE A 1 94.814 -2.463 24.383 1.00 0.00 C ATOM 4 O PHE A 1 95.838 -1.858 24.137 1.00 0.00 O ATOM 5 CB PHE A 1 96.280 -4.339 25.099 1.00 0.00 C ATOM 6 CG PHE A 1 96.344 -5.843 25.245 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.918 -6.453 26.432 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.829 -6.628 24.190 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.978 -7.848 26.561 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.888 -8.021 24.323 1.00 0.00 C ATOM 11 CZ PHE A 1 96.463 -8.630 25.507 1.00 0.00 C ATOM 0 H1 PHE A 1 94.763 -5.666 23.754 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.240 -4.997 24.096 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.232 -4.289 22.914 1.00 0.00 H new ATOM 0 HA PHE A 1 94.280 -3.995 25.801 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.903 -4.018 24.265 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.675 -3.859 25.995 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.544 -5.850 27.246 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.157 -6.159 23.274 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.649 -8.320 27.475 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.262 -8.625 23.510 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.509 -9.704 25.608 1.00 0.00 H new ATOM 23 N LEU A 2 93.647 -1.916 24.232 1.00 0.00 N ATOM 24 CA LEU A 2 93.522 -0.509 23.746 1.00 0.00 C ATOM 25 C LEU A 2 93.408 0.458 24.916 1.00 0.00 C ATOM 26 O LEU A 2 92.775 0.181 25.907 1.00 0.00 O ATOM 27 CB LEU A 2 92.274 -0.374 22.870 1.00 0.00 C ATOM 28 CG LEU A 2 92.378 -1.300 21.650 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.042 -1.289 20.899 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.501 -0.824 20.712 1.00 0.00 C ATOM 0 H LEU A 2 92.761 -2.384 24.425 1.00 0.00 H new ATOM 0 HA LEU A 2 94.414 -0.267 23.169 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.385 -0.623 23.450 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.161 0.659 22.542 1.00 0.00 H new ATOM 0 HG LEU A 2 92.608 -2.311 21.985 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.107 -1.945 20.031 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.250 -1.641 21.560 1.00 0.00 H new ATOM 0 HD13 LEU A 2 90.817 -0.274 20.571 1.00 0.00 H new ATOM 0 HD21 LEU A 2 93.563 -1.490 19.851 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.286 0.189 20.372 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.451 -0.833 21.247 1.00 0.00 H new ATOM 42 N ASP A 3 94.009 1.608 24.789 1.00 0.00 N ATOM 43 CA ASP A 3 93.922 2.614 25.877 1.00 0.00 C ATOM 44 C ASP A 3 92.446 2.955 26.075 1.00 0.00 C ATOM 45 O ASP A 3 91.973 3.098 27.186 1.00 0.00 O ATOM 46 CB ASP A 3 94.694 3.874 25.481 1.00 0.00 C ATOM 47 CG ASP A 3 94.615 4.900 26.613 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.854 4.672 27.538 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.313 5.897 26.532 1.00 0.00 O ATOM 0 H ASP A 3 94.557 1.892 23.977 1.00 0.00 H new ATOM 0 HA ASP A 3 94.352 2.220 26.798 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.735 3.625 25.274 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.279 4.295 24.565 1.00 0.00 H new ATOM 54 N GLY A 4 91.711 3.067 24.996 1.00 0.00 N ATOM 55 CA GLY A 4 90.253 3.378 25.099 1.00 0.00 C ATOM 56 C GLY A 4 89.631 2.508 26.193 1.00 0.00 C ATOM 57 O GLY A 4 88.568 2.797 26.706 1.00 0.00 O ATOM 0 H GLY A 4 92.061 2.956 24.044 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.109 4.433 25.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.760 3.191 24.145 1.00 0.00 H new ATOM 61 N ILE A 5 90.302 1.453 26.566 1.00 0.00 N ATOM 62 CA ILE A 5 89.775 0.570 27.641 1.00 0.00 C ATOM 63 C ILE A 5 89.620 1.390 28.923 1.00 0.00 C ATOM 64 O ILE A 5 88.655 1.252 29.648 1.00 0.00 O ATOM 65 CB ILE A 5 90.754 -0.592 27.858 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.686 -1.540 26.660 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.394 -1.357 29.134 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.854 -2.530 26.722 1.00 0.00 C ATOM 0 H ILE A 5 91.197 1.165 26.170 1.00 0.00 H new ATOM 0 HA ILE A 5 88.803 0.164 27.361 1.00 0.00 H new ATOM 0 HB ILE A 5 91.763 -0.193 27.958 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.739 -2.079 26.663 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.726 -0.972 25.731 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.096 -2.179 29.276 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.446 -0.683 29.989 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.383 -1.755 29.047 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.804 -3.205 25.868 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.796 -1.983 26.698 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.793 -3.107 27.645 1.00 0.00 H new ATOM 80 N ASP A 6 90.558 2.251 29.199 1.00 0.00 N ATOM 81 CA ASP A 6 90.456 3.093 30.424 1.00 0.00 C ATOM 82 C ASP A 6 89.178 3.930 30.334 1.00 0.00 C ATOM 83 O ASP A 6 88.471 4.115 31.305 1.00 0.00 O ATOM 84 CB ASP A 6 91.673 4.016 30.521 1.00 0.00 C ATOM 85 CG ASP A 6 91.573 4.864 31.791 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.647 5.652 31.884 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.427 4.711 32.649 1.00 0.00 O ATOM 0 H ASP A 6 91.390 2.409 28.631 1.00 0.00 H new ATOM 0 HA ASP A 6 90.425 2.459 31.310 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.589 3.426 30.537 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.724 4.661 29.644 1.00 0.00 H new ATOM 92 N LYS A 7 88.879 4.431 29.166 1.00 0.00 N ATOM 93 CA LYS A 7 87.648 5.253 28.991 1.00 0.00 C ATOM 94 C LYS A 7 86.426 4.366 29.221 1.00 0.00 C ATOM 95 O LYS A 7 85.445 4.776 29.808 1.00 0.00 O ATOM 96 CB LYS A 7 87.595 5.808 27.564 1.00 0.00 C ATOM 97 CG LYS A 7 88.694 6.853 27.370 1.00 0.00 C ATOM 98 CD LYS A 7 88.695 7.344 25.914 1.00 0.00 C ATOM 99 CE LYS A 7 87.395 8.096 25.592 1.00 0.00 C ATOM 100 NZ LYS A 7 87.004 8.953 26.747 1.00 0.00 N ATOM 0 H LYS A 7 89.437 4.305 28.322 1.00 0.00 H new ATOM 0 HA LYS A 7 87.657 6.079 29.702 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.720 4.998 26.845 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.619 6.255 27.374 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.533 7.693 28.046 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.664 6.424 27.619 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.550 7.999 25.747 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.806 6.495 25.239 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.531 8.710 24.702 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.599 7.385 25.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.363 9.704 26.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.521 8.372 27.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.854 9.381 27.165 1.00 0.00 H new ATOM 114 N ALA A 8 86.482 3.149 28.751 1.00 0.00 N ATOM 115 CA ALA A 8 85.330 2.220 28.919 1.00 0.00 C ATOM 116 C ALA A 8 85.035 2.015 30.408 1.00 0.00 C ATOM 117 O ALA A 8 83.894 1.899 30.808 1.00 0.00 O ATOM 118 CB ALA A 8 85.671 0.873 28.274 1.00 0.00 C ATOM 0 H ALA A 8 87.282 2.757 28.255 1.00 0.00 H new ATOM 0 HA ALA A 8 84.449 2.647 28.439 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.831 0.189 28.394 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.872 1.018 27.213 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.553 0.452 28.756 1.00 0.00 H new ATOM 124 N GLN A 9 86.045 1.966 31.234 1.00 0.00 N ATOM 125 CA GLN A 9 85.794 1.763 32.690 1.00 0.00 C ATOM 126 C GLN A 9 84.929 2.909 33.220 1.00 0.00 C ATOM 127 O GLN A 9 84.023 2.707 34.004 1.00 0.00 O ATOM 128 CB GLN A 9 87.129 1.749 33.443 1.00 0.00 C ATOM 129 CG GLN A 9 87.899 0.472 33.098 1.00 0.00 C ATOM 130 CD GLN A 9 89.231 0.461 33.852 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.296 0.848 35.001 1.00 0.00 O ATOM 132 NE2 GLN A 9 90.305 0.026 33.249 1.00 0.00 N ATOM 0 H GLN A 9 87.025 2.057 30.967 1.00 0.00 H new ATOM 0 HA GLN A 9 85.280 0.814 32.840 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.719 2.625 33.174 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.953 1.801 34.517 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.310 -0.405 33.366 1.00 0.00 H new ATOM 0 HG3 GLN A 9 88.076 0.420 32.024 1.00 0.00 H new ATOM 0 HE21 GLN A 9 90.252 -0.299 32.284 1.00 0.00 H new ATOM 0 HE22 GLN A 9 91.197 0.012 33.743 1.00 0.00 H new ATOM 141 N GLU A 10 85.201 4.109 32.793 1.00 0.00 N ATOM 142 CA GLU A 10 84.398 5.273 33.259 1.00 0.00 C ATOM 143 C GLU A 10 82.939 5.091 32.839 1.00 0.00 C ATOM 144 O GLU A 10 82.024 5.417 33.569 1.00 0.00 O ATOM 145 CB GLU A 10 84.947 6.553 32.626 1.00 0.00 C ATOM 146 CG GLU A 10 86.317 6.875 33.223 1.00 0.00 C ATOM 147 CD GLU A 10 86.863 8.156 32.587 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.273 8.613 31.622 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.864 8.656 33.073 1.00 0.00 O ATOM 0 H GLU A 10 85.949 4.335 32.138 1.00 0.00 H new ATOM 0 HA GLU A 10 84.459 5.343 34.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.030 6.430 31.546 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.260 7.381 32.801 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.235 6.999 34.303 1.00 0.00 H new ATOM 0 HG3 GLU A 10 87.005 6.048 33.048 1.00 0.00 H new ATOM 156 N GLU A 11 82.720 4.597 31.649 1.00 0.00 N ATOM 157 CA GLU A 11 81.324 4.418 31.142 1.00 0.00 C ATOM 158 C GLU A 11 80.826 2.989 31.395 1.00 0.00 C ATOM 159 O GLU A 11 79.784 2.600 30.907 1.00 0.00 O ATOM 160 CB GLU A 11 81.312 4.693 29.639 1.00 0.00 C ATOM 161 CG GLU A 11 81.657 6.163 29.389 1.00 0.00 C ATOM 162 CD GLU A 11 81.705 6.430 27.884 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.768 6.269 27.308 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.679 6.793 27.333 1.00 0.00 O ATOM 0 H GLU A 11 83.452 4.307 31.001 1.00 0.00 H new ATOM 0 HA GLU A 11 80.666 5.110 31.668 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.031 4.048 29.134 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.331 4.462 29.224 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.913 6.807 29.859 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.619 6.403 29.842 1.00 0.00 H new ATOM 171 N CYS A 12 81.543 2.204 32.154 1.00 0.00 N ATOM 172 CA CYS A 12 81.072 0.811 32.424 1.00 0.00 C ATOM 173 C CYS A 12 79.613 0.861 32.883 1.00 0.00 C ATOM 174 O CYS A 12 78.796 0.053 32.490 1.00 0.00 O ATOM 175 CB CYS A 12 81.926 0.180 33.530 1.00 0.00 C ATOM 176 SG CYS A 12 81.365 -1.515 33.833 1.00 0.00 S ATOM 0 H CYS A 12 82.426 2.462 32.595 1.00 0.00 H new ATOM 0 HA CYS A 12 81.160 0.214 31.516 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.976 0.180 33.238 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.849 0.769 34.444 1.00 0.00 H new ATOM 181 N GLU A 13 79.286 1.811 33.712 1.00 0.00 N ATOM 182 CA GLU A 13 77.884 1.933 34.204 1.00 0.00 C ATOM 183 C GLU A 13 76.942 2.172 33.020 1.00 0.00 C ATOM 184 O GLU A 13 75.823 1.699 32.999 1.00 0.00 O ATOM 185 CB GLU A 13 77.790 3.116 35.170 1.00 0.00 C ATOM 186 CG GLU A 13 78.554 2.790 36.455 1.00 0.00 C ATOM 187 CD GLU A 13 78.465 3.975 37.418 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.941 5.002 37.018 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.928 3.837 38.539 1.00 0.00 O ATOM 0 H GLU A 13 79.932 2.513 34.073 1.00 0.00 H new ATOM 0 HA GLU A 13 77.598 1.014 34.716 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.204 4.011 34.706 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.746 3.329 35.400 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.138 1.897 36.921 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.597 2.573 36.225 1.00 0.00 H new ATOM 196 N LYS A 14 77.382 2.921 32.046 1.00 0.00 N ATOM 197 CA LYS A 14 76.510 3.218 30.872 1.00 0.00 C ATOM 198 C LYS A 14 76.111 1.918 30.162 1.00 0.00 C ATOM 199 O LYS A 14 74.988 1.767 29.721 1.00 0.00 O ATOM 200 CB LYS A 14 77.271 4.120 29.893 1.00 0.00 C ATOM 201 CG LYS A 14 76.351 4.517 28.733 1.00 0.00 C ATOM 202 CD LYS A 14 77.115 5.404 27.738 1.00 0.00 C ATOM 203 CE LYS A 14 77.204 6.844 28.257 1.00 0.00 C ATOM 204 NZ LYS A 14 77.626 7.740 27.144 1.00 0.00 N ATOM 0 H LYS A 14 78.311 3.342 32.012 1.00 0.00 H new ATOM 0 HA LYS A 14 75.608 3.722 31.218 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.628 5.012 30.408 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.149 3.599 29.511 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.982 3.624 28.228 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.480 5.050 29.114 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.117 5.005 27.582 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.613 5.391 26.771 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.238 7.162 28.650 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.918 6.904 29.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.415 8.727 27.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.648 7.635 26.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.110 7.484 26.278 1.00 0.00 H new ATOM 218 N TYR A 15 77.013 0.982 30.032 1.00 0.00 N ATOM 219 CA TYR A 15 76.662 -0.292 29.333 1.00 0.00 C ATOM 220 C TYR A 15 76.037 -1.272 30.326 1.00 0.00 C ATOM 221 O TYR A 15 75.382 -2.221 29.943 1.00 0.00 O ATOM 222 CB TYR A 15 77.926 -0.909 28.732 1.00 0.00 C ATOM 223 CG TYR A 15 78.480 0.021 27.680 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.022 -0.063 26.360 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.444 0.975 28.027 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.530 0.805 25.386 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.951 1.844 27.053 1.00 0.00 C ATOM 228 CZ TYR A 15 79.494 1.760 25.733 1.00 0.00 C ATOM 229 OH TYR A 15 79.994 2.617 24.774 1.00 0.00 O ATOM 0 H TYR A 15 77.971 1.042 30.376 1.00 0.00 H new ATOM 0 HA TYR A 15 75.946 -0.081 28.538 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.668 -1.079 29.512 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.698 -1.880 28.292 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.277 -0.797 26.093 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.797 1.041 29.046 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.179 0.738 24.367 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.695 2.579 27.321 1.00 0.00 H new ATOM 0 HH TYR A 15 79.906 2.205 23.889 1.00 0.00 H new ATOM 239 N HIS A 16 76.228 -1.043 31.596 1.00 0.00 N ATOM 240 CA HIS A 16 75.637 -1.947 32.625 1.00 0.00 C ATOM 241 C HIS A 16 76.105 -3.386 32.386 1.00 0.00 C ATOM 242 O HIS A 16 77.286 -3.660 32.296 1.00 0.00 O ATOM 243 CB HIS A 16 74.106 -1.885 32.560 1.00 0.00 C ATOM 244 CG HIS A 16 73.645 -0.460 32.712 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.464 0.379 31.621 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.314 0.286 33.818 1.00 0.00 C ATOM 247 CE1 HIS A 16 73.039 1.567 32.090 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.932 1.561 33.419 1.00 0.00 N ATOM 0 H HIS A 16 76.771 -0.264 31.968 1.00 0.00 H new ATOM 0 HA HIS A 16 75.967 -1.622 33.612 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.757 -2.290 31.610 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.674 -2.502 33.348 1.00 0.00 H new ATOM 0 HD1 HIS A 16 73.624 0.139 30.643 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.346 -0.065 34.839 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.813 2.420 31.467 1.00 0.00 H new ATOM 257 N SER A 17 75.183 -4.310 32.295 1.00 0.00 N ATOM 258 CA SER A 17 75.556 -5.739 32.076 1.00 0.00 C ATOM 259 C SER A 17 75.727 -6.033 30.580 1.00 0.00 C ATOM 260 O SER A 17 76.180 -7.096 30.203 1.00 0.00 O ATOM 261 CB SER A 17 74.459 -6.637 32.648 1.00 0.00 C ATOM 262 OG SER A 17 74.329 -6.390 34.043 1.00 0.00 O ATOM 0 H SER A 17 74.181 -4.134 32.364 1.00 0.00 H new ATOM 0 HA SER A 17 76.503 -5.936 32.579 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.513 -6.442 32.143 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.703 -7.685 32.474 1.00 0.00 H new ATOM 0 HG SER A 17 73.625 -6.963 34.412 1.00 0.00 H new ATOM 268 N ASN A 18 75.371 -5.115 29.722 1.00 0.00 N ATOM 269 CA ASN A 18 75.522 -5.376 28.258 1.00 0.00 C ATOM 270 C ASN A 18 76.976 -5.149 27.838 1.00 0.00 C ATOM 271 O ASN A 18 77.303 -4.162 27.209 1.00 0.00 O ATOM 272 CB ASN A 18 74.618 -4.429 27.465 1.00 0.00 C ATOM 273 CG ASN A 18 73.152 -4.818 27.665 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.853 -5.935 28.040 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.221 -3.938 27.423 1.00 0.00 N ATOM 0 H ASN A 18 74.985 -4.203 29.967 1.00 0.00 H new ATOM 0 HA ASN A 18 75.239 -6.408 28.053 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.778 -3.401 27.791 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.873 -4.471 26.406 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.240 -4.186 27.548 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.474 -3.001 27.108 1.00 0.00 H new ATOM 282 N TRP A 19 77.850 -6.061 28.171 1.00 0.00 N ATOM 283 CA TRP A 19 79.278 -5.900 27.777 1.00 0.00 C ATOM 284 C TRP A 19 79.413 -6.075 26.261 1.00 0.00 C ATOM 285 O TRP A 19 80.319 -5.552 25.644 1.00 0.00 O ATOM 286 CB TRP A 19 80.137 -6.947 28.496 1.00 0.00 C ATOM 287 CG TRP A 19 79.659 -8.326 28.164 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.743 -9.021 28.879 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.051 -9.188 27.055 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.551 -10.254 28.284 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.332 -10.405 27.155 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.949 -9.038 25.981 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.498 -11.432 26.227 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.118 -10.071 25.045 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.393 -11.266 25.167 1.00 0.00 C ATOM 0 H TRP A 19 77.637 -6.908 28.698 1.00 0.00 H new ATOM 0 HA TRP A 19 79.619 -4.904 28.059 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.181 -6.836 28.202 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.091 -6.788 29.573 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.243 -8.669 29.770 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.911 -10.966 28.636 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.512 -8.122 25.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.938 -12.350 26.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.811 -9.945 24.226 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.526 -12.056 24.443 1.00 0.00 H new ATOM 306 N ARG A 20 78.524 -6.819 25.662 1.00 0.00 N ATOM 307 CA ARG A 20 78.600 -7.045 24.191 1.00 0.00 C ATOM 308 C ARG A 20 78.490 -5.714 23.439 1.00 0.00 C ATOM 309 O ARG A 20 79.172 -5.489 22.458 1.00 0.00 O ATOM 310 CB ARG A 20 77.448 -7.958 23.774 1.00 0.00 C ATOM 311 CG ARG A 20 77.706 -9.364 24.316 1.00 0.00 C ATOM 312 CD ARG A 20 76.563 -10.295 23.911 1.00 0.00 C ATOM 313 NE ARG A 20 76.786 -11.638 24.516 1.00 0.00 N ATOM 314 CZ ARG A 20 75.813 -12.505 24.556 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.656 -12.210 24.028 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.998 -13.667 25.119 1.00 0.00 N ATOM 0 H ARG A 20 77.745 -7.282 26.130 1.00 0.00 H new ATOM 0 HA ARG A 20 79.557 -7.506 23.947 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.504 -7.573 24.160 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.362 -7.983 22.688 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.651 -9.745 23.929 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.795 -9.334 25.402 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.609 -9.886 24.245 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.512 -10.376 22.825 1.00 0.00 H new ATOM 0 HE ARG A 20 77.700 -11.879 24.899 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.514 -11.302 23.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.894 -12.887 24.059 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.904 -13.897 25.528 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.237 -14.345 25.150 1.00 0.00 H new ATOM 330 N ALA A 21 77.637 -4.834 23.884 1.00 0.00 N ATOM 331 CA ALA A 21 77.488 -3.525 23.183 1.00 0.00 C ATOM 332 C ALA A 21 78.779 -2.720 23.338 1.00 0.00 C ATOM 333 O ALA A 21 79.243 -2.083 22.413 1.00 0.00 O ATOM 334 CB ALA A 21 76.320 -2.746 23.796 1.00 0.00 C ATOM 0 H ALA A 21 77.038 -4.962 24.700 1.00 0.00 H new ATOM 0 HA ALA A 21 77.290 -3.697 22.125 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.212 -1.790 23.284 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.401 -3.322 23.687 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.515 -2.571 24.854 1.00 0.00 H new ATOM 340 N MET A 22 79.363 -2.749 24.504 1.00 0.00 N ATOM 341 CA MET A 22 80.626 -1.995 24.732 1.00 0.00 C ATOM 342 C MET A 22 81.721 -2.534 23.805 1.00 0.00 C ATOM 343 O MET A 22 82.476 -1.784 23.220 1.00 0.00 O ATOM 344 CB MET A 22 81.048 -2.174 26.188 1.00 0.00 C ATOM 345 CG MET A 22 82.340 -1.402 26.457 1.00 0.00 C ATOM 346 SD MET A 22 82.691 -1.425 28.234 1.00 0.00 S ATOM 347 CE MET A 22 82.809 -3.220 28.432 1.00 0.00 C ATOM 0 H MET A 22 79.017 -3.266 25.313 1.00 0.00 H new ATOM 0 HA MET A 22 80.472 -0.937 24.520 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.258 -1.819 26.850 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.195 -3.232 26.405 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.167 -1.850 25.905 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.243 -0.374 26.107 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.432 -3.451 29.296 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.813 -3.636 28.582 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.253 -3.656 27.537 1.00 0.00 H new ATOM 357 N ALA A 23 81.810 -3.830 23.664 1.00 0.00 N ATOM 358 CA ALA A 23 82.854 -4.412 22.775 1.00 0.00 C ATOM 359 C ALA A 23 82.693 -3.836 21.365 1.00 0.00 C ATOM 360 O ALA A 23 83.658 -3.531 20.691 1.00 0.00 O ATOM 361 CB ALA A 23 82.690 -5.933 22.725 1.00 0.00 C ATOM 0 H ALA A 23 81.205 -4.509 24.126 1.00 0.00 H new ATOM 0 HA ALA A 23 83.843 -4.166 23.161 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.453 -6.360 22.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.797 -6.344 23.729 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.702 -6.180 22.336 1.00 0.00 H new ATOM 367 N SER A 24 81.476 -3.688 20.917 1.00 0.00 N ATOM 368 CA SER A 24 81.238 -3.134 19.553 1.00 0.00 C ATOM 369 C SER A 24 81.661 -1.664 19.510 1.00 0.00 C ATOM 370 O SER A 24 82.161 -1.183 18.514 1.00 0.00 O ATOM 371 CB SER A 24 79.751 -3.246 19.215 1.00 0.00 C ATOM 372 OG SER A 24 79.520 -2.695 17.926 1.00 0.00 O ATOM 0 H SER A 24 80.633 -3.928 21.439 1.00 0.00 H new ATOM 0 HA SER A 24 81.824 -3.697 18.826 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.439 -4.290 19.238 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.156 -2.719 19.961 1.00 0.00 H new ATOM 0 HG SER A 24 78.568 -2.767 17.705 1.00 0.00 H new ATOM 378 N ASP A 25 81.455 -0.946 20.578 1.00 0.00 N ATOM 379 CA ASP A 25 81.832 0.497 20.589 1.00 0.00 C ATOM 380 C ASP A 25 83.354 0.629 20.586 1.00 0.00 C ATOM 381 O ASP A 25 83.916 1.446 19.884 1.00 0.00 O ATOM 382 CB ASP A 25 81.284 1.147 21.856 1.00 0.00 C ATOM 383 CG ASP A 25 81.401 2.668 21.742 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.188 3.122 20.926 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.701 3.354 22.468 1.00 0.00 O ATOM 0 H ASP A 25 81.042 -1.294 21.443 1.00 0.00 H new ATOM 0 HA ASP A 25 81.419 0.986 19.707 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.242 0.862 22.002 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.836 0.794 22.727 1.00 0.00 H new ATOM 390 N PHE A 26 84.024 -0.169 21.369 1.00 0.00 N ATOM 391 CA PHE A 26 85.518 -0.096 21.423 1.00 0.00 C ATOM 392 C PHE A 26 86.119 -1.138 20.471 1.00 0.00 C ATOM 393 O PHE A 26 87.321 -1.248 20.337 1.00 0.00 O ATOM 394 CB PHE A 26 85.991 -0.364 22.853 1.00 0.00 C ATOM 395 CG PHE A 26 85.583 0.790 23.737 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.434 1.891 23.887 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.350 0.764 24.400 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.053 2.964 24.702 1.00 0.00 C ATOM 399 CE2 PHE A 26 83.969 1.837 25.215 1.00 0.00 C ATOM 400 CZ PHE A 26 84.821 2.936 25.366 1.00 0.00 C ATOM 0 H PHE A 26 83.604 -0.872 21.977 1.00 0.00 H new ATOM 0 HA PHE A 26 85.845 0.898 21.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.557 -1.293 23.224 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.074 -0.488 22.873 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.384 1.913 23.374 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.692 -0.084 24.283 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.710 3.813 24.818 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.018 1.816 25.727 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.528 3.763 25.995 1.00 0.00 H new ATOM 410 N ASN A 27 85.289 -1.893 19.800 1.00 0.00 N ATOM 411 CA ASN A 27 85.805 -2.917 18.842 1.00 0.00 C ATOM 412 C ASN A 27 86.822 -3.830 19.530 1.00 0.00 C ATOM 413 O ASN A 27 87.904 -4.055 19.026 1.00 0.00 O ATOM 414 CB ASN A 27 86.469 -2.213 17.656 1.00 0.00 C ATOM 415 CG ASN A 27 85.437 -1.335 16.947 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.700 -0.187 16.650 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.263 -1.830 16.666 1.00 0.00 N ATOM 0 H ASN A 27 84.273 -1.845 19.874 1.00 0.00 H new ATOM 0 HA ASN A 27 84.971 -3.525 18.492 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.305 -1.605 18.001 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.875 -2.949 16.962 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.565 -1.253 16.197 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.043 -2.794 16.916 1.00 0.00 H new ATOM 424 N LEU A 28 86.475 -4.364 20.676 1.00 0.00 N ATOM 425 CA LEU A 28 87.408 -5.277 21.415 1.00 0.00 C ATOM 426 C LEU A 28 86.773 -6.672 21.523 1.00 0.00 C ATOM 427 O LEU A 28 85.565 -6.802 21.561 1.00 0.00 O ATOM 428 CB LEU A 28 87.626 -4.721 22.826 1.00 0.00 C ATOM 429 CG LEU A 28 88.626 -3.549 22.786 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.449 -2.678 24.035 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.074 -4.081 22.747 1.00 0.00 C ATOM 0 H LEU A 28 85.578 -4.206 21.136 1.00 0.00 H new ATOM 0 HA LEU A 28 88.358 -5.345 20.885 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.677 -4.385 23.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.002 -5.507 23.481 1.00 0.00 H new ATOM 0 HG LEU A 28 88.435 -2.959 21.890 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.157 -1.850 24.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.433 -2.285 24.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.631 -3.279 24.926 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.769 -3.242 22.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.265 -4.681 23.637 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.212 -4.696 21.858 1.00 0.00 H new ATOM 443 N PRO A 29 87.574 -7.711 21.586 1.00 0.00 N ATOM 444 CA PRO A 29 87.058 -9.106 21.711 1.00 0.00 C ATOM 445 C PRO A 29 86.495 -9.371 23.122 1.00 0.00 C ATOM 446 O PRO A 29 86.938 -8.774 24.082 1.00 0.00 O ATOM 447 CB PRO A 29 88.298 -9.970 21.443 1.00 0.00 C ATOM 448 CG PRO A 29 89.444 -9.121 21.884 1.00 0.00 C ATOM 449 CD PRO A 29 89.049 -7.682 21.547 1.00 0.00 C ATOM 0 HA PRO A 29 86.236 -9.314 21.026 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.259 -10.906 22.001 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.380 -10.231 20.388 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.628 -9.236 22.952 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.362 -9.405 21.370 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.456 -6.975 22.270 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.419 -7.384 20.566 1.00 0.00 H new ATOM 457 N PRO A 30 85.531 -10.253 23.258 1.00 0.00 N ATOM 458 CA PRO A 30 84.928 -10.577 24.585 1.00 0.00 C ATOM 459 C PRO A 30 85.968 -10.684 25.714 1.00 0.00 C ATOM 460 O PRO A 30 85.649 -10.527 26.875 1.00 0.00 O ATOM 461 CB PRO A 30 84.266 -11.937 24.342 1.00 0.00 C ATOM 462 CG PRO A 30 83.874 -11.924 22.899 1.00 0.00 C ATOM 463 CD PRO A 30 84.904 -11.043 22.175 1.00 0.00 C ATOM 0 HA PRO A 30 84.244 -9.795 24.916 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.954 -12.755 24.557 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.397 -12.074 24.986 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.871 -12.934 22.489 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.867 -11.526 22.774 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.641 -11.646 21.644 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.428 -10.398 21.436 1.00 0.00 H new ATOM 471 N VAL A 31 87.198 -10.970 25.388 1.00 0.00 N ATOM 472 CA VAL A 31 88.235 -11.112 26.455 1.00 0.00 C ATOM 473 C VAL A 31 88.352 -9.819 27.263 1.00 0.00 C ATOM 474 O VAL A 31 88.220 -9.813 28.471 1.00 0.00 O ATOM 475 CB VAL A 31 89.594 -11.419 25.803 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.734 -11.267 26.831 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.578 -12.852 25.267 1.00 0.00 C ATOM 0 H VAL A 31 87.531 -11.111 24.434 1.00 0.00 H new ATOM 0 HA VAL A 31 87.944 -11.923 27.122 1.00 0.00 H new ATOM 0 HB VAL A 31 89.765 -10.716 24.988 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.688 -11.488 26.352 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.747 -10.246 27.211 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.574 -11.960 27.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.538 -13.078 24.803 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.400 -13.546 26.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.784 -12.955 24.527 1.00 0.00 H new ATOM 487 N VAL A 32 88.626 -8.734 26.606 1.00 0.00 N ATOM 488 CA VAL A 32 88.788 -7.443 27.325 1.00 0.00 C ATOM 489 C VAL A 32 87.440 -6.957 27.866 1.00 0.00 C ATOM 490 O VAL A 32 87.358 -6.434 28.958 1.00 0.00 O ATOM 491 CB VAL A 32 89.369 -6.410 26.361 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.335 -5.019 27.004 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.817 -6.790 26.025 1.00 0.00 C ATOM 0 H VAL A 32 88.746 -8.683 25.594 1.00 0.00 H new ATOM 0 HA VAL A 32 89.463 -7.582 28.169 1.00 0.00 H new ATOM 0 HB VAL A 32 88.774 -6.392 25.448 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.751 -4.288 26.311 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.305 -4.752 27.239 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.925 -5.027 27.920 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.236 -6.055 25.337 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.410 -6.810 26.940 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.836 -7.775 25.559 1.00 0.00 H new ATOM 503 N ALA A 33 86.386 -7.108 27.114 1.00 0.00 N ATOM 504 CA ALA A 33 85.065 -6.627 27.605 1.00 0.00 C ATOM 505 C ALA A 33 84.716 -7.352 28.903 1.00 0.00 C ATOM 506 O ALA A 33 84.375 -6.738 29.895 1.00 0.00 O ATOM 507 CB ALA A 33 83.994 -6.909 26.546 1.00 0.00 C ATOM 0 H ALA A 33 86.381 -7.539 26.190 1.00 0.00 H new ATOM 0 HA ALA A 33 85.109 -5.554 27.792 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.027 -6.557 26.904 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.250 -6.389 25.623 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.943 -7.981 26.357 1.00 0.00 H new ATOM 513 N LYS A 34 84.818 -8.648 28.914 1.00 0.00 N ATOM 514 CA LYS A 34 84.514 -9.405 30.159 1.00 0.00 C ATOM 515 C LYS A 34 85.449 -8.957 31.283 1.00 0.00 C ATOM 516 O LYS A 34 85.050 -8.830 32.424 1.00 0.00 O ATOM 517 CB LYS A 34 84.678 -10.904 29.907 1.00 0.00 C ATOM 518 CG LYS A 34 83.547 -11.382 28.994 1.00 0.00 C ATOM 519 CD LYS A 34 83.691 -12.881 28.727 1.00 0.00 C ATOM 520 CE LYS A 34 82.552 -13.342 27.813 1.00 0.00 C ATOM 521 NZ LYS A 34 82.873 -14.681 27.244 1.00 0.00 N ATOM 0 H LYS A 34 85.099 -9.218 28.116 1.00 0.00 H new ATOM 0 HA LYS A 34 83.484 -9.205 30.456 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.645 -11.105 29.445 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.656 -11.449 30.851 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.582 -11.178 29.458 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.571 -10.832 28.053 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.654 -13.088 28.261 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.666 -13.434 29.666 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.619 -13.389 28.375 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.404 -12.621 27.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.097 -14.990 26.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.753 -14.622 26.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.993 -15.367 28.017 1.00 0.00 H new ATOM 535 N GLU A 35 86.694 -8.731 30.975 1.00 0.00 N ATOM 536 CA GLU A 35 87.658 -8.307 32.030 1.00 0.00 C ATOM 537 C GLU A 35 87.219 -6.982 32.657 1.00 0.00 C ATOM 538 O GLU A 35 87.315 -6.795 33.853 1.00 0.00 O ATOM 539 CB GLU A 35 89.040 -8.118 31.409 1.00 0.00 C ATOM 540 CG GLU A 35 90.078 -7.868 32.511 1.00 0.00 C ATOM 541 CD GLU A 35 90.009 -6.411 32.989 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.482 -5.588 32.259 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.489 -6.144 34.078 1.00 0.00 O ATOM 0 H GLU A 35 87.087 -8.821 30.038 1.00 0.00 H new ATOM 0 HA GLU A 35 87.689 -9.078 32.800 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.314 -9.002 30.833 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.024 -7.278 30.715 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.898 -8.541 33.349 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.077 -8.087 32.135 1.00 0.00 H new ATOM 550 N ILE A 36 86.746 -6.055 31.870 1.00 0.00 N ATOM 551 CA ILE A 36 86.320 -4.754 32.454 1.00 0.00 C ATOM 552 C ILE A 36 85.206 -5.022 33.466 1.00 0.00 C ATOM 553 O ILE A 36 85.188 -4.470 34.549 1.00 0.00 O ATOM 554 CB ILE A 36 85.837 -3.826 31.338 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.019 -3.505 30.415 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.301 -2.527 31.944 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.510 -2.813 29.151 1.00 0.00 C ATOM 0 H ILE A 36 86.637 -6.141 30.859 1.00 0.00 H new ATOM 0 HA ILE A 36 87.154 -4.267 32.960 1.00 0.00 H new ATOM 0 HB ILE A 36 85.042 -4.313 30.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.732 -2.863 30.931 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.547 -4.421 30.152 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.958 -1.868 31.147 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.469 -2.753 32.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.094 -2.034 32.506 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.352 -2.586 28.497 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.814 -3.471 28.631 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.001 -1.888 29.422 1.00 0.00 H new ATOM 569 N VAL A 37 84.303 -5.902 33.140 1.00 0.00 N ATOM 570 CA VAL A 37 83.216 -6.253 34.097 1.00 0.00 C ATOM 571 C VAL A 37 83.844 -6.987 35.286 1.00 0.00 C ATOM 572 O VAL A 37 83.471 -6.789 36.424 1.00 0.00 O ATOM 573 CB VAL A 37 82.193 -7.162 33.403 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.232 -7.752 34.442 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.395 -6.335 32.389 1.00 0.00 C ATOM 0 H VAL A 37 84.270 -6.396 32.248 1.00 0.00 H new ATOM 0 HA VAL A 37 82.707 -5.352 34.440 1.00 0.00 H new ATOM 0 HB VAL A 37 82.715 -7.973 32.895 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.508 -8.396 33.943 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.796 -8.335 35.170 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.708 -6.944 34.953 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.666 -6.974 31.892 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.877 -5.527 32.906 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.074 -5.914 31.648 1.00 0.00 H new ATOM 585 N ALA A 38 84.793 -7.841 35.015 1.00 0.00 N ATOM 586 CA ALA A 38 85.458 -8.609 36.104 1.00 0.00 C ATOM 587 C ALA A 38 86.095 -7.652 37.118 1.00 0.00 C ATOM 588 O ALA A 38 86.313 -8.006 38.260 1.00 0.00 O ATOM 589 CB ALA A 38 86.543 -9.503 35.501 1.00 0.00 C ATOM 0 H ALA A 38 85.139 -8.041 34.076 1.00 0.00 H new ATOM 0 HA ALA A 38 84.713 -9.219 36.614 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.032 -10.067 36.295 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.091 -10.195 34.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.280 -8.885 34.988 1.00 0.00 H new ATOM 595 N SER A 39 86.408 -6.445 36.716 1.00 0.00 N ATOM 596 CA SER A 39 87.043 -5.481 37.670 1.00 0.00 C ATOM 597 C SER A 39 85.967 -4.594 38.296 1.00 0.00 C ATOM 598 O SER A 39 86.086 -4.166 39.428 1.00 0.00 O ATOM 599 CB SER A 39 88.040 -4.602 36.914 1.00 0.00 C ATOM 600 OG SER A 39 88.987 -5.429 36.250 1.00 0.00 O ATOM 0 H SER A 39 86.253 -6.086 35.774 1.00 0.00 H new ATOM 0 HA SER A 39 87.559 -6.036 38.453 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.516 -3.977 36.191 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.548 -3.931 37.606 1.00 0.00 H new ATOM 0 HG SER A 39 89.106 -5.116 35.329 1.00 0.00 H new ATOM 606 N CYS A 40 84.912 -4.324 37.581 1.00 0.00 N ATOM 607 CA CYS A 40 83.832 -3.476 38.155 1.00 0.00 C ATOM 608 C CYS A 40 83.292 -4.160 39.412 1.00 0.00 C ATOM 609 O CYS A 40 82.965 -5.327 39.393 1.00 0.00 O ATOM 610 CB CYS A 40 82.708 -3.313 37.132 1.00 0.00 C ATOM 611 SG CYS A 40 81.266 -2.575 37.936 1.00 0.00 S ATOM 0 H CYS A 40 84.751 -4.652 36.629 1.00 0.00 H new ATOM 0 HA CYS A 40 84.224 -2.491 38.407 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.041 -2.683 36.307 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.445 -4.282 36.707 1.00 0.00 H new ATOM 616 N ASP A 41 83.207 -3.454 40.502 1.00 0.00 N ATOM 617 CA ASP A 41 82.702 -4.079 41.758 1.00 0.00 C ATOM 618 C ASP A 41 81.185 -4.277 41.702 1.00 0.00 C ATOM 619 O ASP A 41 80.668 -5.269 42.177 1.00 0.00 O ATOM 620 CB ASP A 41 83.057 -3.188 42.950 1.00 0.00 C ATOM 621 CG ASP A 41 84.570 -3.233 43.184 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.181 -4.216 42.797 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.089 -2.287 43.750 1.00 0.00 O ATOM 0 H ASP A 41 83.465 -2.470 40.580 1.00 0.00 H new ATOM 0 HA ASP A 41 83.173 -5.056 41.870 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.737 -2.163 42.761 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.529 -3.527 43.842 1.00 0.00 H new ATOM 628 N LYS A 42 80.461 -3.340 41.153 1.00 0.00 N ATOM 629 CA LYS A 42 78.975 -3.489 41.109 1.00 0.00 C ATOM 630 C LYS A 42 78.569 -4.597 40.128 1.00 0.00 C ATOM 631 O LYS A 42 77.662 -5.360 40.394 1.00 0.00 O ATOM 632 CB LYS A 42 78.334 -2.165 40.679 1.00 0.00 C ATOM 633 CG LYS A 42 78.491 -1.136 41.801 1.00 0.00 C ATOM 634 CD LYS A 42 77.853 0.189 41.379 1.00 0.00 C ATOM 635 CE LYS A 42 78.013 1.211 42.506 1.00 0.00 C ATOM 636 NZ LYS A 42 77.168 0.812 43.669 1.00 0.00 N ATOM 0 H LYS A 42 80.828 -2.485 40.736 1.00 0.00 H new ATOM 0 HA LYS A 42 78.626 -3.759 42.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.805 -1.799 39.767 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.278 -2.316 40.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.020 -1.503 42.713 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.547 -0.987 42.026 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.324 0.559 40.468 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.797 0.041 41.154 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.058 1.273 42.808 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.723 2.202 42.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.047 1.626 44.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.237 0.496 43.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.630 0.036 44.184 1.00 0.00 H new ATOM 650 N CYS A 43 79.220 -4.699 38.997 1.00 0.00 N ATOM 651 CA CYS A 43 78.846 -5.767 38.017 1.00 0.00 C ATOM 652 C CYS A 43 79.553 -7.081 38.374 1.00 0.00 C ATOM 653 O CYS A 43 79.472 -8.053 37.649 1.00 0.00 O ATOM 654 CB CYS A 43 79.230 -5.340 36.601 1.00 0.00 C ATOM 655 SG CYS A 43 78.317 -3.840 36.156 1.00 0.00 S ATOM 0 H CYS A 43 79.989 -4.094 38.710 1.00 0.00 H new ATOM 0 HA CYS A 43 77.768 -5.920 38.061 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.303 -5.157 36.543 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.005 -6.139 35.895 1.00 0.00 H new ATOM 660 N GLN A 44 80.244 -7.122 39.480 1.00 0.00 N ATOM 661 CA GLN A 44 80.949 -8.378 39.871 1.00 0.00 C ATOM 662 C GLN A 44 79.934 -9.365 40.443 1.00 0.00 C ATOM 663 O GLN A 44 79.627 -10.376 39.844 1.00 0.00 O ATOM 664 CB GLN A 44 82.006 -8.059 40.937 1.00 0.00 C ATOM 665 CG GLN A 44 82.833 -9.310 41.261 1.00 0.00 C ATOM 666 CD GLN A 44 83.727 -9.668 40.069 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.226 -8.717 39.326 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 83.980 -10.829 39.814 1.00 0.00 N flip ATOM 0 H GLN A 44 80.352 -6.343 40.129 1.00 0.00 H new ATOM 0 HA GLN A 44 81.434 -8.814 38.998 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.661 -7.264 40.582 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.521 -7.692 41.841 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.445 -9.133 42.145 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.171 -10.144 41.493 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.592 -11.574 40.392 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.580 -11.058 39.022 1.00 0.00 H new ATOM 677 N LEU A 45 79.417 -9.081 41.603 1.00 0.00 N ATOM 678 CA LEU A 45 78.425 -9.999 42.231 1.00 0.00 C ATOM 679 C LEU A 45 77.018 -9.671 41.721 1.00 0.00 C ATOM 680 O LEU A 45 76.588 -8.535 41.752 1.00 0.00 O ATOM 681 CB LEU A 45 78.472 -9.805 43.747 1.00 0.00 C ATOM 682 CG LEU A 45 79.916 -9.956 44.239 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.965 -9.721 45.752 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.431 -11.371 43.920 1.00 0.00 C ATOM 0 H LEU A 45 79.639 -8.248 42.148 1.00 0.00 H new ATOM 0 HA LEU A 45 78.664 -11.031 41.975 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.089 -8.819 44.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.831 -10.538 44.238 1.00 0.00 H new ATOM 0 HG LEU A 45 80.547 -9.224 43.735 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.991 -9.828 46.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.608 -8.716 45.976 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.331 -10.452 46.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.458 -11.472 44.272 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.802 -12.108 44.419 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.399 -11.536 42.843 1.00 0.00 H new ATOM 696 N LYS A 46 76.291 -10.656 41.267 1.00 0.00 N ATOM 697 CA LYS A 46 74.911 -10.386 40.775 1.00 0.00 C ATOM 698 C LYS A 46 74.013 -10.108 41.978 1.00 0.00 C ATOM 699 O LYS A 46 72.974 -9.490 41.866 1.00 0.00 O ATOM 700 CB LYS A 46 74.367 -11.606 40.028 1.00 0.00 C ATOM 701 CG LYS A 46 75.141 -11.812 38.725 1.00 0.00 C ATOM 702 CD LYS A 46 74.581 -13.040 37.995 1.00 0.00 C ATOM 703 CE LYS A 46 75.342 -13.269 36.679 1.00 0.00 C ATOM 704 NZ LYS A 46 76.759 -12.832 36.829 1.00 0.00 N ATOM 0 H LYS A 46 76.591 -11.630 41.216 1.00 0.00 H new ATOM 0 HA LYS A 46 74.930 -9.531 40.099 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.452 -12.494 40.655 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.307 -11.468 39.813 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.055 -10.928 38.093 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.201 -11.951 38.936 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.667 -13.921 38.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.520 -12.898 37.790 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.305 -14.324 36.406 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.865 -12.714 35.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.318 -13.186 36.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 76.802 -11.793 36.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 77.147 -13.212 37.716 1.00 0.00 H new ATOM 718 N GLY A 47 74.410 -10.572 43.134 1.00 0.00 N ATOM 719 CA GLY A 47 73.586 -10.353 44.360 1.00 0.00 C ATOM 720 C GLY A 47 72.617 -11.521 44.522 1.00 0.00 C ATOM 721 O GLY A 47 71.924 -11.637 45.513 1.00 0.00 O ATOM 0 H GLY A 47 75.273 -11.095 43.282 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.229 -10.273 45.236 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.036 -9.415 44.281 1.00 0.00 H new ATOM 725 N GLU A 48 72.575 -12.397 43.556 1.00 0.00 N ATOM 726 CA GLU A 48 71.668 -13.574 43.647 1.00 0.00 C ATOM 727 C GLU A 48 72.374 -14.665 44.454 1.00 0.00 C ATOM 728 O GLU A 48 71.811 -15.696 44.760 1.00 0.00 O ATOM 729 CB GLU A 48 71.355 -14.082 42.236 1.00 0.00 C ATOM 730 CG GLU A 48 70.247 -15.135 42.297 1.00 0.00 C ATOM 731 CD GLU A 48 69.775 -15.456 40.878 1.00 0.00 C ATOM 732 OE1 GLU A 48 70.253 -14.814 39.958 1.00 0.00 O ATOM 733 OE2 GLU A 48 68.943 -16.336 40.736 1.00 0.00 O ATOM 0 H GLU A 48 73.133 -12.347 42.704 1.00 0.00 H new ATOM 0 HA GLU A 48 70.734 -13.300 44.137 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.045 -13.252 41.601 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.251 -14.510 41.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.615 -16.039 42.783 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.413 -14.768 42.895 1.00 0.00 H new ATOM 740 N ALA A 49 73.613 -14.433 44.799 1.00 0.00 N ATOM 741 CA ALA A 49 74.381 -15.439 45.588 1.00 0.00 C ATOM 742 C ALA A 49 73.846 -15.487 47.021 1.00 0.00 C ATOM 743 O ALA A 49 73.561 -14.470 47.620 1.00 0.00 O ATOM 744 CB ALA A 49 75.856 -15.032 45.613 1.00 0.00 C ATOM 0 H ALA A 49 74.129 -13.584 44.566 1.00 0.00 H new ATOM 0 HA ALA A 49 74.274 -16.422 45.130 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.425 -15.762 46.188 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.240 -14.994 44.594 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.955 -14.050 46.075 1.00 0.00 H new ATOM 750 N MET A 50 73.716 -16.662 47.579 1.00 0.00 N ATOM 751 CA MET A 50 73.206 -16.775 48.978 1.00 0.00 C ATOM 752 C MET A 50 73.706 -18.087 49.590 1.00 0.00 C ATOM 753 O MET A 50 73.230 -19.155 49.266 1.00 0.00 O ATOM 754 CB MET A 50 71.673 -16.780 48.979 1.00 0.00 C ATOM 755 CG MET A 50 71.145 -15.396 48.590 1.00 0.00 C ATOM 756 SD MET A 50 69.362 -15.325 48.894 1.00 0.00 S ATOM 757 CE MET A 50 69.081 -13.683 48.185 1.00 0.00 C ATOM 0 H MET A 50 73.941 -17.548 47.127 1.00 0.00 H new ATOM 0 HA MET A 50 73.566 -15.926 49.559 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.303 -17.529 48.279 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.303 -17.055 49.966 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.654 -14.625 49.168 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.354 -15.197 47.539 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.024 -13.428 48.266 1.00 0.00 H new ATOM 0 HE2 MET A 50 69.675 -12.947 48.726 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.374 -13.685 47.135 1.00 0.00 H new ATOM 767 N HIS A 51 74.669 -18.014 50.473 1.00 0.00 N ATOM 768 CA HIS A 51 75.207 -19.257 51.103 1.00 0.00 C ATOM 769 C HIS A 51 74.404 -19.594 52.363 1.00 0.00 C ATOM 770 O HIS A 51 74.620 -20.612 52.991 1.00 0.00 O ATOM 771 CB HIS A 51 76.673 -19.039 51.477 1.00 0.00 C ATOM 772 CG HIS A 51 77.278 -20.348 51.902 1.00 0.00 C ATOM 773 ND1 HIS A 51 77.269 -21.467 51.080 1.00 0.00 N ATOM 774 CD2 HIS A 51 77.911 -20.736 53.057 1.00 0.00 C ATOM 775 CE1 HIS A 51 77.880 -22.465 51.746 1.00 0.00 C ATOM 776 NE2 HIS A 51 78.289 -22.070 52.953 1.00 0.00 N ATOM 0 H HIS A 51 75.106 -17.147 50.785 1.00 0.00 H new ATOM 0 HA HIS A 51 75.125 -20.083 50.396 1.00 0.00 H new ATOM 0 HB2 HIS A 51 77.220 -18.631 50.627 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.750 -18.311 52.284 1.00 0.00 H new ATOM 0 HD2 HIS A 51 78.088 -20.103 53.914 1.00 0.00 H new ATOM 0 HE1 HIS A 51 78.021 -23.461 51.352 1.00 0.00 H new ATOM 0 HE2 HIS A 51 78.777 -22.629 53.653 1.00 0.00 H new ATOM 785 N GLY A 52 73.480 -18.755 52.742 1.00 0.00 N ATOM 786 CA GLY A 52 72.676 -19.042 53.964 1.00 0.00 C ATOM 787 C GLY A 52 72.121 -20.466 53.885 1.00 0.00 C ATOM 788 O GLY A 52 71.138 -20.721 53.217 1.00 0.00 O ATOM 0 H GLY A 52 73.247 -17.886 52.261 1.00 0.00 H new ATOM 0 HA2 GLY A 52 73.295 -18.930 54.854 1.00 0.00 H new ATOM 0 HA3 GLY A 52 71.859 -18.326 54.052 1.00 0.00 H new ATOM 792 N GLN A 53 72.743 -21.398 54.560 1.00 0.00 N ATOM 793 CA GLN A 53 72.254 -22.811 54.523 1.00 0.00 C ATOM 794 C GLN A 53 72.648 -23.511 55.825 1.00 0.00 C ATOM 795 O GLN A 53 71.834 -23.703 56.707 1.00 0.00 O ATOM 796 CB GLN A 53 72.891 -23.566 53.345 1.00 0.00 C ATOM 797 CG GLN A 53 72.381 -23.004 52.012 1.00 0.00 C ATOM 798 CD GLN A 53 72.998 -23.795 50.858 1.00 0.00 C ATOM 799 OE1 GLN A 53 74.184 -24.060 50.852 1.00 0.00 O ATOM 800 NE2 GLN A 53 72.238 -24.183 49.870 1.00 0.00 N ATOM 0 H GLN A 53 73.570 -21.242 55.136 1.00 0.00 H new ATOM 0 HA GLN A 53 71.171 -22.807 54.404 1.00 0.00 H new ATOM 0 HB2 GLN A 53 73.976 -23.478 53.393 1.00 0.00 H new ATOM 0 HB3 GLN A 53 72.654 -24.628 53.414 1.00 0.00 H new ATOM 0 HG2 GLN A 53 71.294 -23.067 51.970 1.00 0.00 H new ATOM 0 HG3 GLN A 53 72.643 -21.949 51.925 1.00 0.00 H new ATOM 0 HE21 GLN A 53 71.243 -23.961 49.875 1.00 0.00 H new ATOM 0 HE22 GLN A 53 72.640 -24.708 49.093 1.00 0.00 H new ATOM 809 N VAL A 54 73.895 -23.888 55.958 1.00 0.00 N ATOM 810 CA VAL A 54 74.349 -24.570 57.212 1.00 0.00 C ATOM 811 C VAL A 54 74.991 -23.539 58.142 1.00 0.00 C ATOM 812 O VAL A 54 75.744 -22.687 57.716 1.00 0.00 O ATOM 813 CB VAL A 54 75.378 -25.655 56.875 1.00 0.00 C ATOM 814 CG1 VAL A 54 74.672 -26.859 56.251 1.00 0.00 C ATOM 815 CG2 VAL A 54 76.407 -25.100 55.886 1.00 0.00 C ATOM 0 H VAL A 54 74.620 -23.754 55.253 1.00 0.00 H new ATOM 0 HA VAL A 54 73.490 -25.029 57.701 1.00 0.00 H new ATOM 0 HB VAL A 54 75.884 -25.965 57.790 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.407 -27.628 56.013 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.943 -27.259 56.956 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.162 -26.549 55.339 1.00 0.00 H new ATOM 0 HG21 VAL A 54 77.137 -25.874 55.648 1.00 0.00 H new ATOM 0 HG22 VAL A 54 75.901 -24.785 54.973 1.00 0.00 H new ATOM 0 HG23 VAL A 54 76.916 -24.245 56.332 1.00 0.00 H new ATOM 825 N ASP A 55 74.702 -23.612 59.412 1.00 0.00 N ATOM 826 CA ASP A 55 75.299 -22.641 60.374 1.00 0.00 C ATOM 827 C ASP A 55 76.635 -23.185 60.882 1.00 0.00 C ATOM 828 O ASP A 55 77.460 -22.385 61.295 1.00 0.00 O ATOM 829 CB ASP A 55 74.346 -22.446 61.556 1.00 0.00 C ATOM 830 CG ASP A 55 73.130 -21.634 61.106 1.00 0.00 C ATOM 831 OD1 ASP A 55 73.237 -20.951 60.100 1.00 0.00 O ATOM 832 OD2 ASP A 55 72.114 -21.705 61.777 1.00 0.00 O ATOM 833 OXT ASP A 55 76.813 -24.391 60.848 1.00 0.00 O ATOM 0 H ASP A 55 74.077 -24.303 59.827 1.00 0.00 H new ATOM 0 HA ASP A 55 75.461 -21.686 59.875 1.00 0.00 H new ATOM 0 HB2 ASP A 55 74.027 -23.414 61.942 1.00 0.00 H new ATOM 0 HB3 ASP A 55 74.859 -21.932 62.369 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.264 -11.778 23.652 1.00 0.00 N ATOM 840 CA PHE B 1 95.335 -12.766 23.032 1.00 0.00 C ATOM 841 C PHE B 1 96.141 -13.956 22.521 1.00 0.00 C ATOM 842 O PHE B 1 96.226 -14.205 21.334 1.00 0.00 O ATOM 843 CB PHE B 1 94.606 -12.115 21.865 1.00 0.00 C ATOM 844 CG PHE B 1 94.088 -10.756 22.282 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.958 -10.655 23.105 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.739 -9.594 21.844 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.482 -9.393 23.489 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.261 -8.335 22.229 1.00 0.00 C ATOM 849 CZ PHE B 1 93.134 -8.236 23.051 1.00 0.00 C ATOM 0 H1 PHE B 1 95.967 -10.815 23.397 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.244 -11.884 24.686 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.230 -11.945 23.306 1.00 0.00 H new ATOM 0 HA PHE B 1 94.609 -13.101 23.773 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.280 -12.013 21.014 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.779 -12.747 21.542 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.454 -11.548 23.443 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.610 -9.670 21.209 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.611 -9.315 24.123 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.763 -7.440 21.891 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.767 -7.265 23.348 1.00 0.00 H new ATOM 861 N LEU B 2 96.745 -14.680 23.415 1.00 0.00 N ATOM 862 CA LEU B 2 97.572 -15.857 23.013 1.00 0.00 C ATOM 863 C LEU B 2 96.754 -17.138 23.076 1.00 0.00 C ATOM 864 O LEU B 2 95.946 -17.332 23.954 1.00 0.00 O ATOM 865 CB LEU B 2 98.771 -15.987 23.958 1.00 0.00 C ATOM 866 CG LEU B 2 99.649 -14.731 23.882 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.727 -14.807 24.968 1.00 0.00 C ATOM 868 CD2 LEU B 2 100.317 -14.629 22.499 1.00 0.00 C ATOM 0 H LEU B 2 96.704 -14.509 24.420 1.00 0.00 H new ATOM 0 HA LEU B 2 97.913 -15.704 21.989 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.422 -16.134 24.980 1.00 0.00 H new ATOM 0 HB3 LEU B 2 99.358 -16.866 23.692 1.00 0.00 H new ATOM 0 HG LEU B 2 99.027 -13.849 24.036 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.355 -13.917 24.920 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.253 -14.864 25.948 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.341 -15.694 24.810 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.937 -13.733 22.459 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.939 -15.508 22.329 1.00 0.00 H new ATOM 0 HD23 LEU B 2 99.549 -14.573 21.727 1.00 0.00 H new ATOM 880 N ASP B 3 96.980 -18.026 22.149 1.00 0.00 N ATOM 881 CA ASP B 3 96.238 -19.310 22.158 1.00 0.00 C ATOM 882 C ASP B 3 96.553 -20.018 23.473 1.00 0.00 C ATOM 883 O ASP B 3 95.691 -20.597 24.104 1.00 0.00 O ATOM 884 CB ASP B 3 96.694 -20.177 20.983 1.00 0.00 C ATOM 885 CG ASP B 3 95.914 -21.492 20.986 1.00 0.00 C ATOM 886 OD1 ASP B 3 95.213 -21.739 21.954 1.00 0.00 O ATOM 887 OD2 ASP B 3 96.033 -22.232 20.024 1.00 0.00 O ATOM 0 H ASP B 3 97.648 -17.915 21.386 1.00 0.00 H new ATOM 0 HA ASP B 3 95.166 -19.134 22.065 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.533 -19.649 20.043 1.00 0.00 H new ATOM 0 HB3 ASP B 3 97.763 -20.376 21.058 1.00 0.00 H new ATOM 892 N GLY B 4 97.790 -19.951 23.901 1.00 0.00 N ATOM 893 CA GLY B 4 98.185 -20.595 25.188 1.00 0.00 C ATOM 894 C GLY B 4 97.136 -20.273 26.254 1.00 0.00 C ATOM 895 O GLY B 4 97.033 -20.938 27.265 1.00 0.00 O ATOM 0 H GLY B 4 98.546 -19.474 23.409 1.00 0.00 H new ATOM 0 HA2 GLY B 4 98.269 -21.674 25.058 1.00 0.00 H new ATOM 0 HA3 GLY B 4 99.164 -20.235 25.503 1.00 0.00 H new ATOM 899 N ILE B 5 96.343 -19.264 26.018 1.00 0.00 N ATOM 900 CA ILE B 5 95.283 -18.903 26.994 1.00 0.00 C ATOM 901 C ILE B 5 94.335 -20.092 27.160 1.00 0.00 C ATOM 902 O ILE B 5 93.906 -20.410 28.250 1.00 0.00 O ATOM 903 CB ILE B 5 94.522 -17.675 26.474 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.426 -16.445 26.570 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.255 -17.447 27.304 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.799 -15.285 25.787 1.00 0.00 C ATOM 0 H ILE B 5 96.386 -18.674 25.187 1.00 0.00 H new ATOM 0 HA ILE B 5 95.722 -18.662 27.962 1.00 0.00 H new ATOM 0 HB ILE B 5 94.236 -17.844 25.436 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.562 -16.161 27.614 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.414 -16.675 26.171 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.724 -16.573 26.925 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.610 -18.323 27.232 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.528 -17.282 28.346 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.444 -14.409 25.856 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.686 -15.571 24.741 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.821 -15.049 26.206 1.00 0.00 H new ATOM 918 N ASP B 6 94.022 -20.762 26.086 1.00 0.00 N ATOM 919 CA ASP B 6 93.119 -21.940 26.187 1.00 0.00 C ATOM 920 C ASP B 6 93.769 -22.975 27.111 1.00 0.00 C ATOM 921 O ASP B 6 93.115 -23.604 27.918 1.00 0.00 O ATOM 922 CB ASP B 6 92.906 -22.547 24.799 1.00 0.00 C ATOM 923 CG ASP B 6 91.964 -23.748 24.907 1.00 0.00 C ATOM 924 OD1 ASP B 6 92.334 -24.711 25.559 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.887 -23.683 24.336 1.00 0.00 O ATOM 0 H ASP B 6 94.352 -20.545 25.146 1.00 0.00 H new ATOM 0 HA ASP B 6 92.153 -21.636 26.590 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.486 -21.801 24.125 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.861 -22.857 24.375 1.00 0.00 H new ATOM 930 N LYS B 7 95.059 -23.145 26.998 1.00 0.00 N ATOM 931 CA LYS B 7 95.767 -24.128 27.867 1.00 0.00 C ATOM 932 C LYS B 7 95.686 -23.654 29.319 1.00 0.00 C ATOM 933 O LYS B 7 95.520 -24.435 30.234 1.00 0.00 O ATOM 934 CB LYS B 7 97.241 -24.209 27.457 1.00 0.00 C ATOM 935 CG LYS B 7 97.365 -24.866 26.079 1.00 0.00 C ATOM 936 CD LYS B 7 98.835 -24.866 25.632 1.00 0.00 C ATOM 937 CE LYS B 7 99.683 -25.755 26.554 1.00 0.00 C ATOM 938 NZ LYS B 7 98.929 -26.993 26.904 1.00 0.00 N ATOM 0 H LYS B 7 95.654 -22.644 26.339 1.00 0.00 H new ATOM 0 HA LYS B 7 95.302 -25.108 27.761 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.676 -23.210 27.433 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.801 -24.783 28.195 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.987 -25.888 26.118 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.755 -24.328 25.353 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.908 -25.224 24.605 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.223 -23.848 25.643 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.619 -26.017 26.060 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.943 -25.209 27.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.585 -27.701 27.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.203 -26.768 27.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.472 -27.374 26.051 1.00 0.00 H new ATOM 952 N ALA B 8 95.812 -22.372 29.530 1.00 0.00 N ATOM 953 CA ALA B 8 95.758 -21.825 30.914 1.00 0.00 C ATOM 954 C ALA B 8 94.410 -22.164 31.561 1.00 0.00 C ATOM 955 O ALA B 8 94.336 -22.437 32.743 1.00 0.00 O ATOM 956 CB ALA B 8 95.931 -20.307 30.863 1.00 0.00 C ATOM 0 H ALA B 8 95.951 -21.676 28.797 1.00 0.00 H new ATOM 0 HA ALA B 8 96.558 -22.269 31.507 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.892 -19.902 31.874 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.894 -20.065 30.412 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.131 -19.869 30.266 1.00 0.00 H new ATOM 962 N GLN B 9 93.346 -22.144 30.805 1.00 0.00 N ATOM 963 CA GLN B 9 92.015 -22.465 31.399 1.00 0.00 C ATOM 964 C GLN B 9 92.046 -23.884 31.974 1.00 0.00 C ATOM 965 O GLN B 9 91.530 -24.145 33.042 1.00 0.00 O ATOM 966 CB GLN B 9 90.937 -22.384 30.314 1.00 0.00 C ATOM 967 CG GLN B 9 90.728 -20.925 29.902 1.00 0.00 C ATOM 968 CD GLN B 9 89.650 -20.851 28.819 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.659 -21.551 28.884 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.797 -20.021 27.823 1.00 0.00 N ATOM 0 H GLN B 9 93.339 -21.921 29.810 1.00 0.00 H new ATOM 0 HA GLN B 9 91.789 -21.751 32.191 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.233 -22.977 29.449 1.00 0.00 H new ATOM 0 HB3 GLN B 9 90.002 -22.805 30.684 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.432 -20.331 30.766 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.662 -20.503 29.530 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.629 -19.433 27.768 1.00 0.00 H new ATOM 0 HE22 GLN B 9 89.080 -19.960 27.100 1.00 0.00 H new ATOM 979 N GLU B 10 92.655 -24.799 31.274 1.00 0.00 N ATOM 980 CA GLU B 10 92.734 -26.200 31.774 1.00 0.00 C ATOM 981 C GLU B 10 93.493 -26.229 33.104 1.00 0.00 C ATOM 982 O GLU B 10 93.157 -26.965 34.010 1.00 0.00 O ATOM 983 CB GLU B 10 93.477 -27.062 30.752 1.00 0.00 C ATOM 984 CG GLU B 10 92.611 -27.237 29.503 1.00 0.00 C ATOM 985 CD GLU B 10 93.357 -28.099 28.481 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.529 -28.357 28.696 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.742 -28.484 27.500 1.00 0.00 O ATOM 0 H GLU B 10 93.104 -24.636 30.373 1.00 0.00 H new ATOM 0 HA GLU B 10 91.726 -26.589 31.921 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.425 -26.594 30.487 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.712 -28.035 31.184 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.663 -27.706 29.767 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.376 -26.264 29.071 1.00 0.00 H new ATOM 994 N GLU B 11 94.541 -25.453 33.208 1.00 0.00 N ATOM 995 CA GLU B 11 95.365 -25.445 34.457 1.00 0.00 C ATOM 996 C GLU B 11 94.924 -24.316 35.399 1.00 0.00 C ATOM 997 O GLU B 11 95.576 -24.042 36.387 1.00 0.00 O ATOM 998 CB GLU B 11 96.831 -25.236 34.074 1.00 0.00 C ATOM 999 CG GLU B 11 97.317 -26.440 33.263 1.00 0.00 C ATOM 1000 CD GLU B 11 98.765 -26.211 32.825 1.00 0.00 C ATOM 1001 OE1 GLU B 11 98.959 -25.647 31.762 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.655 -26.604 33.562 1.00 0.00 O ATOM 0 H GLU B 11 94.865 -24.820 32.477 1.00 0.00 H new ATOM 0 HA GLU B 11 95.233 -26.395 34.974 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.940 -24.322 33.491 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.440 -25.117 34.970 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.247 -27.348 33.862 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.681 -26.584 32.390 1.00 0.00 H new ATOM 1009 N CYS B 12 93.829 -23.664 35.119 1.00 0.00 N ATOM 1010 CA CYS B 12 93.372 -22.568 36.027 1.00 0.00 C ATOM 1011 C CYS B 12 93.371 -23.084 37.468 1.00 0.00 C ATOM 1012 O CYS B 12 93.769 -22.398 38.389 1.00 0.00 O ATOM 1013 CB CYS B 12 91.952 -22.138 35.646 1.00 0.00 C ATOM 1014 SG CYS B 12 91.416 -20.793 36.737 1.00 0.00 S ATOM 0 H CYS B 12 93.234 -23.839 34.309 1.00 0.00 H new ATOM 0 HA CYS B 12 94.044 -21.715 35.935 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.926 -21.810 34.607 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.269 -22.983 35.731 1.00 0.00 H new ATOM 1019 N GLU B 13 92.927 -24.294 37.663 1.00 0.00 N ATOM 1020 CA GLU B 13 92.894 -24.877 39.034 1.00 0.00 C ATOM 1021 C GLU B 13 94.318 -24.941 39.596 1.00 0.00 C ATOM 1022 O GLU B 13 94.540 -24.747 40.775 1.00 0.00 O ATOM 1023 CB GLU B 13 92.312 -26.290 38.971 1.00 0.00 C ATOM 1024 CG GLU B 13 90.825 -26.216 38.620 1.00 0.00 C ATOM 1025 CD GLU B 13 90.244 -27.630 38.557 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.014 -28.570 38.657 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.039 -27.747 38.404 1.00 0.00 O ATOM 0 H GLU B 13 92.583 -24.909 36.926 1.00 0.00 H new ATOM 0 HA GLU B 13 92.274 -24.254 39.679 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.843 -26.880 38.225 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.446 -26.792 39.929 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.293 -25.626 39.366 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.691 -25.713 37.662 1.00 0.00 H new ATOM 1034 N LYS B 14 95.279 -25.234 38.763 1.00 0.00 N ATOM 1035 CA LYS B 14 96.688 -25.340 39.244 1.00 0.00 C ATOM 1036 C LYS B 14 97.145 -24.009 39.852 1.00 0.00 C ATOM 1037 O LYS B 14 97.835 -23.986 40.853 1.00 0.00 O ATOM 1038 CB LYS B 14 97.599 -25.698 38.063 1.00 0.00 C ATOM 1039 CG LYS B 14 99.033 -25.912 38.563 1.00 0.00 C ATOM 1040 CD LYS B 14 99.954 -26.249 37.381 1.00 0.00 C ATOM 1041 CE LYS B 14 99.797 -27.721 36.976 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.928 -28.108 36.087 1.00 0.00 N ATOM 0 H LYS B 14 95.149 -25.405 37.766 1.00 0.00 H new ATOM 0 HA LYS B 14 96.745 -26.115 40.008 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.236 -26.601 37.572 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.578 -24.901 37.320 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.389 -25.014 39.068 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.056 -26.720 39.295 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.717 -25.606 36.533 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.991 -26.050 37.652 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.782 -28.355 37.863 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.847 -27.870 36.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.995 -29.145 36.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.764 -27.730 35.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.816 -27.720 36.466 1.00 0.00 H new ATOM 1056 N TYR B 15 96.784 -22.900 39.264 1.00 0.00 N ATOM 1057 CA TYR B 15 97.225 -21.586 39.825 1.00 0.00 C ATOM 1058 C TYR B 15 96.241 -21.131 40.905 1.00 0.00 C ATOM 1059 O TYR B 15 96.551 -20.283 41.717 1.00 0.00 O ATOM 1060 CB TYR B 15 97.273 -20.545 38.705 1.00 0.00 C ATOM 1061 CG TYR B 15 98.317 -20.954 37.694 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.652 -20.570 37.872 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.952 -21.726 36.585 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.622 -20.956 36.938 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.923 -22.113 35.652 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.257 -21.728 35.828 1.00 0.00 C ATOM 1067 OH TYR B 15 101.213 -22.111 34.909 1.00 0.00 O ATOM 0 H TYR B 15 96.207 -22.845 38.425 1.00 0.00 H new ATOM 0 HA TYR B 15 98.217 -21.694 40.264 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.297 -20.463 38.226 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.510 -19.563 39.114 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.934 -19.976 38.729 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.923 -22.023 36.449 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.651 -20.658 37.074 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.642 -22.709 34.796 1.00 0.00 H new ATOM 0 HH TYR B 15 101.988 -21.514 34.975 1.00 0.00 H new ATOM 1077 N HIS B 16 95.064 -21.693 40.922 1.00 0.00 N ATOM 1078 CA HIS B 16 94.057 -21.309 41.954 1.00 0.00 C ATOM 1079 C HIS B 16 93.796 -19.800 41.895 1.00 0.00 C ATOM 1080 O HIS B 16 93.475 -19.254 40.857 1.00 0.00 O ATOM 1081 CB HIS B 16 94.567 -21.689 43.350 1.00 0.00 C ATOM 1082 CG HIS B 16 94.901 -23.154 43.390 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.169 -23.633 43.085 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.151 -24.261 43.705 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.143 -24.972 43.223 1.00 0.00 C ATOM 1086 NE2 HIS B 16 94.938 -25.402 43.599 1.00 0.00 N ATOM 0 H HIS B 16 94.754 -22.406 40.262 1.00 0.00 H new ATOM 0 HA HIS B 16 93.127 -21.842 41.754 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.449 -21.099 43.598 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.809 -21.459 44.099 1.00 0.00 H new ATOM 0 HD1 HIS B 16 96.974 -23.072 42.807 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.110 -24.247 43.991 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.992 -25.617 43.051 1.00 0.00 H new ATOM 1095 N SER B 17 93.920 -19.125 43.009 1.00 0.00 N ATOM 1096 CA SER B 17 93.670 -17.654 43.040 1.00 0.00 C ATOM 1097 C SER B 17 94.939 -16.882 42.659 1.00 0.00 C ATOM 1098 O SER B 17 94.906 -15.682 42.477 1.00 0.00 O ATOM 1099 CB SER B 17 93.234 -17.252 44.450 1.00 0.00 C ATOM 1100 OG SER B 17 92.040 -17.947 44.789 1.00 0.00 O ATOM 0 H SER B 17 94.186 -19.534 43.905 1.00 0.00 H new ATOM 0 HA SER B 17 92.887 -17.412 42.321 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.021 -17.486 45.167 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.068 -16.176 44.499 1.00 0.00 H new ATOM 0 HG SER B 17 91.759 -17.693 45.693 1.00 0.00 H new ATOM 1106 N ASN B 18 96.058 -17.545 42.541 1.00 0.00 N ATOM 1107 CA ASN B 18 97.309 -16.815 42.178 1.00 0.00 C ATOM 1108 C ASN B 18 97.343 -16.566 40.668 1.00 0.00 C ATOM 1109 O ASN B 18 98.072 -17.210 39.941 1.00 0.00 O ATOM 1110 CB ASN B 18 98.532 -17.647 42.573 1.00 0.00 C ATOM 1111 CG ASN B 18 98.668 -17.680 44.095 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.135 -16.834 44.785 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.372 -18.629 44.652 1.00 0.00 N ATOM 0 H ASN B 18 96.161 -18.550 42.678 1.00 0.00 H new ATOM 0 HA ASN B 18 97.327 -15.863 42.709 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.433 -18.661 42.186 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.431 -17.222 42.128 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.474 -18.660 45.666 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.819 -19.339 44.073 1.00 0.00 H new ATOM 1120 N TRP B 19 96.567 -15.629 40.192 1.00 0.00 N ATOM 1121 CA TRP B 19 96.568 -15.336 38.731 1.00 0.00 C ATOM 1122 C TRP B 19 97.893 -14.676 38.343 1.00 0.00 C ATOM 1123 O TRP B 19 98.338 -14.765 37.216 1.00 0.00 O ATOM 1124 CB TRP B 19 95.404 -14.399 38.391 1.00 0.00 C ATOM 1125 CG TRP B 19 95.513 -13.129 39.177 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.940 -12.914 40.384 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.223 -11.898 38.837 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.247 -11.633 40.804 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.035 -10.968 39.887 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.001 -11.502 37.732 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.599 -9.693 39.844 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.571 -10.218 37.687 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.369 -9.316 38.742 1.00 0.00 C ATOM 0 H TRP B 19 95.935 -15.056 40.751 1.00 0.00 H new ATOM 0 HA TRP B 19 96.452 -16.267 38.175 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.407 -14.176 37.324 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.456 -14.891 38.611 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.340 -13.627 40.930 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.929 -11.229 41.685 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.161 -12.189 36.914 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.441 -9.001 40.658 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.167 -9.924 36.836 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.809 -8.330 38.702 1.00 0.00 H new ATOM 1144 N ARG B 20 98.518 -14.002 39.267 1.00 0.00 N ATOM 1145 CA ARG B 20 99.807 -13.319 38.961 1.00 0.00 C ATOM 1146 C ARG B 20 100.858 -14.338 38.511 1.00 0.00 C ATOM 1147 O ARG B 20 101.629 -14.088 37.606 1.00 0.00 O ATOM 1148 CB ARG B 20 100.297 -12.605 40.218 1.00 0.00 C ATOM 1149 CG ARG B 20 99.381 -11.416 40.507 1.00 0.00 C ATOM 1150 CD ARG B 20 99.857 -10.687 41.764 1.00 0.00 C ATOM 1151 NE ARG B 20 98.907 -9.584 42.080 1.00 0.00 N ATOM 1152 CZ ARG B 20 98.937 -9.015 43.252 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.826 -9.387 44.132 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.081 -8.072 43.544 1.00 0.00 N ATOM 0 H ARG B 20 98.190 -13.894 40.227 1.00 0.00 H new ATOM 0 HA ARG B 20 99.651 -12.601 38.156 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.299 -13.292 41.064 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.323 -12.264 40.081 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.379 -10.732 39.658 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.355 -11.760 40.642 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.917 -11.382 42.601 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.859 -10.287 41.609 1.00 0.00 H new ATOM 0 HE ARG B 20 98.233 -9.274 41.379 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.495 -10.122 43.902 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.852 -8.943 45.050 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.388 -7.781 42.854 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.105 -7.627 44.462 1.00 0.00 H new ATOM 1168 N ALA B 21 100.902 -15.482 39.136 1.00 0.00 N ATOM 1169 CA ALA B 21 101.912 -16.507 38.740 1.00 0.00 C ATOM 1170 C ALA B 21 101.599 -17.007 37.328 1.00 0.00 C ATOM 1171 O ALA B 21 102.481 -17.201 36.515 1.00 0.00 O ATOM 1172 CB ALA B 21 101.862 -17.678 39.726 1.00 0.00 C ATOM 0 H ALA B 21 100.285 -15.752 39.902 1.00 0.00 H new ATOM 0 HA ALA B 21 102.909 -16.066 38.755 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.599 -18.428 39.438 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.084 -17.318 40.730 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.867 -18.123 39.712 1.00 0.00 H new ATOM 1178 N MET B 22 100.346 -17.212 37.034 1.00 0.00 N ATOM 1179 CA MET B 22 99.958 -17.694 35.678 1.00 0.00 C ATOM 1180 C MET B 22 100.376 -16.662 34.627 1.00 0.00 C ATOM 1181 O MET B 22 100.887 -17.001 33.578 1.00 0.00 O ATOM 1182 CB MET B 22 98.441 -17.885 35.642 1.00 0.00 C ATOM 1183 CG MET B 22 98.009 -18.392 34.264 1.00 0.00 C ATOM 1184 SD MET B 22 96.254 -18.843 34.316 1.00 0.00 S ATOM 1185 CE MET B 22 95.605 -17.219 34.779 1.00 0.00 C ATOM 0 H MET B 22 99.569 -17.066 37.678 1.00 0.00 H new ATOM 0 HA MET B 22 100.455 -18.640 35.461 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.137 -18.595 36.411 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.942 -16.942 35.864 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.176 -17.622 33.511 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.610 -19.255 33.976 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.565 -17.139 34.463 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.667 -17.097 35.860 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.192 -16.440 34.292 1.00 0.00 H new ATOM 1195 N ALA B 23 100.167 -15.404 34.901 1.00 0.00 N ATOM 1196 CA ALA B 23 100.555 -14.354 33.917 1.00 0.00 C ATOM 1197 C ALA B 23 102.047 -14.484 33.603 1.00 0.00 C ATOM 1198 O ALA B 23 102.472 -14.339 32.475 1.00 0.00 O ATOM 1199 CB ALA B 23 100.276 -12.972 34.512 1.00 0.00 C ATOM 0 H ALA B 23 99.745 -15.058 35.763 1.00 0.00 H new ATOM 0 HA ALA B 23 99.977 -14.477 33.001 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.559 -12.203 33.794 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.214 -12.882 34.740 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.856 -12.846 35.426 1.00 0.00 H new ATOM 1205 N SER B 24 102.842 -14.756 34.600 1.00 0.00 N ATOM 1206 CA SER B 24 104.308 -14.897 34.376 1.00 0.00 C ATOM 1207 C SER B 24 104.584 -16.145 33.536 1.00 0.00 C ATOM 1208 O SER B 24 105.482 -16.168 32.718 1.00 0.00 O ATOM 1209 CB SER B 24 105.017 -15.026 35.724 1.00 0.00 C ATOM 1210 OG SER B 24 106.412 -15.187 35.508 1.00 0.00 O ATOM 0 H SER B 24 102.538 -14.887 35.565 1.00 0.00 H new ATOM 0 HA SER B 24 104.679 -14.018 33.849 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.831 -14.140 36.332 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.622 -15.879 36.275 1.00 0.00 H new ATOM 0 HG SER B 24 106.869 -15.268 36.371 1.00 0.00 H new ATOM 1216 N ASP B 25 103.828 -17.186 33.738 1.00 0.00 N ATOM 1217 CA ASP B 25 104.060 -18.436 32.959 1.00 0.00 C ATOM 1218 C ASP B 25 103.663 -18.215 31.503 1.00 0.00 C ATOM 1219 O ASP B 25 104.352 -18.623 30.590 1.00 0.00 O ATOM 1220 CB ASP B 25 103.199 -19.555 33.541 1.00 0.00 C ATOM 1221 CG ASP B 25 103.641 -20.898 32.957 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.273 -20.888 31.912 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.337 -21.914 33.560 1.00 0.00 O ATOM 0 H ASP B 25 103.060 -17.227 34.408 1.00 0.00 H new ATOM 0 HA ASP B 25 105.115 -18.706 33.014 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.291 -19.571 34.627 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.148 -19.376 33.313 1.00 0.00 H new ATOM 1228 N PHE B 26 102.551 -17.570 31.278 1.00 0.00 N ATOM 1229 CA PHE B 26 102.098 -17.318 29.875 1.00 0.00 C ATOM 1230 C PHE B 26 102.559 -15.927 29.426 1.00 0.00 C ATOM 1231 O PHE B 26 102.321 -15.516 28.308 1.00 0.00 O ATOM 1232 CB PHE B 26 100.572 -17.405 29.806 1.00 0.00 C ATOM 1233 CG PHE B 26 100.146 -18.838 30.027 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.032 -19.711 28.938 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.874 -19.296 31.322 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.645 -21.041 29.144 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.488 -20.627 31.527 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.374 -21.498 30.438 1.00 0.00 C ATOM 0 H PHE B 26 101.934 -17.205 32.004 1.00 0.00 H new ATOM 0 HA PHE B 26 102.531 -18.069 29.215 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.124 -16.759 30.561 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.219 -17.053 28.836 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.243 -19.359 27.939 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.962 -18.623 32.162 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.556 -21.714 28.304 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.278 -20.981 32.526 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.077 -22.524 30.597 1.00 0.00 H new ATOM 1248 N ASN B 27 103.232 -15.207 30.285 1.00 0.00 N ATOM 1249 CA ASN B 27 103.729 -13.850 29.909 1.00 0.00 C ATOM 1250 C ASN B 27 102.581 -12.990 29.374 1.00 0.00 C ATOM 1251 O ASN B 27 102.688 -12.384 28.326 1.00 0.00 O ATOM 1252 CB ASN B 27 104.811 -13.983 28.835 1.00 0.00 C ATOM 1253 CG ASN B 27 105.975 -14.805 29.390 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.456 -15.714 28.742 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.449 -14.523 30.571 1.00 0.00 N ATOM 0 H ASN B 27 103.460 -15.502 31.235 1.00 0.00 H new ATOM 0 HA ASN B 27 104.145 -13.369 30.794 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.401 -14.465 27.947 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.160 -12.997 28.530 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.224 -15.065 30.952 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.045 -13.760 31.114 1.00 0.00 H new ATOM 1262 N LEU B 28 101.486 -12.929 30.092 1.00 0.00 N ATOM 1263 CA LEU B 28 100.315 -12.106 29.646 1.00 0.00 C ATOM 1264 C LEU B 28 100.055 -10.994 30.674 1.00 0.00 C ATOM 1265 O LEU B 28 100.329 -11.160 31.846 1.00 0.00 O ATOM 1266 CB LEU B 28 99.079 -13.010 29.573 1.00 0.00 C ATOM 1267 CG LEU B 28 99.116 -13.856 28.285 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.216 -15.086 28.450 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.614 -13.026 27.087 1.00 0.00 C ATOM 0 H LEU B 28 101.351 -13.418 30.977 1.00 0.00 H new ATOM 0 HA LEU B 28 100.521 -11.666 28.671 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.044 -13.663 30.445 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.174 -12.403 29.593 1.00 0.00 H new ATOM 0 HG LEU B 28 100.144 -14.169 28.103 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.244 -15.682 27.538 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.571 -15.687 29.287 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.192 -14.765 28.642 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.645 -13.635 26.184 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.589 -12.703 27.272 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.252 -12.152 26.957 1.00 0.00 H new ATOM 1281 N PRO B 29 99.517 -9.873 30.250 1.00 0.00 N ATOM 1282 CA PRO B 29 99.212 -8.740 31.173 1.00 0.00 C ATOM 1283 C PRO B 29 97.997 -9.059 32.068 1.00 0.00 C ATOM 1284 O PRO B 29 97.125 -9.808 31.675 1.00 0.00 O ATOM 1285 CB PRO B 29 98.900 -7.578 30.219 1.00 0.00 C ATOM 1286 CG PRO B 29 98.371 -8.238 28.990 1.00 0.00 C ATOM 1287 CD PRO B 29 99.143 -9.553 28.859 1.00 0.00 C ATOM 0 HA PRO B 29 100.031 -8.523 31.859 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.167 -6.896 30.650 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.793 -6.991 30.002 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.300 -8.420 29.074 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.519 -7.608 28.113 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.528 -10.337 28.418 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.021 -9.441 28.223 1.00 0.00 H new ATOM 1295 N PRO B 30 97.930 -8.503 33.256 1.00 0.00 N ATOM 1296 CA PRO B 30 96.792 -8.751 34.189 1.00 0.00 C ATOM 1297 C PRO B 30 95.426 -8.768 33.488 1.00 0.00 C ATOM 1298 O PRO B 30 94.473 -9.337 33.984 1.00 0.00 O ATOM 1299 CB PRO B 30 96.873 -7.570 35.160 1.00 0.00 C ATOM 1300 CG PRO B 30 98.326 -7.223 35.222 1.00 0.00 C ATOM 1301 CD PRO B 30 98.920 -7.580 33.851 1.00 0.00 C ATOM 0 HA PRO B 30 96.870 -9.730 34.662 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.280 -6.726 34.807 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.489 -7.840 36.144 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.463 -6.164 35.440 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.824 -7.779 36.017 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.058 -6.692 33.234 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.896 -8.054 33.951 1.00 0.00 H new ATOM 1309 N VAL B 31 95.311 -8.128 32.357 1.00 0.00 N ATOM 1310 CA VAL B 31 93.995 -8.091 31.656 1.00 0.00 C ATOM 1311 C VAL B 31 93.522 -9.509 31.330 1.00 0.00 C ATOM 1312 O VAL B 31 92.441 -9.919 31.704 1.00 0.00 O ATOM 1313 CB VAL B 31 94.140 -7.299 30.347 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.902 -7.503 29.451 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.291 -5.812 30.677 1.00 0.00 C ATOM 0 H VAL B 31 96.068 -7.630 31.889 1.00 0.00 H new ATOM 0 HA VAL B 31 93.264 -7.613 32.308 1.00 0.00 H new ATOM 0 HB VAL B 31 95.020 -7.656 29.811 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.023 -6.935 28.529 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.795 -8.561 29.214 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.012 -7.157 29.976 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.394 -5.243 29.753 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.410 -5.468 31.218 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.177 -5.665 31.295 1.00 0.00 H new ATOM 1325 N VAL B 32 94.316 -10.247 30.616 1.00 0.00 N ATOM 1326 CA VAL B 32 93.913 -11.625 30.232 1.00 0.00 C ATOM 1327 C VAL B 32 93.910 -12.545 31.456 1.00 0.00 C ATOM 1328 O VAL B 32 93.048 -13.385 31.605 1.00 0.00 O ATOM 1329 CB VAL B 32 94.891 -12.151 29.183 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.643 -13.642 28.936 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.703 -11.369 27.877 1.00 0.00 C ATOM 0 H VAL B 32 95.233 -9.955 30.279 1.00 0.00 H new ATOM 0 HA VAL B 32 92.904 -11.605 29.820 1.00 0.00 H new ATOM 0 HB VAL B 32 95.911 -12.019 29.543 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.345 -14.008 28.187 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.784 -14.193 29.866 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.623 -13.787 28.580 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.400 -11.742 27.126 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.681 -11.498 27.520 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.894 -10.311 28.056 1.00 0.00 H new ATOM 1341 N ALA B 33 94.870 -12.410 32.328 1.00 0.00 N ATOM 1342 CA ALA B 33 94.906 -13.304 33.517 1.00 0.00 C ATOM 1343 C ALA B 33 93.626 -13.116 34.326 1.00 0.00 C ATOM 1344 O ALA B 33 92.949 -14.066 34.666 1.00 0.00 O ATOM 1345 CB ALA B 33 96.125 -12.958 34.373 1.00 0.00 C ATOM 0 H ALA B 33 95.624 -11.726 32.270 1.00 0.00 H new ATOM 0 HA ALA B 33 94.978 -14.344 33.199 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.154 -13.611 35.245 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.033 -13.096 33.786 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.058 -11.920 34.699 1.00 0.00 H new ATOM 1351 N LYS B 34 93.274 -11.901 34.618 1.00 0.00 N ATOM 1352 CA LYS B 34 92.023 -11.657 35.383 1.00 0.00 C ATOM 1353 C LYS B 34 90.824 -12.207 34.610 1.00 0.00 C ATOM 1354 O LYS B 34 89.911 -12.768 35.181 1.00 0.00 O ATOM 1355 CB LYS B 34 91.847 -10.156 35.621 1.00 0.00 C ATOM 1356 CG LYS B 34 92.899 -9.686 36.629 1.00 0.00 C ATOM 1357 CD LYS B 34 92.746 -8.186 36.885 1.00 0.00 C ATOM 1358 CE LYS B 34 93.804 -7.734 37.894 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.911 -6.250 37.874 1.00 0.00 N ATOM 0 H LYS B 34 93.797 -11.064 34.361 1.00 0.00 H new ATOM 0 HA LYS B 34 92.087 -12.166 36.345 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.954 -9.611 34.683 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.845 -9.949 35.998 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.790 -10.236 37.564 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.898 -9.898 36.249 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.857 -7.633 35.952 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.748 -7.971 37.266 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.537 -8.076 38.894 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.768 -8.181 37.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.630 -5.945 38.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.185 -5.934 36.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.993 -5.832 38.126 1.00 0.00 H new ATOM 1373 N GLU B 35 90.813 -12.040 33.319 1.00 0.00 N ATOM 1374 CA GLU B 35 89.662 -12.541 32.514 1.00 0.00 C ATOM 1375 C GLU B 35 89.526 -14.057 32.660 1.00 0.00 C ATOM 1376 O GLU B 35 88.432 -14.577 32.759 1.00 0.00 O ATOM 1377 CB GLU B 35 89.894 -12.212 31.039 1.00 0.00 C ATOM 1378 CG GLU B 35 88.638 -12.552 30.225 1.00 0.00 C ATOM 1379 CD GLU B 35 88.567 -14.063 29.964 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.594 -14.716 30.060 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.481 -14.543 29.676 1.00 0.00 O ATOM 0 H GLU B 35 91.549 -11.579 32.785 1.00 0.00 H new ATOM 0 HA GLU B 35 88.752 -12.061 32.873 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.136 -11.155 30.927 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.747 -12.776 30.661 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.748 -12.227 30.763 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.653 -12.012 29.278 1.00 0.00 H new ATOM 1388 N ILE B 36 90.612 -14.776 32.666 1.00 0.00 N ATOM 1389 CA ILE B 36 90.505 -16.255 32.795 1.00 0.00 C ATOM 1390 C ILE B 36 89.815 -16.572 34.123 1.00 0.00 C ATOM 1391 O ILE B 36 88.948 -17.421 34.198 1.00 0.00 O ATOM 1392 CB ILE B 36 91.904 -16.874 32.740 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.503 -16.616 31.352 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.810 -18.383 32.978 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.988 -16.980 31.356 1.00 0.00 C ATOM 0 H ILE B 36 91.560 -14.409 32.588 1.00 0.00 H new ATOM 0 HA ILE B 36 89.919 -16.674 31.977 1.00 0.00 H new ATOM 0 HB ILE B 36 92.534 -16.428 33.509 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.976 -17.206 30.602 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.376 -15.568 31.080 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.808 -18.820 32.938 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.371 -18.570 33.958 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.185 -18.835 32.208 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.410 -16.796 30.368 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.510 -16.370 32.094 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.104 -18.034 31.609 1.00 0.00 H new ATOM 1407 N VAL B 37 90.163 -15.864 35.159 1.00 0.00 N ATOM 1408 CA VAL B 37 89.498 -16.081 36.473 1.00 0.00 C ATOM 1409 C VAL B 37 88.040 -15.631 36.353 1.00 0.00 C ATOM 1410 O VAL B 37 87.136 -16.253 36.875 1.00 0.00 O ATOM 1411 CB VAL B 37 90.212 -15.257 37.552 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.376 -15.249 38.838 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.579 -15.886 37.839 1.00 0.00 C ATOM 0 H VAL B 37 90.883 -15.141 35.153 1.00 0.00 H new ATOM 0 HA VAL B 37 89.542 -17.134 36.751 1.00 0.00 H new ATOM 0 HB VAL B 37 90.340 -14.233 37.202 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.888 -14.662 39.601 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.400 -14.808 38.635 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.245 -16.271 39.193 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.093 -15.306 38.605 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.442 -16.909 38.189 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.176 -15.891 36.927 1.00 0.00 H new ATOM 1423 N ALA B 38 87.815 -14.543 35.667 1.00 0.00 N ATOM 1424 CA ALA B 38 86.429 -14.021 35.501 1.00 0.00 C ATOM 1425 C ALA B 38 85.541 -15.077 34.832 1.00 0.00 C ATOM 1426 O ALA B 38 84.334 -15.058 34.976 1.00 0.00 O ATOM 1427 CB ALA B 38 86.464 -12.763 34.628 1.00 0.00 C ATOM 0 H ALA B 38 88.539 -13.989 35.210 1.00 0.00 H new ATOM 0 HA ALA B 38 86.019 -13.782 36.482 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.452 -12.378 34.504 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.085 -12.005 35.106 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.881 -13.009 33.651 1.00 0.00 H new ATOM 1433 N SER B 39 86.118 -15.994 34.097 1.00 0.00 N ATOM 1434 CA SER B 39 85.287 -17.039 33.419 1.00 0.00 C ATOM 1435 C SER B 39 85.228 -18.296 34.288 1.00 0.00 C ATOM 1436 O SER B 39 84.249 -19.015 34.285 1.00 0.00 O ATOM 1437 CB SER B 39 85.917 -17.392 32.072 1.00 0.00 C ATOM 1438 OG SER B 39 86.065 -16.209 31.297 1.00 0.00 O ATOM 0 H SER B 39 87.123 -16.066 33.937 1.00 0.00 H new ATOM 0 HA SER B 39 84.279 -16.653 33.267 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.887 -17.864 32.224 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.292 -18.111 31.543 1.00 0.00 H new ATOM 0 HG SER B 39 86.947 -16.206 30.870 1.00 0.00 H new ATOM 1444 N CYS B 40 86.256 -18.562 35.044 1.00 0.00 N ATOM 1445 CA CYS B 40 86.234 -19.766 35.918 1.00 0.00 C ATOM 1446 C CYS B 40 85.057 -19.644 36.885 1.00 0.00 C ATOM 1447 O CYS B 40 84.886 -18.635 37.533 1.00 0.00 O ATOM 1448 CB CYS B 40 87.538 -19.853 36.708 1.00 0.00 C ATOM 1449 SG CYS B 40 87.376 -21.113 37.995 1.00 0.00 S ATOM 0 H CYS B 40 87.106 -18.001 35.094 1.00 0.00 H new ATOM 0 HA CYS B 40 86.128 -20.665 35.310 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.364 -20.102 36.042 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.770 -18.887 37.156 1.00 0.00 H new ATOM 1454 N ASP B 41 84.241 -20.654 36.979 1.00 0.00 N ATOM 1455 CA ASP B 41 83.067 -20.583 37.897 1.00 0.00 C ATOM 1456 C ASP B 41 83.502 -20.722 39.357 1.00 0.00 C ATOM 1457 O ASP B 41 82.970 -20.069 40.233 1.00 0.00 O ATOM 1458 CB ASP B 41 82.074 -21.695 37.545 1.00 0.00 C ATOM 1459 CG ASP B 41 81.416 -21.382 36.200 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.365 -20.216 35.846 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.969 -22.312 35.550 1.00 0.00 O ATOM 0 H ASP B 41 84.334 -21.527 36.460 1.00 0.00 H new ATOM 0 HA ASP B 41 82.591 -19.610 37.774 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.588 -22.655 37.496 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.315 -21.779 38.323 1.00 0.00 H new ATOM 1466 N LYS B 42 84.442 -21.581 39.640 1.00 0.00 N ATOM 1467 CA LYS B 42 84.868 -21.762 41.059 1.00 0.00 C ATOM 1468 C LYS B 42 85.626 -20.526 41.564 1.00 0.00 C ATOM 1469 O LYS B 42 85.451 -20.108 42.691 1.00 0.00 O ATOM 1470 CB LYS B 42 85.769 -22.996 41.175 1.00 0.00 C ATOM 1471 CG LYS B 42 84.931 -24.260 40.955 1.00 0.00 C ATOM 1472 CD LYS B 42 85.823 -25.498 41.069 1.00 0.00 C ATOM 1473 CE LYS B 42 84.981 -26.757 40.849 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.047 -26.939 41.997 1.00 0.00 N ATOM 0 H LYS B 42 84.931 -22.161 38.958 1.00 0.00 H new ATOM 0 HA LYS B 42 83.976 -21.898 41.671 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.571 -22.945 40.438 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.240 -23.025 42.158 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.129 -24.309 41.692 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.460 -24.229 39.973 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.625 -25.451 40.332 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.295 -25.530 42.051 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.419 -26.673 39.919 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.629 -27.628 40.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.676 -27.910 41.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.555 -26.767 42.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.258 -26.266 41.913 1.00 0.00 H new ATOM 1488 N CYS B 43 86.466 -19.936 40.754 1.00 0.00 N ATOM 1489 CA CYS B 43 87.223 -18.731 41.217 1.00 0.00 C ATOM 1490 C CYS B 43 86.374 -17.470 41.024 1.00 0.00 C ATOM 1491 O CYS B 43 86.832 -16.365 41.240 1.00 0.00 O ATOM 1492 CB CYS B 43 88.531 -18.600 40.439 1.00 0.00 C ATOM 1493 SG CYS B 43 89.567 -20.053 40.749 1.00 0.00 S ATOM 0 H CYS B 43 86.661 -20.233 39.798 1.00 0.00 H new ATOM 0 HA CYS B 43 87.451 -18.847 42.276 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.325 -18.508 39.373 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.057 -17.694 40.741 1.00 0.00 H new ATOM 1498 N GLN B 44 85.140 -17.620 40.619 1.00 0.00 N ATOM 1499 CA GLN B 44 84.273 -16.420 40.414 1.00 0.00 C ATOM 1500 C GLN B 44 83.790 -15.914 41.773 1.00 0.00 C ATOM 1501 O GLN B 44 84.188 -14.863 42.234 1.00 0.00 O ATOM 1502 CB GLN B 44 83.059 -16.805 39.556 1.00 0.00 C ATOM 1503 CG GLN B 44 82.213 -15.563 39.245 1.00 0.00 C ATOM 1504 CD GLN B 44 83.002 -14.611 38.343 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.775 -15.043 37.512 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.829 -13.323 38.468 1.00 0.00 N ATOM 0 H GLN B 44 84.696 -18.517 40.422 1.00 0.00 H new ATOM 0 HA GLN B 44 84.842 -15.639 39.909 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.393 -17.268 38.627 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.454 -17.544 40.081 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.285 -15.857 38.755 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.938 -15.058 40.171 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.180 -12.961 39.166 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.343 -12.679 37.867 1.00 0.00 H new ATOM 1515 N LEU B 45 82.928 -16.653 42.411 1.00 0.00 N ATOM 1516 CA LEU B 45 82.402 -16.223 43.739 1.00 0.00 C ATOM 1517 C LEU B 45 83.354 -16.684 44.846 1.00 0.00 C ATOM 1518 O LEU B 45 83.728 -17.838 44.913 1.00 0.00 O ATOM 1519 CB LEU B 45 81.029 -16.861 43.952 1.00 0.00 C ATOM 1520 CG LEU B 45 80.124 -16.545 42.755 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.765 -17.222 42.954 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.927 -15.025 42.635 1.00 0.00 C ATOM 0 H LEU B 45 82.562 -17.542 42.069 1.00 0.00 H new ATOM 0 HA LEU B 45 82.320 -15.137 43.769 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.132 -17.940 44.068 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.580 -16.483 44.870 1.00 0.00 H new ATOM 0 HG LEU B 45 80.590 -16.918 41.843 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.120 -16.999 42.104 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.904 -18.300 43.031 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.303 -16.849 43.868 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.283 -14.808 41.783 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.464 -14.645 43.546 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.894 -14.543 42.491 1.00 0.00 H new ATOM 1534 N LYS B 46 83.742 -15.798 45.725 1.00 0.00 N ATOM 1535 CA LYS B 46 84.658 -16.207 46.828 1.00 0.00 C ATOM 1536 C LYS B 46 83.863 -17.039 47.832 1.00 0.00 C ATOM 1537 O LYS B 46 84.412 -17.810 48.593 1.00 0.00 O ATOM 1538 CB LYS B 46 85.209 -14.969 47.544 1.00 0.00 C ATOM 1539 CG LYS B 46 86.149 -14.200 46.615 1.00 0.00 C ATOM 1540 CD LYS B 46 86.688 -12.966 47.349 1.00 0.00 C ATOM 1541 CE LYS B 46 87.637 -12.175 46.434 1.00 0.00 C ATOM 1542 NZ LYS B 46 87.199 -12.309 45.016 1.00 0.00 N ATOM 0 H LYS B 46 83.466 -14.816 45.727 1.00 0.00 H new ATOM 0 HA LYS B 46 85.488 -16.782 46.416 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.388 -14.325 47.857 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.742 -15.268 48.447 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.974 -14.840 46.302 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.619 -13.898 45.712 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.860 -12.330 47.663 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.215 -13.273 48.253 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.645 -11.124 46.724 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.656 -12.544 46.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 87.685 -11.597 44.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 87.435 -13.260 44.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 86.171 -12.163 44.955 1.00 0.00 H new ATOM 1556 N GLY B 47 82.566 -16.881 47.839 1.00 0.00 N ATOM 1557 CA GLY B 47 81.716 -17.648 48.796 1.00 0.00 C ATOM 1558 C GLY B 47 81.554 -16.836 50.079 1.00 0.00 C ATOM 1559 O GLY B 47 80.801 -17.192 50.963 1.00 0.00 O ATOM 0 H GLY B 47 82.056 -16.251 47.220 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.741 -17.851 48.354 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.174 -18.613 49.016 1.00 0.00 H new ATOM 1563 N GLU B 48 82.251 -15.737 50.180 1.00 0.00 N ATOM 1564 CA GLU B 48 82.137 -14.884 51.394 1.00 0.00 C ATOM 1565 C GLU B 48 80.923 -13.966 51.228 1.00 0.00 C ATOM 1566 O GLU B 48 80.546 -13.238 52.125 1.00 0.00 O ATOM 1567 CB GLU B 48 83.413 -14.049 51.545 1.00 0.00 C ATOM 1568 CG GLU B 48 83.417 -13.343 52.903 1.00 0.00 C ATOM 1569 CD GLU B 48 84.788 -12.709 53.141 1.00 0.00 C ATOM 1570 OE1 GLU B 48 85.662 -12.908 52.312 1.00 0.00 O ATOM 1571 OE2 GLU B 48 84.941 -12.036 54.147 1.00 0.00 O ATOM 0 H GLU B 48 82.897 -15.393 49.470 1.00 0.00 H new ATOM 0 HA GLU B 48 82.012 -15.500 52.284 1.00 0.00 H new ATOM 0 HB2 GLU B 48 84.290 -14.690 51.456 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.474 -13.313 50.743 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.641 -12.578 52.930 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.191 -14.055 53.696 1.00 0.00 H new ATOM 1578 N ALA B 49 80.309 -14.003 50.074 1.00 0.00 N ATOM 1579 CA ALA B 49 79.115 -13.146 49.818 1.00 0.00 C ATOM 1580 C ALA B 49 77.928 -13.666 50.629 1.00 0.00 C ATOM 1581 O ALA B 49 77.699 -14.856 50.716 1.00 0.00 O ATOM 1582 CB ALA B 49 78.769 -13.202 48.329 1.00 0.00 C ATOM 0 H ALA B 49 80.587 -14.596 49.292 1.00 0.00 H new ATOM 0 HA ALA B 49 79.333 -12.119 50.111 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.897 -12.578 48.134 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.614 -12.837 47.745 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.549 -14.231 48.045 1.00 0.00 H new ATOM 1588 N MET B 50 77.165 -12.785 51.220 1.00 0.00 N ATOM 1589 CA MET B 50 75.984 -13.230 52.019 1.00 0.00 C ATOM 1590 C MET B 50 74.953 -12.099 52.066 1.00 0.00 C ATOM 1591 O MET B 50 75.124 -11.122 52.768 1.00 0.00 O ATOM 1592 CB MET B 50 76.416 -13.573 53.449 1.00 0.00 C ATOM 1593 CG MET B 50 77.256 -14.851 53.446 1.00 0.00 C ATOM 1594 SD MET B 50 77.503 -15.410 55.149 1.00 0.00 S ATOM 1595 CE MET B 50 78.635 -16.769 54.774 1.00 0.00 C ATOM 0 H MET B 50 77.308 -11.776 51.184 1.00 0.00 H new ATOM 0 HA MET B 50 75.550 -14.114 51.553 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.992 -12.750 53.872 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.538 -13.706 54.082 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.756 -15.627 52.866 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.218 -14.666 52.969 1.00 0.00 H new ATOM 0 HE1 MET B 50 78.925 -17.267 55.699 1.00 0.00 H new ATOM 0 HE2 MET B 50 78.140 -17.484 54.117 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.524 -16.376 54.280 1.00 0.00 H new ATOM 1605 N HIS B 51 73.884 -12.221 51.325 1.00 0.00 N ATOM 1606 CA HIS B 51 72.842 -11.152 51.327 1.00 0.00 C ATOM 1607 C HIS B 51 71.820 -11.410 52.439 1.00 0.00 C ATOM 1608 O HIS B 51 70.930 -10.616 52.669 1.00 0.00 O ATOM 1609 CB HIS B 51 72.129 -11.139 49.976 1.00 0.00 C ATOM 1610 CG HIS B 51 71.251 -9.923 49.887 1.00 0.00 C ATOM 1611 ND1 HIS B 51 71.747 -8.637 50.057 1.00 0.00 N ATOM 1612 CD2 HIS B 51 69.907 -9.780 49.650 1.00 0.00 C ATOM 1613 CE1 HIS B 51 70.713 -7.784 49.922 1.00 0.00 C ATOM 1614 NE2 HIS B 51 69.573 -8.431 49.673 1.00 0.00 N ATOM 0 H HIS B 51 73.687 -13.016 50.717 1.00 0.00 H new ATOM 0 HA HIS B 51 73.321 -10.189 51.503 1.00 0.00 H new ATOM 0 HB2 HIS B 51 72.859 -11.134 49.167 1.00 0.00 H new ATOM 0 HB3 HIS B 51 71.531 -12.043 49.859 1.00 0.00 H new ATOM 0 HD2 HIS B 51 69.216 -10.590 49.473 1.00 0.00 H new ATOM 0 HE1 HIS B 51 70.796 -6.710 50.005 1.00 0.00 H new ATOM 0 HE2 HIS B 51 68.650 -8.021 49.530 1.00 0.00 H new ATOM 1623 N GLY B 52 71.933 -12.512 53.129 1.00 0.00 N ATOM 1624 CA GLY B 52 70.959 -12.807 54.218 1.00 0.00 C ATOM 1625 C GLY B 52 70.845 -11.593 55.140 1.00 0.00 C ATOM 1626 O GLY B 52 71.684 -11.368 55.990 1.00 0.00 O ATOM 0 H GLY B 52 72.655 -13.218 52.987 1.00 0.00 H new ATOM 0 HA2 GLY B 52 69.984 -13.048 53.794 1.00 0.00 H new ATOM 0 HA3 GLY B 52 71.284 -13.679 54.785 1.00 0.00 H new ATOM 1630 N GLN B 53 69.814 -10.802 54.979 1.00 0.00 N ATOM 1631 CA GLN B 53 69.648 -9.593 55.846 1.00 0.00 C ATOM 1632 C GLN B 53 68.158 -9.261 55.960 1.00 0.00 C ATOM 1633 O GLN B 53 67.527 -9.536 56.961 1.00 0.00 O ATOM 1634 CB GLN B 53 70.376 -8.390 55.231 1.00 0.00 C ATOM 1635 CG GLN B 53 71.892 -8.609 55.264 1.00 0.00 C ATOM 1636 CD GLN B 53 72.594 -7.382 54.684 1.00 0.00 C ATOM 1637 OE1 GLN B 53 72.196 -6.867 53.659 1.00 0.00 O ATOM 1638 NE2 GLN B 53 73.632 -6.888 55.302 1.00 0.00 N ATOM 0 H GLN B 53 69.079 -10.940 54.285 1.00 0.00 H new ATOM 0 HA GLN B 53 70.069 -9.803 56.829 1.00 0.00 H new ATOM 0 HB2 GLN B 53 70.046 -8.244 54.203 1.00 0.00 H new ATOM 0 HB3 GLN B 53 70.121 -7.483 55.780 1.00 0.00 H new ATOM 0 HG2 GLN B 53 72.224 -8.781 56.288 1.00 0.00 H new ATOM 0 HG3 GLN B 53 72.155 -9.498 54.690 1.00 0.00 H new ATOM 0 HE21 GLN B 53 73.966 -7.321 56.163 1.00 0.00 H new ATOM 0 HE22 GLN B 53 74.109 -6.069 54.924 1.00 0.00 H new ATOM 1647 N VAL B 54 67.588 -8.676 54.936 1.00 0.00 N ATOM 1648 CA VAL B 54 66.130 -8.329 54.974 1.00 0.00 C ATOM 1649 C VAL B 54 65.334 -9.424 54.262 1.00 0.00 C ATOM 1650 O VAL B 54 65.723 -9.907 53.217 1.00 0.00 O ATOM 1651 CB VAL B 54 65.886 -6.989 54.266 1.00 0.00 C ATOM 1652 CG1 VAL B 54 66.375 -5.842 55.152 1.00 0.00 C ATOM 1653 CG2 VAL B 54 66.645 -6.963 52.937 1.00 0.00 C ATOM 0 H VAL B 54 68.069 -8.423 54.073 1.00 0.00 H new ATOM 0 HA VAL B 54 65.810 -8.248 56.013 1.00 0.00 H new ATOM 0 HB VAL B 54 64.819 -6.873 54.077 1.00 0.00 H new ATOM 0 HG11 VAL B 54 66.200 -4.892 54.647 1.00 0.00 H new ATOM 0 HG12 VAL B 54 65.832 -5.855 56.097 1.00 0.00 H new ATOM 0 HG13 VAL B 54 67.441 -5.960 55.344 1.00 0.00 H new ATOM 0 HG21 VAL B 54 66.470 -6.011 52.437 1.00 0.00 H new ATOM 0 HG22 VAL B 54 67.712 -7.083 53.125 1.00 0.00 H new ATOM 0 HG23 VAL B 54 66.294 -7.776 52.302 1.00 0.00 H new ATOM 1663 N ASP B 55 64.220 -9.816 54.815 1.00 0.00 N ATOM 1664 CA ASP B 55 63.393 -10.878 54.169 1.00 0.00 C ATOM 1665 C ASP B 55 62.410 -10.230 53.192 1.00 0.00 C ATOM 1666 O ASP B 55 61.987 -10.909 52.270 1.00 0.00 O ATOM 1667 CB ASP B 55 62.614 -11.640 55.244 1.00 0.00 C ATOM 1668 CG ASP B 55 63.572 -12.524 56.044 1.00 0.00 C ATOM 1669 OD1 ASP B 55 64.639 -12.820 55.533 1.00 0.00 O ATOM 1670 OD2 ASP B 55 63.221 -12.894 57.152 1.00 0.00 O ATOM 1671 OXT ASP B 55 62.100 -9.065 53.379 1.00 0.00 O ATOM 0 H ASP B 55 63.844 -9.447 55.689 1.00 0.00 H new ATOM 0 HA ASP B 55 64.041 -11.569 53.630 1.00 0.00 H new ATOM 0 HB2 ASP B 55 62.111 -10.938 55.909 1.00 0.00 H new ATOM 0 HB3 ASP B 55 61.840 -12.252 54.781 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.843 -1.765 35.979 1.00 0.00 CD HETATM 1678 CD CD B 56 89.794 -21.573 38.674 1.00 0.00 CD