USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -9.81! C(o=-21!,f=-25!) USER MOD Set 1.2: A 52 HIS : no HE2:sc= -4.89! C(o=-21!,f=-27!) USER MOD Set 1.3: A 78 HIS :FLIP no HE2:sc= -6.24! C(o=-23!,f=-21!) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc=-0.00103 (180deg=0) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -172:sc= 0.151 (180deg=0.0354) USER MOD Single : A 1 LEU N :NH3+ 171:sc= -0.376 (180deg=-0.66) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 171:sc= -2.24! USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= -2.15 (180deg=-2.45) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 44 SER OG : rot 180:sc= -1.15 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -69:sc= 0.84 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 50 SER OG : rot -60:sc= 0.0499 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.01 K(o=-1,f=-3.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0142) USER MOD Single : A 77 ASN : amide:sc= -4.68! C(o=-4.7!,f=-5.7!) USER MOD Single : A 79 THR OG1 : rot 69:sc= -4.8! USER MOD Single : A 80 THR OG1 : rot -80:sc= 0.445! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -10.875 20.567 -1.990 1.00 0.00 N ATOM 2 CA LEU A 1 -10.818 20.935 -3.430 1.00 0.00 C ATOM 3 C LEU A 1 -10.018 19.913 -4.229 1.00 0.00 C ATOM 4 O LEU A 1 -8.822 19.727 -4.000 1.00 0.00 O ATOM 5 CB LEU A 1 -10.186 22.327 -3.562 1.00 0.00 C ATOM 6 CG LEU A 1 -9.161 22.690 -2.484 1.00 0.00 C ATOM 7 CD1 LEU A 1 -7.875 21.902 -2.680 1.00 0.00 C ATOM 8 CD2 LEU A 1 -8.878 24.184 -2.502 1.00 0.00 C ATOM 0 H1 LEU A 1 -11.291 21.351 -1.448 1.00 0.00 H new ATOM 0 H2 LEU A 1 -11.460 19.715 -1.872 1.00 0.00 H new ATOM 0 H3 LEU A 1 -9.914 20.377 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.831 20.947 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.703 22.397 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.982 23.071 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 1 -9.578 22.428 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.160 22.174 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.089 20.835 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.453 22.131 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.148 24.425 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.482 24.468 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.801 24.731 -2.312 1.00 0.00 H new ATOM 22 N PHE A 2 -10.685 19.249 -5.168 1.00 0.00 N ATOM 23 CA PHE A 2 -10.034 18.243 -6.000 1.00 0.00 C ATOM 24 C PHE A 2 -9.548 17.070 -5.155 1.00 0.00 C ATOM 25 O PHE A 2 -8.806 17.254 -4.190 1.00 0.00 O ATOM 26 CB PHE A 2 -8.860 18.858 -6.764 1.00 0.00 C ATOM 27 CG PHE A 2 -8.735 18.361 -8.175 1.00 0.00 C ATOM 28 CD1 PHE A 2 -9.772 18.530 -9.078 1.00 0.00 C ATOM 29 CD2 PHE A 2 -7.580 17.722 -8.600 1.00 0.00 C ATOM 30 CE1 PHE A 2 -9.661 18.073 -10.377 1.00 0.00 C ATOM 31 CE2 PHE A 2 -7.463 17.264 -9.898 1.00 0.00 C ATOM 32 CZ PHE A 2 -8.505 17.438 -10.788 1.00 0.00 C ATOM 0 H PHE A 2 -11.675 19.389 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 2 -10.768 17.873 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.974 19.942 -6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.936 18.642 -6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.678 19.025 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -6.763 17.581 -7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.477 18.212 -11.071 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.557 16.770 -10.217 1.00 0.00 H new ATOM 0 HZ PHE A 2 -8.416 17.079 -11.803 1.00 0.00 H new ATOM 42 N ILE A 3 -9.972 15.866 -5.522 1.00 0.00 N ATOM 43 CA ILE A 3 -9.577 14.665 -4.796 1.00 0.00 C ATOM 44 C ILE A 3 -8.140 14.274 -5.126 1.00 0.00 C ATOM 45 O ILE A 3 -7.663 14.505 -6.237 1.00 0.00 O ATOM 46 CB ILE A 3 -10.512 13.479 -5.115 1.00 0.00 C ATOM 47 CG1 ILE A 3 -10.152 12.270 -4.250 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.438 13.123 -6.593 1.00 0.00 C ATOM 49 CD1 ILE A 3 -10.389 12.492 -2.772 1.00 0.00 C ATOM 0 H ILE A 3 -10.588 15.696 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.652 14.897 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.536 13.774 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.737 11.411 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.103 12.020 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.104 12.285 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.742 13.983 -7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.416 12.846 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.112 11.594 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.783 13.330 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.443 12.712 -2.602 1.00 0.00 H new ATOM 61 N ALA A 4 -7.456 13.682 -4.153 1.00 0.00 N ATOM 62 CA ALA A 4 -6.074 13.259 -4.341 1.00 0.00 C ATOM 63 C ALA A 4 -5.986 11.748 -4.527 1.00 0.00 C ATOM 64 O ALA A 4 -6.766 10.995 -3.945 1.00 0.00 O ATOM 65 CB ALA A 4 -5.224 13.699 -3.158 1.00 0.00 C ATOM 0 H ALA A 4 -7.836 13.485 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.692 13.733 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.194 13.377 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.256 14.785 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.613 13.250 -2.244 1.00 0.00 H new ATOM 71 N THR A 5 -5.032 11.311 -5.343 1.00 0.00 N ATOM 72 CA THR A 5 -4.846 9.888 -5.605 1.00 0.00 C ATOM 73 C THR A 5 -3.490 9.626 -6.252 1.00 0.00 C ATOM 74 O THR A 5 -3.070 10.348 -7.155 1.00 0.00 O ATOM 75 CB THR A 5 -5.965 9.366 -6.506 1.00 0.00 C ATOM 76 OG1 THR A 5 -6.355 10.352 -7.446 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.202 8.947 -5.742 1.00 0.00 C ATOM 0 H THR A 5 -4.377 11.920 -5.833 1.00 0.00 H new ATOM 0 HA THR A 5 -4.880 9.360 -4.652 1.00 0.00 H new ATOM 0 HB THR A 5 -5.549 8.489 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.071 9.998 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.957 8.587 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.946 8.151 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.596 9.801 -5.191 1.00 0.00 H new ATOM 85 N LEU A 6 -2.809 8.584 -5.783 1.00 0.00 N ATOM 86 CA LEU A 6 -1.500 8.223 -6.316 1.00 0.00 C ATOM 87 C LEU A 6 -1.526 6.821 -6.917 1.00 0.00 C ATOM 88 O LEU A 6 -1.821 5.845 -6.228 1.00 0.00 O ATOM 89 CB LEU A 6 -0.437 8.300 -5.217 1.00 0.00 C ATOM 90 CG LEU A 6 0.997 8.050 -5.687 1.00 0.00 C ATOM 91 CD1 LEU A 6 1.644 9.351 -6.138 1.00 0.00 C ATOM 92 CD2 LEU A 6 1.816 7.401 -4.581 1.00 0.00 C ATOM 0 H LEU A 6 -3.142 7.975 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.248 8.933 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.485 9.286 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.682 7.572 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 6 0.967 7.368 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.664 9.155 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.071 9.776 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.662 10.056 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.833 7.231 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.839 8.058 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.364 6.449 -4.304 1.00 0.00 H new ATOM 104 N LYS A 7 -1.215 6.729 -8.207 1.00 0.00 N ATOM 105 CA LYS A 7 -1.204 5.446 -8.901 1.00 0.00 C ATOM 106 C LYS A 7 0.103 5.248 -9.662 1.00 0.00 C ATOM 107 O LYS A 7 0.397 5.975 -10.612 1.00 0.00 O ATOM 108 CB LYS A 7 -2.390 5.354 -9.862 1.00 0.00 C ATOM 109 CG LYS A 7 -2.544 3.989 -10.515 1.00 0.00 C ATOM 110 CD LYS A 7 -2.147 4.021 -11.983 1.00 0.00 C ATOM 111 CE LYS A 7 -3.304 4.467 -12.866 1.00 0.00 C ATOM 112 NZ LYS A 7 -3.083 5.828 -13.427 1.00 0.00 N ATOM 0 H LYS A 7 -0.968 7.527 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.289 4.656 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.305 5.593 -9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.275 6.108 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.928 3.261 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.578 3.657 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.303 4.698 -12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.813 3.030 -12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.434 3.755 -13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.227 4.459 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.893 6.094 -14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.985 6.512 -12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.216 5.830 -14.002 1.00 0.00 H new ATOM 126 N GLY A 8 0.884 4.260 -9.239 1.00 0.00 N ATOM 127 CA GLY A 8 2.151 3.982 -9.891 1.00 0.00 C ATOM 128 C GLY A 8 2.443 2.497 -9.980 1.00 0.00 C ATOM 129 O GLY A 8 1.840 1.698 -9.264 1.00 0.00 O ATOM 0 H GLY A 8 0.662 3.646 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.141 4.408 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.954 4.475 -9.343 1.00 0.00 H new ATOM 133 N ILE A 9 3.368 2.125 -10.860 1.00 0.00 N ATOM 134 CA ILE A 9 3.730 0.723 -11.032 1.00 0.00 C ATOM 135 C ILE A 9 5.191 0.472 -10.667 1.00 0.00 C ATOM 136 O ILE A 9 6.101 1.095 -11.213 1.00 0.00 O ATOM 137 CB ILE A 9 3.469 0.239 -12.474 1.00 0.00 C ATOM 138 CG1 ILE A 9 3.583 -1.285 -12.550 1.00 0.00 C ATOM 139 CG2 ILE A 9 4.431 0.898 -13.452 1.00 0.00 C ATOM 140 CD1 ILE A 9 3.332 -1.841 -13.935 1.00 0.00 C ATOM 0 H ILE A 9 3.878 2.772 -11.462 1.00 0.00 H new ATOM 0 HA ILE A 9 3.095 0.154 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 9 2.456 0.527 -12.754 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.579 -1.584 -12.222 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.872 -1.730 -11.854 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.226 0.540 -14.461 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.301 1.980 -13.417 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.456 0.647 -13.179 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.429 -2.926 -13.914 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.326 -1.573 -14.258 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.060 -1.425 -14.632 1.00 0.00 H new ATOM 152 N PHE A 10 5.394 -0.449 -9.734 1.00 0.00 N ATOM 153 CA PHE A 10 6.727 -0.814 -9.266 1.00 0.00 C ATOM 154 C PHE A 10 7.043 -2.261 -9.646 1.00 0.00 C ATOM 155 O PHE A 10 6.445 -3.188 -9.104 1.00 0.00 O ATOM 156 CB PHE A 10 6.790 -0.674 -7.742 1.00 0.00 C ATOM 157 CG PHE A 10 7.312 0.648 -7.248 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.986 1.833 -7.888 1.00 0.00 C ATOM 159 CD2 PHE A 10 8.115 0.701 -6.122 1.00 0.00 C ATOM 160 CE1 PHE A 10 7.457 3.046 -7.413 1.00 0.00 C ATOM 161 CE2 PHE A 10 8.585 1.908 -5.641 1.00 0.00 C ATOM 162 CZ PHE A 10 8.256 3.081 -6.286 1.00 0.00 C ATOM 0 H PHE A 10 4.640 -0.965 -9.280 1.00 0.00 H new ATOM 0 HA PHE A 10 7.456 -0.152 -9.732 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.790 -0.828 -7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.421 -1.469 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.358 1.811 -8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.378 -0.214 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.200 3.963 -7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.210 1.932 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.622 4.026 -5.911 1.00 0.00 H new ATOM 172 N THR A 11 7.990 -2.462 -10.557 1.00 0.00 N ATOM 173 CA THR A 11 8.365 -3.817 -10.957 1.00 0.00 C ATOM 174 C THR A 11 9.093 -4.502 -9.803 1.00 0.00 C ATOM 175 O THR A 11 10.133 -4.035 -9.357 1.00 0.00 O ATOM 176 CB THR A 11 9.240 -3.791 -12.208 1.00 0.00 C ATOM 177 OG1 THR A 11 9.622 -2.467 -12.531 1.00 0.00 O ATOM 178 CG2 THR A 11 8.559 -4.378 -13.425 1.00 0.00 C ATOM 0 H THR A 11 8.506 -1.718 -11.027 1.00 0.00 H new ATOM 0 HA THR A 11 7.463 -4.380 -11.196 1.00 0.00 H new ATOM 0 HB THR A 11 10.108 -4.402 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.295 -2.485 -13.243 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.235 -4.329 -14.279 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.297 -5.418 -13.229 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.655 -3.811 -13.645 1.00 0.00 H new ATOM 186 N LEU A 12 8.527 -5.603 -9.312 1.00 0.00 N ATOM 187 CA LEU A 12 9.110 -6.344 -8.183 1.00 0.00 C ATOM 188 C LEU A 12 10.627 -6.154 -8.068 1.00 0.00 C ATOM 189 O LEU A 12 11.141 -5.875 -6.985 1.00 0.00 O ATOM 190 CB LEU A 12 8.777 -7.833 -8.287 1.00 0.00 C ATOM 191 CG LEU A 12 8.502 -8.528 -6.954 1.00 0.00 C ATOM 192 CD1 LEU A 12 7.174 -8.065 -6.372 1.00 0.00 C ATOM 193 CD2 LEU A 12 8.513 -10.040 -7.129 1.00 0.00 C ATOM 0 H LEU A 12 7.664 -6.006 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 12 8.663 -5.932 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.903 -7.951 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.605 -8.342 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 12 9.294 -8.257 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.996 -8.571 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.204 -6.988 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.369 -8.304 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.315 -10.519 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.743 -10.329 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.488 -10.356 -7.498 1.00 0.00 H new ATOM 205 N LYS A 13 11.340 -6.305 -9.182 1.00 0.00 N ATOM 206 CA LYS A 13 12.791 -6.146 -9.186 1.00 0.00 C ATOM 207 C LYS A 13 13.193 -4.772 -9.724 1.00 0.00 C ATOM 208 O LYS A 13 14.029 -4.086 -9.136 1.00 0.00 O ATOM 209 CB LYS A 13 13.460 -7.248 -10.017 1.00 0.00 C ATOM 210 CG LYS A 13 12.706 -8.573 -10.031 1.00 0.00 C ATOM 211 CD LYS A 13 12.324 -9.029 -8.627 1.00 0.00 C ATOM 212 CE LYS A 13 11.743 -10.438 -8.623 1.00 0.00 C ATOM 213 NZ LYS A 13 10.794 -10.662 -9.751 1.00 0.00 N ATOM 0 H LYS A 13 10.938 -6.536 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 13 13.133 -6.228 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.570 -6.896 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.464 -7.420 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.805 -8.471 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.324 -9.336 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.203 -8.998 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.596 -8.335 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.554 -11.163 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.229 -10.614 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.503 -11.660 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.956 -10.059 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.260 -10.423 -10.649 1.00 0.00 H new ATOM 227 N ASP A 14 12.596 -4.379 -10.848 1.00 0.00 N ATOM 228 CA ASP A 14 12.897 -3.089 -11.470 1.00 0.00 C ATOM 229 C ASP A 14 11.903 -2.015 -11.027 1.00 0.00 C ATOM 230 O ASP A 14 11.494 -1.167 -11.819 1.00 0.00 O ATOM 231 CB ASP A 14 12.873 -3.220 -12.996 1.00 0.00 C ATOM 232 CG ASP A 14 14.157 -3.809 -13.547 1.00 0.00 C ATOM 233 OD1 ASP A 14 15.191 -3.738 -12.850 1.00 0.00 O ATOM 234 OD2 ASP A 14 14.128 -4.340 -14.676 1.00 0.00 O ATOM 0 H ASP A 14 11.901 -4.935 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 14 13.893 -2.786 -11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.033 -3.849 -13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.707 -2.238 -13.439 1.00 0.00 H new ATOM 239 N LEU A 15 11.524 -2.060 -9.755 1.00 0.00 N ATOM 240 CA LEU A 15 10.579 -1.099 -9.196 1.00 0.00 C ATOM 241 C LEU A 15 11.253 0.188 -8.724 1.00 0.00 C ATOM 242 O LEU A 15 10.582 1.207 -8.561 1.00 0.00 O ATOM 243 CB LEU A 15 9.812 -1.715 -8.022 1.00 0.00 C ATOM 244 CG LEU A 15 10.673 -2.390 -6.952 1.00 0.00 C ATOM 245 CD1 LEU A 15 11.285 -1.351 -6.025 1.00 0.00 C ATOM 246 CD2 LEU A 15 9.844 -3.391 -6.161 1.00 0.00 C ATOM 0 H LEU A 15 11.858 -2.755 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 15 9.893 -0.844 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.221 -0.932 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.110 -2.450 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 15 11.483 -2.926 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.894 -1.850 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.910 -0.670 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.491 -0.787 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.469 -3.863 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.015 -2.875 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.453 -4.153 -6.835 1.00 0.00 H new ATOM 258 N PRO A 16 12.576 0.183 -8.470 1.00 0.00 N ATOM 259 CA PRO A 16 13.262 1.375 -7.996 1.00 0.00 C ATOM 260 C PRO A 16 13.630 2.335 -9.118 1.00 0.00 C ATOM 261 O PRO A 16 14.791 2.729 -9.256 1.00 0.00 O ATOM 262 CB PRO A 16 14.515 0.815 -7.341 1.00 0.00 C ATOM 263 CG PRO A 16 14.816 -0.436 -8.091 1.00 0.00 C ATOM 264 CD PRO A 16 13.500 -0.965 -8.598 1.00 0.00 C ATOM 0 HA PRO A 16 12.634 1.964 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 16 15.343 1.522 -7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.350 0.611 -6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.497 -0.237 -8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.304 -1.166 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.577 -1.301 -9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.160 -1.818 -8.010 1.00 0.00 H new ATOM 272 N GLU A 17 12.624 2.706 -9.905 1.00 0.00 N ATOM 273 CA GLU A 17 12.790 3.625 -11.034 1.00 0.00 C ATOM 274 C GLU A 17 13.894 4.655 -10.783 1.00 0.00 C ATOM 275 O GLU A 17 14.625 5.031 -11.700 1.00 0.00 O ATOM 276 CB GLU A 17 11.463 4.333 -11.322 1.00 0.00 C ATOM 277 CG GLU A 17 11.098 5.396 -10.296 1.00 0.00 C ATOM 278 CD GLU A 17 10.881 4.818 -8.911 1.00 0.00 C ATOM 279 OE1 GLU A 17 10.005 3.941 -8.764 1.00 0.00 O ATOM 280 OE2 GLU A 17 11.588 5.244 -7.973 1.00 0.00 O ATOM 0 H GLU A 17 11.666 2.378 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 17 13.090 3.035 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.515 4.796 -12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.666 3.590 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.891 6.143 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.192 5.910 -10.617 1.00 0.00 H new ATOM 287 N GLU A 18 14.009 5.105 -9.537 1.00 0.00 N ATOM 288 CA GLU A 18 15.024 6.084 -9.173 1.00 0.00 C ATOM 289 C GLU A 18 16.324 5.405 -8.768 1.00 0.00 C ATOM 290 O GLU A 18 17.376 5.636 -9.363 1.00 0.00 O ATOM 291 CB GLU A 18 14.521 6.970 -8.031 1.00 0.00 C ATOM 292 CG GLU A 18 15.429 8.153 -7.732 1.00 0.00 C ATOM 293 CD GLU A 18 16.214 7.975 -6.447 1.00 0.00 C ATOM 294 OE1 GLU A 18 15.645 8.226 -5.364 1.00 0.00 O ATOM 295 OE2 GLU A 18 17.398 7.586 -6.524 1.00 0.00 O ATOM 0 H GLU A 18 13.413 4.807 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 18 15.220 6.703 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.527 7.340 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.419 6.364 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.123 8.292 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.828 9.060 -7.664 1.00 0.00 H new ATOM 302 N PHE A 19 16.234 4.567 -7.751 1.00 0.00 N ATOM 303 CA PHE A 19 17.396 3.840 -7.245 1.00 0.00 C ATOM 304 C PHE A 19 16.987 2.787 -6.218 1.00 0.00 C ATOM 305 O PHE A 19 17.232 1.595 -6.402 1.00 0.00 O ATOM 306 CB PHE A 19 18.407 4.805 -6.625 1.00 0.00 C ATOM 307 CG PHE A 19 19.806 4.258 -6.592 1.00 0.00 C ATOM 308 CD1 PHE A 19 20.403 3.782 -7.747 1.00 0.00 C ATOM 309 CD2 PHE A 19 20.521 4.215 -5.406 1.00 0.00 C ATOM 310 CE1 PHE A 19 21.687 3.273 -7.722 1.00 0.00 C ATOM 311 CE2 PHE A 19 21.807 3.709 -5.374 1.00 0.00 C ATOM 312 CZ PHE A 19 22.390 3.237 -6.534 1.00 0.00 C ATOM 0 H PHE A 19 15.366 4.369 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 19 17.860 3.333 -8.091 1.00 0.00 H new ATOM 0 HB2 PHE A 19 18.402 5.738 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 19 18.094 5.045 -5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.858 3.809 -8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 19 20.068 4.581 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 19 22.140 2.904 -8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 19 22.355 3.683 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 19 23.394 2.840 -6.512 1.00 0.00 H new ATOM 322 N ARG A 20 16.370 3.241 -5.128 1.00 0.00 N ATOM 323 CA ARG A 20 15.932 2.345 -4.061 1.00 0.00 C ATOM 324 C ARG A 20 14.819 2.983 -3.229 1.00 0.00 C ATOM 325 O ARG A 20 15.088 3.753 -2.307 1.00 0.00 O ATOM 326 CB ARG A 20 17.111 1.978 -3.157 1.00 0.00 C ATOM 327 CG ARG A 20 18.035 3.148 -2.854 1.00 0.00 C ATOM 328 CD ARG A 20 18.462 3.163 -1.395 1.00 0.00 C ATOM 329 NE ARG A 20 19.743 2.487 -1.193 1.00 0.00 N ATOM 330 CZ ARG A 20 20.502 2.644 -0.110 1.00 0.00 C ATOM 331 NH1 ARG A 20 20.113 3.450 0.870 1.00 0.00 N ATOM 332 NH2 ARG A 20 21.653 1.994 -0.008 1.00 0.00 N ATOM 0 H ARG A 20 16.162 4.226 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 20 15.540 1.439 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.727 1.577 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.688 1.184 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.918 3.089 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.529 4.083 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.538 4.194 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.697 2.679 -0.788 1.00 0.00 H new ATOM 0 HE ARG A 20 20.075 1.858 -1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.229 3.953 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.698 3.566 1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.957 1.374 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.235 2.114 0.821 1.00 0.00 H new ATOM 346 N PRO A 21 13.550 2.673 -3.548 1.00 0.00 N ATOM 347 CA PRO A 21 12.395 3.219 -2.833 1.00 0.00 C ATOM 348 C PRO A 21 12.170 2.538 -1.486 1.00 0.00 C ATOM 349 O PRO A 21 13.088 1.946 -0.917 1.00 0.00 O ATOM 350 CB PRO A 21 11.235 2.927 -3.786 1.00 0.00 C ATOM 351 CG PRO A 21 11.647 1.687 -4.496 1.00 0.00 C ATOM 352 CD PRO A 21 13.142 1.767 -4.637 1.00 0.00 C ATOM 0 HA PRO A 21 12.517 4.275 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.301 2.783 -3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.075 3.750 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.355 0.800 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.166 1.618 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.606 0.786 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.431 2.158 -5.612 1.00 0.00 H new ATOM 360 N PHE A 22 10.947 2.633 -0.980 1.00 0.00 N ATOM 361 CA PHE A 22 10.594 2.035 0.301 1.00 0.00 C ATOM 362 C PHE A 22 10.120 0.589 0.138 1.00 0.00 C ATOM 363 O PHE A 22 9.900 -0.110 1.126 1.00 0.00 O ATOM 364 CB PHE A 22 9.505 2.876 0.973 1.00 0.00 C ATOM 365 CG PHE A 22 8.146 2.727 0.345 1.00 0.00 C ATOM 366 CD1 PHE A 22 7.812 3.442 -0.793 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.206 1.871 0.894 1.00 0.00 C ATOM 368 CE1 PHE A 22 6.565 3.307 -1.373 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.957 1.730 0.320 1.00 0.00 C ATOM 370 CZ PHE A 22 5.636 2.450 -0.815 1.00 0.00 C ATOM 0 H PHE A 22 10.179 3.121 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 22 11.486 2.018 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.441 2.597 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.797 3.926 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.535 4.113 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.452 1.307 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.317 3.870 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.233 1.058 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.660 2.343 -1.265 1.00 0.00 H new ATOM 380 N VAL A 23 9.953 0.149 -1.107 1.00 0.00 N ATOM 381 CA VAL A 23 9.494 -1.214 -1.382 1.00 0.00 C ATOM 382 C VAL A 23 10.647 -2.141 -1.769 1.00 0.00 C ATOM 383 O VAL A 23 10.459 -3.351 -1.896 1.00 0.00 O ATOM 384 CB VAL A 23 8.420 -1.255 -2.497 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.072 -1.669 -1.925 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.306 0.089 -3.204 1.00 0.00 C ATOM 0 H VAL A 23 10.127 0.712 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 23 9.051 -1.567 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 23 8.731 -1.997 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.330 -1.692 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.155 -2.660 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.764 -0.952 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.544 0.028 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.028 0.857 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.265 0.345 -3.655 1.00 0.00 H new ATOM 396 N ASP A 24 11.839 -1.579 -1.957 1.00 0.00 N ATOM 397 CA ASP A 24 13.004 -2.378 -2.329 1.00 0.00 C ATOM 398 C ASP A 24 13.217 -3.527 -1.347 1.00 0.00 C ATOM 399 O ASP A 24 13.834 -4.537 -1.686 1.00 0.00 O ATOM 400 CB ASP A 24 14.257 -1.502 -2.391 1.00 0.00 C ATOM 401 CG ASP A 24 15.480 -2.277 -2.845 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.331 -3.168 -3.708 1.00 0.00 O ATOM 403 OD2 ASP A 24 16.585 -1.993 -2.339 1.00 0.00 O ATOM 0 H ASP A 24 12.023 -0.581 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 24 12.819 -2.800 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.083 -0.670 -3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.446 -1.073 -1.407 1.00 0.00 H new ATOM 408 N TYR A 25 12.700 -3.371 -0.132 1.00 0.00 N ATOM 409 CA TYR A 25 12.834 -4.400 0.890 1.00 0.00 C ATOM 410 C TYR A 25 12.011 -5.632 0.526 1.00 0.00 C ATOM 411 O TYR A 25 12.379 -6.755 0.862 1.00 0.00 O ATOM 412 CB TYR A 25 12.405 -3.847 2.258 1.00 0.00 C ATOM 413 CG TYR A 25 10.920 -3.970 2.541 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.364 -5.181 2.937 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.078 -2.874 2.408 1.00 0.00 C ATOM 416 CE1 TYR A 25 9.010 -5.294 3.193 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.723 -2.980 2.663 1.00 0.00 C ATOM 418 CZ TYR A 25 8.195 -4.191 3.054 1.00 0.00 C ATOM 419 OH TYR A 25 6.847 -4.300 3.309 1.00 0.00 O ATOM 0 H TYR A 25 12.185 -2.543 0.167 1.00 0.00 H new ATOM 0 HA TYR A 25 13.881 -4.698 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.957 -4.371 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.689 -2.796 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.000 -6.047 3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.488 -1.923 2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.593 -6.242 3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.082 -2.118 2.556 1.00 0.00 H new ATOM 0 HH TYR A 25 6.416 -3.432 3.165 1.00 0.00 H new ATOM 429 N LYS A 26 10.895 -5.413 -0.161 1.00 0.00 N ATOM 430 CA LYS A 26 10.027 -6.512 -0.565 1.00 0.00 C ATOM 431 C LYS A 26 10.712 -7.380 -1.612 1.00 0.00 C ATOM 432 O LYS A 26 10.504 -8.593 -1.657 1.00 0.00 O ATOM 433 CB LYS A 26 8.702 -5.974 -1.111 1.00 0.00 C ATOM 434 CG LYS A 26 7.749 -7.063 -1.581 1.00 0.00 C ATOM 435 CD LYS A 26 6.492 -7.114 -0.727 1.00 0.00 C ATOM 436 CE LYS A 26 6.650 -8.070 0.445 1.00 0.00 C ATOM 437 NZ LYS A 26 6.240 -9.457 0.091 1.00 0.00 N ATOM 0 H LYS A 26 10.572 -4.489 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 26 9.821 -7.125 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.212 -5.384 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.908 -5.300 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.476 -6.884 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.253 -8.029 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.264 -6.115 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.647 -7.426 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.689 -8.072 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.050 -7.717 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.363 -10.077 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.241 -9.460 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.829 -9.804 -0.693 1.00 0.00 H new ATOM 451 N ALA A 27 11.537 -6.759 -2.450 1.00 0.00 N ATOM 452 CA ALA A 27 12.253 -7.492 -3.485 1.00 0.00 C ATOM 453 C ALA A 27 13.383 -8.323 -2.883 1.00 0.00 C ATOM 454 O ALA A 27 13.888 -9.248 -3.520 1.00 0.00 O ATOM 455 CB ALA A 27 12.794 -6.537 -4.539 1.00 0.00 C ATOM 0 H ALA A 27 11.724 -5.757 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 27 11.551 -8.174 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.326 -7.103 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.967 -5.995 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.477 -5.828 -4.071 1.00 0.00 H new ATOM 461 N GLY A 28 13.781 -7.990 -1.655 1.00 0.00 N ATOM 462 CA GLY A 28 14.848 -8.724 -1.002 1.00 0.00 C ATOM 463 C GLY A 28 14.559 -9.006 0.461 1.00 0.00 C ATOM 464 O GLY A 28 15.481 -9.118 1.269 1.00 0.00 O ATOM 0 H GLY A 28 13.384 -7.228 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.006 -9.667 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.775 -8.156 -1.081 1.00 0.00 H new ATOM 468 N LEU A 29 13.279 -9.117 0.807 1.00 0.00 N ATOM 469 CA LEU A 29 12.885 -9.383 2.188 1.00 0.00 C ATOM 470 C LEU A 29 13.272 -10.800 2.617 1.00 0.00 C ATOM 471 O LEU A 29 13.220 -11.132 3.801 1.00 0.00 O ATOM 472 CB LEU A 29 11.377 -9.159 2.367 1.00 0.00 C ATOM 473 CG LEU A 29 10.489 -10.388 2.136 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.214 -11.101 3.452 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.185 -9.986 1.465 1.00 0.00 C ATOM 0 H LEU A 29 12.500 -9.027 0.154 1.00 0.00 H new ATOM 0 HA LEU A 29 13.422 -8.684 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.201 -8.791 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.062 -8.372 1.682 1.00 0.00 H new ATOM 0 HG LEU A 29 11.018 -11.075 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.583 -11.971 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.156 -11.423 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.706 -10.421 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.568 -10.871 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.652 -9.279 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.399 -9.519 0.504 1.00 0.00 H new ATOM 487 N GLU A 30 13.659 -11.628 1.653 1.00 0.00 N ATOM 488 CA GLU A 30 14.054 -13.002 1.941 1.00 0.00 C ATOM 489 C GLU A 30 14.691 -13.657 0.718 1.00 0.00 C ATOM 490 O GLU A 30 14.346 -14.780 0.351 1.00 0.00 O ATOM 491 CB GLU A 30 12.843 -13.817 2.402 1.00 0.00 C ATOM 492 CG GLU A 30 13.209 -14.995 3.291 1.00 0.00 C ATOM 493 CD GLU A 30 11.990 -15.737 3.805 1.00 0.00 C ATOM 494 OE1 GLU A 30 10.909 -15.118 3.888 1.00 0.00 O ATOM 495 OE2 GLU A 30 12.119 -16.937 4.126 1.00 0.00 O ATOM 0 H GLU A 30 13.708 -11.372 0.667 1.00 0.00 H new ATOM 0 HA GLU A 30 14.794 -12.980 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.159 -13.163 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.308 -14.185 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.841 -15.685 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.797 -14.639 4.137 1.00 0.00 H new ATOM 502 N LYS A 31 15.624 -12.945 0.092 1.00 0.00 N ATOM 503 CA LYS A 31 16.312 -13.454 -1.088 1.00 0.00 C ATOM 504 C LYS A 31 15.324 -13.713 -2.221 1.00 0.00 C ATOM 505 O LYS A 31 15.363 -14.760 -2.869 1.00 0.00 O ATOM 506 CB LYS A 31 17.072 -14.738 -0.748 1.00 0.00 C ATOM 507 CG LYS A 31 18.108 -15.126 -1.791 1.00 0.00 C ATOM 508 CD LYS A 31 18.942 -16.314 -1.332 1.00 0.00 C ATOM 509 CE LYS A 31 20.092 -15.879 -0.437 1.00 0.00 C ATOM 510 NZ LYS A 31 20.017 -16.509 0.911 1.00 0.00 N ATOM 0 H LYS A 31 15.920 -12.013 0.383 1.00 0.00 H new ATOM 0 HA LYS A 31 17.025 -12.699 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.567 -14.613 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.358 -15.554 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.608 -15.371 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.761 -14.277 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.308 -17.018 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.336 -16.840 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.039 -16.143 -0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.080 -14.794 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.819 -16.187 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.125 -16.237 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.055 -17.544 0.813 1.00 0.00 H new ATOM 524 N LYS A 32 14.440 -12.751 -2.454 1.00 0.00 N ATOM 525 CA LYS A 32 13.439 -12.870 -3.509 1.00 0.00 C ATOM 526 C LYS A 32 14.083 -12.825 -4.895 1.00 0.00 C ATOM 527 O LYS A 32 13.444 -13.161 -5.892 1.00 0.00 O ATOM 528 CB LYS A 32 12.398 -11.753 -3.380 1.00 0.00 C ATOM 529 CG LYS A 32 11.053 -12.233 -2.859 1.00 0.00 C ATOM 530 CD LYS A 32 9.935 -11.962 -3.854 1.00 0.00 C ATOM 531 CE LYS A 32 8.616 -11.685 -3.150 1.00 0.00 C ATOM 532 NZ LYS A 32 8.277 -10.236 -3.150 1.00 0.00 N ATOM 0 H LYS A 32 14.395 -11.879 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 32 12.947 -13.836 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.784 -10.983 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.255 -11.286 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.104 -13.302 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.829 -11.735 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.201 -11.109 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.821 -12.819 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.819 -12.244 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.671 -12.044 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.445 -10.074 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.083 -9.691 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.066 -9.929 -4.121 1.00 0.00 H new ATOM 546 N LYS A 33 15.347 -12.405 -4.951 1.00 0.00 N ATOM 547 CA LYS A 33 16.083 -12.312 -6.213 1.00 0.00 C ATOM 548 C LYS A 33 15.263 -11.597 -7.287 1.00 0.00 C ATOM 549 O LYS A 33 14.164 -11.111 -7.024 1.00 0.00 O ATOM 550 CB LYS A 33 16.493 -13.706 -6.701 1.00 0.00 C ATOM 551 CG LYS A 33 15.328 -14.567 -7.167 1.00 0.00 C ATOM 552 CD LYS A 33 15.810 -15.785 -7.939 1.00 0.00 C ATOM 553 CE LYS A 33 15.932 -17.003 -7.038 1.00 0.00 C ATOM 554 NZ LYS A 33 16.971 -17.953 -7.524 1.00 0.00 N ATOM 0 H LYS A 33 15.886 -12.122 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 33 16.982 -11.724 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.202 -13.598 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.014 -14.223 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.744 -14.889 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.665 -13.974 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.116 -16.000 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.777 -15.569 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.179 -16.682 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.970 -17.513 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.022 -18.769 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.723 -18.279 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.894 -17.474 -7.550 1.00 0.00 H new ATOM 568 N LEU A 34 15.811 -11.532 -8.498 1.00 0.00 N ATOM 569 CA LEU A 34 15.133 -10.875 -9.610 1.00 0.00 C ATOM 570 C LEU A 34 14.834 -11.872 -10.728 1.00 0.00 C ATOM 571 O LEU A 34 15.747 -12.478 -11.291 1.00 0.00 O ATOM 572 CB LEU A 34 15.980 -9.714 -10.150 1.00 0.00 C ATOM 573 CG LEU A 34 16.833 -8.973 -9.113 1.00 0.00 C ATOM 574 CD1 LEU A 34 15.991 -8.555 -7.916 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.006 -9.834 -8.668 1.00 0.00 C ATOM 0 H LEU A 34 16.722 -11.926 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 34 14.189 -10.476 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.640 -10.101 -10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.315 -8.994 -10.627 1.00 0.00 H new ATOM 0 HG LEU A 34 17.227 -8.071 -9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.619 -8.031 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.190 -7.894 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.560 -9.440 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.598 -9.290 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.632 -10.756 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.629 -10.074 -9.530 1.00 0.00 H new ATOM 587 N SER A 35 13.551 -12.049 -11.037 1.00 0.00 N ATOM 588 CA SER A 35 13.134 -12.986 -12.077 1.00 0.00 C ATOM 589 C SER A 35 12.820 -12.270 -13.394 1.00 0.00 C ATOM 590 O SER A 35 13.701 -12.094 -14.235 1.00 0.00 O ATOM 591 CB SER A 35 11.922 -13.794 -11.605 1.00 0.00 C ATOM 592 OG SER A 35 11.363 -14.544 -12.669 1.00 0.00 O ATOM 0 H SER A 35 12.783 -11.556 -10.582 1.00 0.00 H new ATOM 0 HA SER A 35 13.965 -13.666 -12.264 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.220 -14.466 -10.800 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.169 -13.120 -11.196 1.00 0.00 H new ATOM 0 HG SER A 35 10.592 -15.052 -12.341 1.00 0.00 H new ATOM 598 N ASP A 36 11.560 -11.865 -13.576 1.00 0.00 N ATOM 599 CA ASP A 36 11.148 -11.180 -14.801 1.00 0.00 C ATOM 600 C ASP A 36 9.663 -10.814 -14.769 1.00 0.00 C ATOM 601 O ASP A 36 9.244 -9.842 -15.400 1.00 0.00 O ATOM 602 CB ASP A 36 11.436 -12.059 -16.019 1.00 0.00 C ATOM 603 CG ASP A 36 11.875 -11.251 -17.225 1.00 0.00 C ATOM 604 OD1 ASP A 36 12.305 -10.093 -17.039 1.00 0.00 O ATOM 605 OD2 ASP A 36 11.789 -11.776 -18.354 1.00 0.00 O ATOM 0 H ASP A 36 10.813 -11.999 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 36 11.723 -10.257 -14.872 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.213 -12.781 -15.767 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.542 -12.628 -16.272 1.00 0.00 H new ATOM 610 N ASP A 37 8.870 -11.588 -14.031 1.00 0.00 N ATOM 611 CA ASP A 37 7.433 -11.335 -13.919 1.00 0.00 C ATOM 612 C ASP A 37 7.140 -10.384 -12.759 1.00 0.00 C ATOM 613 O ASP A 37 6.029 -10.351 -12.230 1.00 0.00 O ATOM 614 CB ASP A 37 6.679 -12.651 -13.719 1.00 0.00 C ATOM 615 CG ASP A 37 6.350 -13.331 -15.033 1.00 0.00 C ATOM 616 OD1 ASP A 37 5.414 -12.871 -15.722 1.00 0.00 O ATOM 617 OD2 ASP A 37 7.027 -14.323 -15.375 1.00 0.00 O ATOM 0 H ASP A 37 9.197 -12.396 -13.501 1.00 0.00 H new ATOM 0 HA ASP A 37 7.095 -10.868 -14.844 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.280 -13.322 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.757 -12.459 -13.171 1.00 0.00 H new ATOM 622 N ASP A 38 8.153 -9.620 -12.372 1.00 0.00 N ATOM 623 CA ASP A 38 8.048 -8.664 -11.278 1.00 0.00 C ATOM 624 C ASP A 38 6.876 -7.704 -11.458 1.00 0.00 C ATOM 625 O ASP A 38 7.013 -6.661 -12.097 1.00 0.00 O ATOM 626 CB ASP A 38 9.345 -7.868 -11.177 1.00 0.00 C ATOM 627 CG ASP A 38 9.895 -7.460 -12.532 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.143 -7.539 -13.527 1.00 0.00 O ATOM 629 OD2 ASP A 38 11.077 -7.062 -12.597 1.00 0.00 O ATOM 0 H ASP A 38 9.074 -9.646 -12.810 1.00 0.00 H new ATOM 0 HA ASP A 38 7.872 -9.228 -10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.171 -6.975 -10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.091 -8.464 -10.652 1.00 0.00 H new ATOM 634 N GLU A 39 5.732 -8.048 -10.879 1.00 0.00 N ATOM 635 CA GLU A 39 4.549 -7.202 -10.977 1.00 0.00 C ATOM 636 C GLU A 39 3.988 -6.871 -9.595 1.00 0.00 C ATOM 637 O GLU A 39 3.294 -7.682 -8.985 1.00 0.00 O ATOM 638 CB GLU A 39 3.481 -7.889 -11.830 1.00 0.00 C ATOM 639 CG GLU A 39 3.971 -8.285 -13.212 1.00 0.00 C ATOM 640 CD GLU A 39 3.826 -7.166 -14.224 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.037 -6.232 -13.967 1.00 0.00 O ATOM 642 OE2 GLU A 39 4.500 -7.224 -15.274 1.00 0.00 O ATOM 0 H GLU A 39 5.598 -8.903 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 39 4.841 -6.266 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.129 -8.779 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.626 -7.221 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.018 -8.582 -13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.413 -9.156 -13.556 1.00 0.00 H new ATOM 649 N ILE A 40 4.292 -5.670 -9.111 1.00 0.00 N ATOM 650 CA ILE A 40 3.816 -5.223 -7.806 1.00 0.00 C ATOM 651 C ILE A 40 3.487 -3.731 -7.838 1.00 0.00 C ATOM 652 O ILE A 40 4.382 -2.886 -7.826 1.00 0.00 O ATOM 653 CB ILE A 40 4.857 -5.505 -6.699 1.00 0.00 C ATOM 654 CG1 ILE A 40 4.397 -4.924 -5.359 1.00 0.00 C ATOM 655 CG2 ILE A 40 6.214 -4.942 -7.088 1.00 0.00 C ATOM 656 CD1 ILE A 40 5.397 -5.121 -4.239 1.00 0.00 C ATOM 0 H ILE A 40 4.867 -4.988 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 40 2.911 -5.785 -7.576 1.00 0.00 H new ATOM 0 HB ILE A 40 4.951 -6.585 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.206 -3.858 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.452 -5.387 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.934 -5.150 -6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.549 -5.407 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.133 -3.864 -7.231 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.005 -4.685 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.571 -6.187 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.336 -4.634 -4.500 1.00 0.00 H new ATOM 668 N ALA A 41 2.196 -3.416 -7.890 1.00 0.00 N ATOM 669 CA ALA A 41 1.749 -2.028 -7.939 1.00 0.00 C ATOM 670 C ALA A 41 1.490 -1.467 -6.546 1.00 0.00 C ATOM 671 O ALA A 41 1.296 -2.213 -5.587 1.00 0.00 O ATOM 672 CB ALA A 41 0.496 -1.912 -8.793 1.00 0.00 C ATOM 0 H ALA A 41 1.442 -4.103 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 41 2.548 -1.439 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.171 -0.872 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.713 -2.254 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.295 -2.527 -8.364 1.00 0.00 H new ATOM 678 N ILE A 42 1.481 -0.139 -6.449 1.00 0.00 N ATOM 679 CA ILE A 42 1.239 0.541 -5.181 1.00 0.00 C ATOM 680 C ILE A 42 0.327 1.746 -5.385 1.00 0.00 C ATOM 681 O ILE A 42 0.439 2.456 -6.385 1.00 0.00 O ATOM 682 CB ILE A 42 2.555 1.010 -4.530 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.567 -0.137 -4.485 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.293 1.544 -3.130 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.995 0.327 -4.301 1.00 0.00 C ATOM 0 H ILE A 42 1.639 0.488 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 42 0.757 -0.177 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 42 2.973 1.815 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.304 -0.811 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.496 -0.711 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.232 1.871 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.604 2.387 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.855 0.757 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.658 -0.538 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.276 0.978 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.081 0.876 -3.363 1.00 0.00 H new ATOM 697 N ILE A 43 -0.579 1.974 -4.439 1.00 0.00 N ATOM 698 CA ILE A 43 -1.510 3.096 -4.533 1.00 0.00 C ATOM 699 C ILE A 43 -1.770 3.723 -3.166 1.00 0.00 C ATOM 700 O ILE A 43 -1.606 3.075 -2.130 1.00 0.00 O ATOM 701 CB ILE A 43 -2.859 2.673 -5.155 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.187 1.213 -4.811 1.00 0.00 C ATOM 703 CG2 ILE A 43 -2.839 2.885 -6.662 1.00 0.00 C ATOM 704 CD1 ILE A 43 -2.417 0.197 -5.630 1.00 0.00 C ATOM 0 H ILE A 43 -0.689 1.401 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.036 3.832 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.644 3.300 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.980 1.044 -3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.254 1.048 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.797 2.582 -7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.664 3.939 -6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.042 2.286 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.706 -0.809 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.643 0.336 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.348 0.333 -5.466 1.00 0.00 H new ATOM 716 N SER A 44 -2.182 4.991 -3.181 1.00 0.00 N ATOM 717 CA SER A 44 -2.475 5.726 -1.954 1.00 0.00 C ATOM 718 C SER A 44 -3.793 6.488 -2.084 1.00 0.00 C ATOM 719 O SER A 44 -4.128 6.986 -3.158 1.00 0.00 O ATOM 720 CB SER A 44 -1.339 6.700 -1.635 1.00 0.00 C ATOM 721 OG SER A 44 -1.454 7.887 -2.399 1.00 0.00 O ATOM 0 H SER A 44 -2.320 5.531 -4.035 1.00 0.00 H new ATOM 0 HA SER A 44 -2.567 5.008 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.354 6.945 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.380 6.224 -1.839 1.00 0.00 H new ATOM 0 HG SER A 44 -0.717 8.493 -2.175 1.00 0.00 H new ATOM 727 N ILE A 45 -4.539 6.573 -0.985 1.00 0.00 N ATOM 728 CA ILE A 45 -5.821 7.274 -0.985 1.00 0.00 C ATOM 729 C ILE A 45 -5.820 8.445 -0.002 1.00 0.00 C ATOM 730 O ILE A 45 -6.877 8.966 0.354 1.00 0.00 O ATOM 731 CB ILE A 45 -6.986 6.329 -0.625 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.893 5.028 -1.426 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.324 7.012 -0.870 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.269 3.801 -0.626 1.00 0.00 C ATOM 0 H ILE A 45 -4.279 6.167 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.963 7.651 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.913 6.085 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.545 5.099 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.875 4.912 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.134 6.330 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.393 7.908 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.405 7.287 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.181 2.915 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.601 3.706 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.297 3.896 -0.275 1.00 0.00 H new ATOM 746 N LYS A 46 -4.634 8.857 0.434 1.00 0.00 N ATOM 747 CA LYS A 46 -4.513 9.966 1.375 1.00 0.00 C ATOM 748 C LYS A 46 -5.331 9.703 2.636 1.00 0.00 C ATOM 749 O LYS A 46 -5.825 10.633 3.273 1.00 0.00 O ATOM 750 CB LYS A 46 -4.972 11.270 0.717 1.00 0.00 C ATOM 751 CG LYS A 46 -4.516 12.521 1.454 1.00 0.00 C ATOM 752 CD LYS A 46 -3.001 12.657 1.443 1.00 0.00 C ATOM 753 CE LYS A 46 -2.549 13.801 0.549 1.00 0.00 C ATOM 754 NZ LYS A 46 -1.198 13.558 -0.028 1.00 0.00 N ATOM 0 H LYS A 46 -3.746 8.442 0.152 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.464 10.058 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.595 11.303 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.060 11.272 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.964 13.400 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.871 12.487 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.643 12.825 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.554 11.725 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.269 13.936 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.537 14.727 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.928 14.362 -0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.506 13.454 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.215 12.688 -0.598 1.00 0.00 H new ATOM 768 N GLY A 47 -5.472 8.429 2.991 1.00 0.00 N ATOM 769 CA GLY A 47 -6.232 8.068 4.173 1.00 0.00 C ATOM 770 C GLY A 47 -5.358 7.926 5.405 1.00 0.00 C ATOM 771 O GLY A 47 -5.562 7.025 6.217 1.00 0.00 O ATOM 0 H GLY A 47 -5.073 7.641 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.993 8.826 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.755 7.129 3.992 1.00 0.00 H new ATOM 775 N THR A 48 -4.383 8.819 5.541 1.00 0.00 N ATOM 776 CA THR A 48 -3.471 8.795 6.679 1.00 0.00 C ATOM 777 C THR A 48 -2.748 7.452 6.781 1.00 0.00 C ATOM 778 O THR A 48 -2.235 7.094 7.842 1.00 0.00 O ATOM 779 CB THR A 48 -4.230 9.079 7.978 1.00 0.00 C ATOM 780 OG1 THR A 48 -4.918 7.924 8.423 1.00 0.00 O ATOM 781 CG2 THR A 48 -5.243 10.196 7.848 1.00 0.00 C ATOM 0 H THR A 48 -4.204 9.570 4.875 1.00 0.00 H new ATOM 0 HA THR A 48 -2.725 9.574 6.524 1.00 0.00 H new ATOM 0 HB THR A 48 -3.468 9.383 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.656 7.726 7.810 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.745 10.345 8.804 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.735 11.116 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.980 9.933 7.089 1.00 0.00 H new ATOM 789 N GLN A 49 -2.707 6.715 5.675 1.00 0.00 N ATOM 790 CA GLN A 49 -2.043 5.416 5.647 1.00 0.00 C ATOM 791 C GLN A 49 -1.611 5.042 4.228 1.00 0.00 C ATOM 792 O GLN A 49 -1.359 3.872 3.939 1.00 0.00 O ATOM 793 CB GLN A 49 -2.968 4.336 6.216 1.00 0.00 C ATOM 794 CG GLN A 49 -2.343 3.532 7.344 1.00 0.00 C ATOM 795 CD GLN A 49 -3.284 2.484 7.905 1.00 0.00 C ATOM 796 OE1 GLN A 49 -4.227 2.058 7.238 1.00 0.00 O ATOM 797 NE2 GLN A 49 -3.032 2.061 9.139 1.00 0.00 N ATOM 0 H GLN A 49 -3.125 6.995 4.788 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.148 5.484 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.882 4.807 6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.257 3.657 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.438 3.045 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.041 4.209 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.239 2.441 9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.631 1.356 9.569 1.00 0.00 H new ATOM 806 N SER A 50 -1.523 6.041 3.349 1.00 0.00 N ATOM 807 CA SER A 50 -1.119 5.820 1.961 1.00 0.00 C ATOM 808 C SER A 50 -1.787 4.578 1.373 1.00 0.00 C ATOM 809 O SER A 50 -1.204 3.881 0.543 1.00 0.00 O ATOM 810 CB SER A 50 0.402 5.685 1.870 1.00 0.00 C ATOM 811 OG SER A 50 0.860 5.956 0.556 1.00 0.00 O ATOM 0 H SER A 50 -1.727 7.014 3.575 1.00 0.00 H new ATOM 0 HA SER A 50 -1.442 6.684 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.874 6.372 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.699 4.678 2.162 1.00 0.00 H new ATOM 0 HG SER A 50 0.455 5.319 -0.069 1.00 0.00 H new ATOM 817 N ASN A 51 -3.011 4.305 1.813 1.00 0.00 N ATOM 818 CA ASN A 51 -3.754 3.145 1.332 1.00 0.00 C ATOM 819 C ASN A 51 -2.988 1.853 1.632 1.00 0.00 C ATOM 820 O ASN A 51 -2.864 1.460 2.792 1.00 0.00 O ATOM 821 CB ASN A 51 -4.044 3.288 -0.165 1.00 0.00 C ATOM 822 CG ASN A 51 -4.852 2.128 -0.715 1.00 0.00 C ATOM 823 OD1 ASN A 51 -5.777 1.640 -0.068 1.00 0.00 O ATOM 824 ND2 ASN A 51 -4.504 1.682 -1.915 1.00 0.00 N ATOM 0 H ASN A 51 -3.509 4.870 2.501 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.708 3.093 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.585 4.218 -0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.102 3.360 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.011 0.904 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.730 2.117 -2.416 1.00 0.00 H new ATOM 831 N HIS A 52 -2.469 1.197 0.597 1.00 0.00 N ATOM 832 CA HIS A 52 -1.715 -0.039 0.784 1.00 0.00 C ATOM 833 C HIS A 52 -1.034 -0.467 -0.513 1.00 0.00 C ATOM 834 O HIS A 52 -1.218 0.154 -1.560 1.00 0.00 O ATOM 835 CB HIS A 52 -2.616 -1.171 1.303 1.00 0.00 C ATOM 836 CG HIS A 52 -4.087 -0.895 1.224 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.790 -0.266 2.230 1.00 0.00 N ATOM 838 CD2 HIS A 52 -4.994 -1.189 0.261 1.00 0.00 C ATOM 839 CE1 HIS A 52 -6.066 -0.188 1.892 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.215 -0.741 0.702 1.00 0.00 N ATOM 0 H HIS A 52 -2.556 1.498 -0.374 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.948 0.160 1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.400 -2.076 0.735 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.355 -1.376 2.341 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.388 0.085 3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.794 -1.683 -0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.852 0.253 2.487 1.00 0.00 H new ATOM 849 N VAL A 53 -0.250 -1.539 -0.433 1.00 0.00 N ATOM 850 CA VAL A 53 0.458 -2.062 -1.595 1.00 0.00 C ATOM 851 C VAL A 53 -0.266 -3.277 -2.168 1.00 0.00 C ATOM 852 O VAL A 53 -0.940 -4.007 -1.442 1.00 0.00 O ATOM 853 CB VAL A 53 1.907 -2.453 -1.240 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.926 -3.525 -0.161 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.659 -2.920 -2.478 1.00 0.00 C ATOM 0 H VAL A 53 -0.090 -2.063 0.427 1.00 0.00 H new ATOM 0 HA VAL A 53 0.482 -1.269 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 53 2.412 -1.569 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.958 -3.786 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.434 -3.148 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.400 -4.410 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.679 -3.191 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.155 -3.788 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.682 -2.117 -3.214 1.00 0.00 H new ATOM 865 N LEU A 54 -0.127 -3.489 -3.473 1.00 0.00 N ATOM 866 CA LEU A 54 -0.774 -4.617 -4.134 1.00 0.00 C ATOM 867 C LEU A 54 0.251 -5.519 -4.815 1.00 0.00 C ATOM 868 O LEU A 54 1.070 -5.058 -5.611 1.00 0.00 O ATOM 869 CB LEU A 54 -1.793 -4.117 -5.160 1.00 0.00 C ATOM 870 CG LEU A 54 -2.968 -5.061 -5.418 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.487 -6.340 -6.087 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.691 -5.379 -4.117 1.00 0.00 C ATOM 0 H LEU A 54 0.426 -2.896 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.290 -5.201 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.185 -3.158 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.278 -3.937 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.669 -4.564 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.336 -7.000 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.013 -6.097 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.767 -6.840 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.524 -6.052 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.999 -5.857 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.068 -4.457 -3.676 1.00 0.00 H new ATOM 884 N PHE A 55 0.194 -6.809 -4.498 1.00 0.00 N ATOM 885 CA PHE A 55 1.110 -7.785 -5.077 1.00 0.00 C ATOM 886 C PHE A 55 0.495 -8.432 -6.315 1.00 0.00 C ATOM 887 O PHE A 55 -0.459 -9.204 -6.212 1.00 0.00 O ATOM 888 CB PHE A 55 1.456 -8.859 -4.042 1.00 0.00 C ATOM 889 CG PHE A 55 2.740 -9.587 -4.329 1.00 0.00 C ATOM 890 CD1 PHE A 55 3.949 -9.099 -3.858 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.737 -10.761 -5.065 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.130 -9.769 -4.117 1.00 0.00 C ATOM 893 CE2 PHE A 55 3.915 -11.435 -5.328 1.00 0.00 C ATOM 894 CZ PHE A 55 5.113 -10.937 -4.853 1.00 0.00 C ATOM 0 H PHE A 55 -0.479 -7.203 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 55 2.023 -7.268 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.525 -8.394 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.642 -9.582 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.968 -8.185 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.803 -11.154 -5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.065 -9.379 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.899 -12.349 -5.903 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.035 -11.461 -5.057 1.00 0.00 H new ATOM 904 N LEU A 56 1.044 -8.113 -7.484 1.00 0.00 N ATOM 905 CA LEU A 56 0.540 -8.666 -8.736 1.00 0.00 C ATOM 906 C LEU A 56 1.334 -9.906 -9.138 1.00 0.00 C ATOM 907 O LEU A 56 2.525 -10.014 -8.847 1.00 0.00 O ATOM 908 CB LEU A 56 0.602 -7.622 -9.858 1.00 0.00 C ATOM 909 CG LEU A 56 0.417 -6.165 -9.421 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.276 -5.236 -10.269 1.00 0.00 C ATOM 911 CD2 LEU A 56 -1.049 -5.765 -9.511 1.00 0.00 C ATOM 0 H LEU A 56 1.835 -7.477 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.501 -8.950 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.565 -7.712 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.165 -7.861 -10.595 1.00 0.00 H new ATOM 0 HG LEU A 56 0.738 -6.075 -8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.130 -4.206 -9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.326 -5.507 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.988 -5.329 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.163 -4.727 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.393 -5.873 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.642 -6.408 -8.861 1.00 0.00 H new ATOM 923 N SER A 57 0.667 -10.840 -9.806 1.00 0.00 N ATOM 924 CA SER A 57 1.312 -12.071 -10.247 1.00 0.00 C ATOM 925 C SER A 57 1.688 -11.988 -11.721 1.00 0.00 C ATOM 926 O SER A 57 2.692 -12.556 -12.151 1.00 0.00 O ATOM 927 CB SER A 57 0.389 -13.267 -10.009 1.00 0.00 C ATOM 928 OG SER A 57 1.019 -14.480 -10.385 1.00 0.00 O ATOM 0 H SER A 57 -0.320 -10.768 -10.054 1.00 0.00 H new ATOM 0 HA SER A 57 2.224 -12.204 -9.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.109 -13.310 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.531 -13.139 -10.579 1.00 0.00 H new ATOM 0 HG SER A 57 0.409 -15.230 -10.222 1.00 0.00 H new ATOM 934 N SER A 58 0.872 -11.276 -12.492 1.00 0.00 N ATOM 935 CA SER A 58 1.113 -11.114 -13.920 1.00 0.00 C ATOM 936 C SER A 58 0.093 -10.163 -14.534 1.00 0.00 C ATOM 937 O SER A 58 -0.941 -9.874 -13.930 1.00 0.00 O ATOM 938 CB SER A 58 1.057 -12.471 -14.626 1.00 0.00 C ATOM 939 OG SER A 58 2.109 -12.600 -15.567 1.00 0.00 O ATOM 0 H SER A 58 0.036 -10.801 -12.150 1.00 0.00 H new ATOM 0 HA SER A 58 2.107 -10.688 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.124 -13.271 -13.889 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.097 -12.582 -15.131 1.00 0.00 H new ATOM 0 HG SER A 58 2.052 -13.476 -16.003 1.00 0.00 H new ATOM 945 N TYR A 59 0.385 -9.680 -15.736 1.00 0.00 N ATOM 946 CA TYR A 59 -0.512 -8.760 -16.426 1.00 0.00 C ATOM 947 C TYR A 59 -0.877 -9.286 -17.810 1.00 0.00 C ATOM 948 O TYR A 59 -0.022 -9.783 -18.544 1.00 0.00 O ATOM 949 CB TYR A 59 0.133 -7.378 -16.546 1.00 0.00 C ATOM 950 CG TYR A 59 -0.863 -6.261 -16.760 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.025 -6.186 -16.001 1.00 0.00 C ATOM 952 CD2 TYR A 59 -0.641 -5.279 -17.717 1.00 0.00 C ATOM 953 CE1 TYR A 59 -2.937 -5.165 -16.192 1.00 0.00 C ATOM 954 CE2 TYR A 59 -1.548 -4.255 -17.914 1.00 0.00 C ATOM 955 CZ TYR A 59 -2.694 -4.203 -17.149 1.00 0.00 C ATOM 956 OH TYR A 59 -3.600 -3.185 -17.341 1.00 0.00 O ATOM 0 H TYR A 59 1.234 -9.909 -16.252 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.426 -8.677 -15.838 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.706 -7.174 -15.641 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.840 -7.387 -17.376 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.218 -6.938 -15.250 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.256 -5.316 -18.318 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.836 -5.121 -15.594 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.360 -3.500 -18.663 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.279 -2.591 -18.051 1.00 0.00 H new ATOM 966 N ASN A 60 -2.154 -9.170 -18.160 1.00 0.00 N ATOM 967 CA ASN A 60 -2.640 -9.631 -19.455 1.00 0.00 C ATOM 968 C ASN A 60 -4.059 -9.130 -19.707 1.00 0.00 C ATOM 969 O ASN A 60 -4.892 -9.115 -18.800 1.00 0.00 O ATOM 970 CB ASN A 60 -2.604 -11.159 -19.522 1.00 0.00 C ATOM 971 CG ASN A 60 -1.347 -11.678 -20.194 1.00 0.00 C ATOM 972 OD1 ASN A 60 -0.673 -10.949 -20.921 1.00 0.00 O ATOM 973 ND2 ASN A 60 -1.026 -12.944 -19.952 1.00 0.00 N ATOM 0 H ASN A 60 -2.872 -8.760 -17.563 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.987 -9.227 -20.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.668 -11.566 -18.513 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.478 -11.517 -20.066 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.191 -13.348 -20.376 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.614 -13.512 -19.342 1.00 0.00 H new ATOM 980 N SER A 61 -4.328 -8.716 -20.942 1.00 0.00 N ATOM 981 CA SER A 61 -5.648 -8.209 -21.309 1.00 0.00 C ATOM 982 C SER A 61 -5.951 -6.906 -20.576 1.00 0.00 C ATOM 983 O SER A 61 -5.071 -6.320 -19.945 1.00 0.00 O ATOM 984 CB SER A 61 -6.728 -9.248 -20.995 1.00 0.00 C ATOM 985 OG SER A 61 -6.403 -10.508 -21.555 1.00 0.00 O ATOM 0 H SER A 61 -3.651 -8.721 -21.705 1.00 0.00 H new ATOM 0 HA SER A 61 -5.648 -8.013 -22.381 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.841 -9.345 -19.915 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.687 -8.909 -21.386 1.00 0.00 H new ATOM 0 HG SER A 61 -7.108 -11.154 -21.339 1.00 0.00 H new ATOM 991 N VAL A 62 -7.199 -6.459 -20.659 1.00 0.00 N ATOM 992 CA VAL A 62 -7.612 -5.225 -20.000 1.00 0.00 C ATOM 993 C VAL A 62 -9.097 -5.256 -19.652 1.00 0.00 C ATOM 994 O VAL A 62 -9.927 -4.715 -20.382 1.00 0.00 O ATOM 995 CB VAL A 62 -7.327 -3.994 -20.880 1.00 0.00 C ATOM 996 CG1 VAL A 62 -5.845 -3.658 -20.863 1.00 0.00 C ATOM 997 CG2 VAL A 62 -7.812 -4.229 -22.304 1.00 0.00 C ATOM 0 H VAL A 62 -7.941 -6.931 -21.175 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.029 -5.148 -19.082 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.874 -3.144 -20.471 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.663 -2.785 -21.490 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.533 -3.442 -19.841 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.275 -4.505 -21.245 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.602 -3.348 -22.910 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.296 -5.091 -22.726 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.886 -4.416 -22.296 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.422 -5.892 -18.530 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.807 -5.995 -18.083 1.00 0.00 C ATOM 1009 C ASP A 63 -10.903 -6.791 -16.784 1.00 0.00 C ATOM 1010 O ASP A 63 -11.495 -6.334 -15.806 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.669 -6.653 -19.163 1.00 0.00 C ATOM 1012 CG ASP A 63 -11.018 -7.891 -19.750 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -10.053 -7.742 -20.530 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -11.473 -9.010 -19.431 1.00 0.00 O ATOM 0 H ASP A 63 -8.745 -6.343 -17.914 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.177 -4.986 -17.899 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.636 -6.922 -18.738 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.860 -5.934 -19.960 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.313 -7.982 -16.781 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.332 -8.843 -15.602 1.00 0.00 C ATOM 1021 C GLU A 64 -9.174 -8.524 -14.658 1.00 0.00 C ATOM 1022 O GLU A 64 -8.954 -9.231 -13.674 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.266 -10.312 -16.019 1.00 0.00 C ATOM 1024 CG GLU A 64 -8.978 -10.683 -16.737 1.00 0.00 C ATOM 1025 CD GLU A 64 -9.128 -11.920 -17.602 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -9.877 -11.860 -18.599 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -8.497 -12.948 -17.281 1.00 0.00 O ATOM 0 H GLU A 64 -9.816 -8.373 -17.581 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.266 -8.657 -15.072 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.371 -10.938 -15.133 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.112 -10.535 -16.669 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.659 -9.846 -17.358 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.192 -10.852 -16.001 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.437 -7.458 -14.957 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.308 -7.054 -14.129 1.00 0.00 C ATOM 1036 C ILE A 65 -7.534 -5.666 -13.541 1.00 0.00 C ATOM 1037 O ILE A 65 -7.210 -5.412 -12.380 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.980 -7.058 -14.918 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.215 -6.688 -16.391 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.293 -8.412 -14.793 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -6.746 -7.825 -17.247 1.00 0.00 C ATOM 0 H ILE A 65 -8.602 -6.860 -15.766 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.235 -7.786 -13.325 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.322 -6.302 -14.490 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.918 -5.856 -16.436 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.276 -6.335 -16.819 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.359 -8.399 -15.354 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.083 -8.618 -13.743 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.945 -9.189 -15.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.883 -7.477 -18.271 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.035 -8.651 -17.237 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.702 -8.165 -16.849 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.097 -4.772 -14.346 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.371 -3.410 -13.904 1.00 0.00 C ATOM 1055 C ARG A 66 -9.596 -3.371 -12.997 1.00 0.00 C ATOM 1056 O ARG A 66 -9.636 -2.622 -12.022 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.584 -2.490 -15.107 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.070 -1.077 -14.890 1.00 0.00 C ATOM 1059 CD ARG A 66 -7.773 -0.385 -16.210 1.00 0.00 C ATOM 1060 NE ARG A 66 -8.877 0.470 -16.640 1.00 0.00 N ATOM 1061 CZ ARG A 66 -8.755 1.440 -17.543 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -7.581 1.681 -18.114 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -9.810 2.169 -17.878 1.00 0.00 N ATOM 0 H ARG A 66 -8.373 -4.966 -15.309 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.508 -3.059 -13.338 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.085 -2.920 -15.976 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.648 -2.449 -15.339 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.810 -0.501 -14.334 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.166 -1.107 -14.282 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.868 0.214 -16.110 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.575 -1.135 -16.976 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.795 0.314 -16.224 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.767 1.121 -17.861 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.493 2.426 -18.805 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.715 1.986 -17.444 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.717 2.913 -18.570 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.596 -4.185 -13.325 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.824 -4.242 -12.538 1.00 0.00 C ATOM 1079 C LYS A 67 -11.526 -4.614 -11.089 1.00 0.00 C ATOM 1080 O LYS A 67 -12.032 -3.985 -10.159 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.798 -5.253 -13.148 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.833 -4.622 -14.065 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.733 -5.672 -14.695 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.025 -5.061 -15.214 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.059 -6.095 -15.491 1.00 0.00 N ATOM 0 H LYS A 67 -10.580 -4.813 -14.129 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.282 -3.253 -12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.233 -5.997 -13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.311 -5.782 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.439 -3.914 -13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.329 -4.056 -14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.206 -6.160 -15.514 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.964 -6.443 -13.960 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.410 -4.351 -14.482 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.820 -4.500 -16.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.923 -5.636 -15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.703 -6.759 -16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.274 -6.614 -14.616 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.702 -5.640 -10.904 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.340 -6.096 -9.567 1.00 0.00 C ATOM 1101 C GLU A 68 -9.436 -5.083 -8.870 1.00 0.00 C ATOM 1102 O GLU A 68 -9.623 -4.776 -7.693 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.643 -7.456 -9.640 1.00 0.00 C ATOM 1104 CG GLU A 68 -10.147 -8.452 -8.608 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.544 -8.224 -7.235 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -9.029 -7.113 -6.988 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.585 -9.158 -6.407 1.00 0.00 O ATOM 0 H GLU A 68 -10.273 -6.171 -11.662 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.256 -6.196 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.784 -7.875 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.571 -7.314 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.233 -8.382 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.913 -9.464 -8.940 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.457 -4.564 -9.605 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.527 -3.585 -9.054 1.00 0.00 C ATOM 1116 C LEU A 69 -8.254 -2.301 -8.675 1.00 0.00 C ATOM 1117 O LEU A 69 -8.132 -1.817 -7.550 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.416 -3.279 -10.060 1.00 0.00 C ATOM 1119 CG LEU A 69 -5.251 -4.270 -10.064 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.434 -4.124 -11.339 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -4.372 -4.065 -8.840 1.00 0.00 C ATOM 0 H LEU A 69 -8.288 -4.805 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.082 -4.010 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.850 -3.249 -11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.024 -2.283 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.657 -5.281 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.609 -4.836 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.069 -4.320 -12.203 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.038 -3.111 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.548 -4.779 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.973 -3.051 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.964 -4.219 -7.937 1.00 0.00 H new ATOM 1133 N GLU A 70 -9.016 -1.755 -9.619 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.768 -0.528 -9.377 1.00 0.00 C ATOM 1135 C GLU A 70 -10.595 -0.650 -8.101 1.00 0.00 C ATOM 1136 O GLU A 70 -10.803 0.329 -7.384 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.677 -0.217 -10.565 1.00 0.00 C ATOM 1138 CG GLU A 70 -11.032 1.256 -10.692 1.00 0.00 C ATOM 1139 CD GLU A 70 -12.275 1.487 -11.527 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -12.476 0.745 -12.511 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -13.049 2.411 -11.195 1.00 0.00 O ATOM 0 H GLU A 70 -9.129 -2.142 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.058 0.290 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.187 -0.544 -11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.595 -0.796 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.184 1.676 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.194 1.790 -11.139 1.00 0.00 H new ATOM 1148 N GLU A 71 -11.056 -1.866 -7.824 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.853 -2.128 -6.633 1.00 0.00 C ATOM 1150 C GLU A 71 -11.036 -1.858 -5.373 1.00 0.00 C ATOM 1151 O GLU A 71 -11.503 -1.191 -4.449 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.350 -3.575 -6.634 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.806 -3.720 -7.048 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.075 -5.014 -7.791 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.852 -6.094 -7.205 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -14.508 -4.947 -8.962 1.00 0.00 O ATOM 0 H GLU A 71 -10.891 -2.685 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.714 -1.459 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.729 -4.163 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.221 -3.995 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.438 -3.677 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.086 -2.877 -7.680 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.812 -2.380 -5.347 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.927 -2.196 -4.203 1.00 0.00 C ATOM 1165 C ALA A 72 -8.563 -0.727 -4.022 1.00 0.00 C ATOM 1166 O ALA A 72 -8.316 -0.271 -2.906 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.672 -3.038 -4.370 1.00 0.00 C ATOM 0 H ALA A 72 -9.412 -2.933 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.455 -2.524 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.019 -2.892 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.947 -4.090 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.149 -2.736 -5.278 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.532 0.010 -5.127 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.196 1.421 -5.069 1.00 0.00 C ATOM 1175 C GLY A 73 -9.126 2.201 -4.160 1.00 0.00 C ATOM 1176 O GLY A 73 -8.701 2.730 -3.132 1.00 0.00 O ATOM 0 H GLY A 73 -8.734 -0.344 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.170 1.533 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.236 1.843 -6.073 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.400 2.275 -4.539 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.393 2.997 -3.750 1.00 0.00 C ATOM 1182 C ALA A 74 -12.746 3.009 -4.453 1.00 0.00 C ATOM 1183 O ALA A 74 -13.339 4.066 -4.669 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.927 4.420 -3.483 1.00 0.00 C ATOM 0 H ALA A 74 -10.768 1.844 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.508 2.480 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.679 4.945 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.986 4.398 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.782 4.939 -4.430 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.230 1.826 -4.808 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.514 1.702 -5.486 1.00 0.00 C ATOM 1192 C LYS A 75 -15.610 1.306 -4.509 1.00 0.00 C ATOM 1193 O LYS A 75 -16.425 2.133 -4.100 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.420 0.682 -6.626 1.00 0.00 C ATOM 1195 CG LYS A 75 -14.813 1.251 -7.979 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.197 0.152 -8.955 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.746 0.726 -10.252 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.133 1.242 -10.087 1.00 0.00 N ATOM 0 H LYS A 75 -12.754 0.940 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.770 2.674 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.399 0.304 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.063 -0.168 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.650 1.939 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.983 1.828 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.325 -0.466 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.944 -0.497 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.097 1.532 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.734 -0.044 -11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.508 1.531 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.736 0.495 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.125 2.061 -9.446 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.618 0.039 -4.140 1.00 0.00 N ATOM 1213 CA ILE A 76 -16.609 -0.481 -3.208 1.00 0.00 C ATOM 1214 C ILE A 76 -16.198 -0.201 -1.763 1.00 0.00 C ATOM 1215 O ILE A 76 -16.679 0.750 -1.147 1.00 0.00 O ATOM 1216 CB ILE A 76 -16.825 -1.998 -3.402 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.221 -2.293 -4.851 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -17.885 -2.520 -2.439 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.152 -3.761 -5.209 1.00 0.00 C ATOM 0 H ILE A 76 -14.947 -0.654 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 76 -17.548 0.032 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.889 -2.512 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -18.235 -1.933 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.567 -1.733 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.021 -3.590 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.565 -2.339 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.828 -2.004 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -17.446 -3.896 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -16.133 -4.122 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.828 -4.325 -4.565 1.00 0.00 H new ATOM 1231 N ASN A 77 -15.307 -1.029 -1.226 1.00 0.00 N ATOM 1232 CA ASN A 77 -14.837 -0.857 0.145 1.00 0.00 C ATOM 1233 C ASN A 77 -13.783 -1.899 0.513 1.00 0.00 C ATOM 1234 O ASN A 77 -13.604 -2.220 1.689 1.00 0.00 O ATOM 1235 CB ASN A 77 -16.013 -0.944 1.120 1.00 0.00 C ATOM 1236 CG ASN A 77 -16.890 -2.152 0.860 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -18.007 -2.027 0.358 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -16.387 -3.333 1.203 1.00 0.00 N ATOM 0 H ASN A 77 -14.897 -1.823 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.377 0.128 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.633 -0.987 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.614 -0.038 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.932 -4.182 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.456 -3.390 1.616 1.00 0.00 H new ATOM 1245 N HIS A 78 -13.081 -2.421 -0.491 1.00 0.00 N ATOM 1246 CA HIS A 78 -12.043 -3.421 -0.261 1.00 0.00 C ATOM 1247 C HIS A 78 -12.577 -4.598 0.555 1.00 0.00 C ATOM 1248 O HIS A 78 -13.718 -4.581 1.020 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.853 -2.786 0.462 1.00 0.00 C ATOM 1250 CG HIS A 78 -9.541 -3.011 -0.223 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.754 -4.112 -0.293 1.00 0.00 N flip ATOM 1252 CD2 HIS A 78 -8.889 -2.030 -0.942 1.00 0.00 C flip ATOM 1253 CE1 HIS A 78 -7.654 -3.777 -1.044 1.00 0.00 C flip ATOM 1254 NE2 HIS A 78 -7.760 -2.517 -1.423 1.00 0.00 N flip ATOM 0 H HIS A 78 -13.213 -2.168 -1.470 1.00 0.00 H new ATOM 0 HA HIS A 78 -11.720 -3.798 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -11.025 -1.714 0.554 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.798 -3.188 1.474 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -8.943 -5.020 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.246 -1.021 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.835 -4.438 -1.285 1.00 0.00 H new ATOM 1263 N THR A 79 -11.739 -5.612 0.731 1.00 0.00 N ATOM 1264 CA THR A 79 -12.115 -6.792 1.500 1.00 0.00 C ATOM 1265 C THR A 79 -11.118 -7.050 2.632 1.00 0.00 C ATOM 1266 O THR A 79 -11.245 -8.025 3.370 1.00 0.00 O ATOM 1267 CB THR A 79 -12.205 -8.018 0.590 1.00 0.00 C ATOM 1268 OG1 THR A 79 -10.938 -8.339 0.048 1.00 0.00 O ATOM 1269 CG2 THR A 79 -13.164 -7.836 -0.566 1.00 0.00 C ATOM 0 H THR A 79 -10.793 -5.641 0.351 1.00 0.00 H new ATOM 0 HA THR A 79 -13.095 -6.607 1.941 1.00 0.00 H new ATOM 0 HB THR A 79 -12.575 -8.821 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.351 -8.669 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.180 -8.742 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.165 -7.639 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.839 -6.995 -1.179 1.00 0.00 H new ATOM 1277 N THR A 80 -10.131 -6.162 2.766 1.00 0.00 N ATOM 1278 CA THR A 80 -9.112 -6.276 3.810 1.00 0.00 C ATOM 1279 C THR A 80 -8.087 -7.363 3.484 1.00 0.00 C ATOM 1280 O THR A 80 -6.921 -7.063 3.233 1.00 0.00 O ATOM 1281 CB THR A 80 -9.750 -6.533 5.183 1.00 0.00 C ATOM 1282 OG1 THR A 80 -9.951 -7.918 5.405 1.00 0.00 O ATOM 1283 CG2 THR A 80 -11.086 -5.841 5.365 1.00 0.00 C ATOM 0 H THR A 80 -10.016 -5.350 2.159 1.00 0.00 H new ATOM 0 HA THR A 80 -8.586 -5.322 3.849 1.00 0.00 H new ATOM 0 HB THR A 80 -9.042 -6.121 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.764 -8.209 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.480 -6.065 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.955 -4.764 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.785 -6.195 4.608 1.00 0.00 H new ATOM 1291 N LEU A 81 -8.516 -8.623 3.501 1.00 0.00 N ATOM 1292 CA LEU A 81 -7.606 -9.731 3.214 1.00 0.00 C ATOM 1293 C LEU A 81 -8.313 -10.898 2.526 1.00 0.00 C ATOM 1294 O LEU A 81 -7.750 -11.986 2.414 1.00 0.00 O ATOM 1295 CB LEU A 81 -6.953 -10.219 4.508 1.00 0.00 C ATOM 1296 CG LEU A 81 -5.718 -9.431 4.948 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.277 -9.866 6.337 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -4.587 -9.609 3.947 1.00 0.00 C ATOM 0 H LEU A 81 -9.475 -8.901 3.708 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.845 -9.355 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.693 -10.181 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.672 -11.265 4.383 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.979 -8.373 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.397 -9.296 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.084 -9.686 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.034 -10.928 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.717 -9.041 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.326 -10.665 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.906 -9.248 2.969 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.540 -10.679 2.061 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.287 -11.734 1.386 1.00 0.00 C ATOM 1312 C LYS A 82 -9.723 -11.986 -0.006 1.00 0.00 C ATOM 1313 O LYS A 82 -9.432 -13.125 -0.371 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.769 -11.373 1.292 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.383 -10.965 2.621 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.871 -10.691 2.485 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.312 -9.542 3.378 1.00 0.00 C ATOM 1318 NZ LYS A 82 -15.765 -9.251 3.229 1.00 0.00 N ATOM 0 H LYS A 82 -10.033 -9.790 2.138 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.187 -12.646 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.891 -10.557 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.318 -12.227 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.223 -11.755 3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.881 -10.074 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.105 -10.456 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.432 -11.589 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.095 -9.786 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.736 -8.650 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.027 -8.462 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.968 -8.993 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.316 -10.094 3.487 1.00 0.00 H new ATOM 1332 N ILE A 83 -9.564 -10.916 -0.780 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.027 -11.029 -2.131 1.00 0.00 C ATOM 1334 C ILE A 83 -7.707 -11.794 -2.129 1.00 0.00 C ATOM 1335 O ILE A 83 -7.351 -12.444 -3.112 1.00 0.00 O ATOM 1336 CB ILE A 83 -8.821 -9.643 -2.784 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -7.663 -8.886 -2.118 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -10.105 -8.826 -2.707 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -7.950 -8.455 -0.695 1.00 0.00 C ATOM 0 H ILE A 83 -9.799 -9.965 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.761 -11.579 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.565 -9.796 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.776 -9.520 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.428 -8.004 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.945 -7.853 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -10.903 -9.351 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.387 -8.689 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.085 -7.927 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.817 -7.794 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.155 -9.333 -0.083 1.00 0.00 H new ATOM 1351 N LEU A 84 -6.990 -11.718 -1.014 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.718 -12.410 -0.881 1.00 0.00 C ATOM 1353 C LEU A 84 -5.941 -13.914 -0.819 1.00 0.00 C ATOM 1354 O LEU A 84 -5.327 -14.673 -1.571 1.00 0.00 O ATOM 1355 CB LEU A 84 -4.975 -11.930 0.369 1.00 0.00 C ATOM 1356 CG LEU A 84 -3.566 -11.392 0.118 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -3.618 -9.925 -0.280 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -2.697 -11.581 1.351 1.00 0.00 C ATOM 0 H LEU A 84 -7.269 -11.184 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.106 -12.183 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.566 -11.149 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.911 -12.758 1.075 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.123 -11.955 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.606 -9.559 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.206 -9.816 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.080 -9.347 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.698 -11.193 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.136 -11.044 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.633 -12.642 1.592 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.833 -14.341 0.067 1.00 0.00 N ATOM 1371 CA GLU A 85 -7.140 -15.756 0.201 1.00 0.00 C ATOM 1372 C GLU A 85 -7.854 -16.261 -1.050 1.00 0.00 C ATOM 1373 O GLU A 85 -7.920 -17.465 -1.295 1.00 0.00 O ATOM 1374 CB GLU A 85 -8.005 -16.006 1.437 1.00 0.00 C ATOM 1375 CG GLU A 85 -9.226 -15.106 1.519 1.00 0.00 C ATOM 1376 CD GLU A 85 -10.199 -15.538 2.599 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -9.802 -15.554 3.783 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -11.357 -15.860 2.260 1.00 0.00 O ATOM 0 H GLU A 85 -7.352 -13.731 0.698 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.204 -16.301 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.330 -17.046 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.397 -15.862 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.906 -14.082 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.736 -15.104 0.556 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.381 -15.328 -1.843 1.00 0.00 N ATOM 1386 CA GLY A 86 -9.074 -15.697 -3.059 1.00 0.00 C ATOM 1387 C GLY A 86 -8.128 -15.891 -4.227 1.00 0.00 C ATOM 1388 O GLY A 86 -8.349 -16.761 -5.069 1.00 0.00 O ATOM 0 H GLY A 86 -8.338 -14.325 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.633 -16.618 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.801 -14.924 -3.308 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.069 -15.082 -4.283 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.095 -15.185 -5.367 1.00 0.00 C ATOM 1394 C HIS A 87 -5.054 -14.071 -5.282 1.00 0.00 C ATOM 1395 O HIS A 87 -5.094 -13.112 -6.053 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.797 -15.136 -6.727 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.872 -14.097 -6.813 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.636 -12.799 -7.217 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -9.198 -14.169 -6.546 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -8.768 -12.119 -7.193 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -9.730 -12.927 -6.791 1.00 0.00 N ATOM 0 H HIS A 87 -6.866 -14.355 -3.597 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.585 -16.143 -5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.055 -14.943 -7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.231 -16.113 -6.937 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.728 -12.423 -7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.736 -15.041 -6.204 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.886 -11.079 -7.457 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.122 -14.208 -4.346 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.069 -13.214 -4.169 1.00 0.00 C ATOM 1412 C LEU A 88 -2.001 -13.718 -3.203 1.00 0.00 C ATOM 1413 O LEU A 88 -1.244 -12.880 -2.670 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.662 -11.898 -3.663 1.00 0.00 C ATOM 1415 CG LEU A 88 -3.264 -10.658 -4.466 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -4.036 -10.600 -5.775 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -3.501 -9.397 -3.651 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.931 -14.947 -2.987 1.00 0.00 O ATOM 0 H LEU A 88 -4.074 -14.995 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.599 -13.040 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.749 -11.981 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.357 -11.754 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.201 -10.724 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.740 -9.712 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.817 -11.489 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.105 -10.557 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.212 -8.525 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.557 -9.326 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.904 -9.435 -2.740 1.00 0.00 H new TER 1430 LEU A 88