USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -170:sc= -1.12 USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -3.39! (180deg=-5.17!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 1.05 (180deg=0.662) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.041) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0145 (180deg=-0.207) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= -0.0783 (180deg=-2.32!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 24:sc= -0.246 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -79:sc= 0.247! USER MOD Single : A 49 GLN : amide:sc= -0.265 K(o=-0.27,f=-2.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-1.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 59 TYR OH : rot -58:sc= 0.561 USER MOD Single : A 60 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.051) USER MOD Single : A 61 SER OG : rot 21:sc= 0.0976 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=-0.0367) USER MOD Single : A 77 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.18 X(o=-0.18,f=-0.54) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.418 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -2.67 X(o=-2.7,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.047 18.984 -7.412 1.00 0.00 N ATOM 2 CA LEU A 1 -10.938 19.612 -6.648 1.00 0.00 C ATOM 3 C LEU A 1 -10.855 19.047 -5.233 1.00 0.00 C ATOM 4 O LEU A 1 -10.834 19.794 -4.255 1.00 0.00 O ATOM 5 CB LEU A 1 -11.172 21.125 -6.606 1.00 0.00 C ATOM 6 CG LEU A 1 -9.921 21.979 -6.816 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.940 21.780 -5.672 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.267 21.646 -8.148 1.00 0.00 C ATOM 0 H1 LEU A 1 -12.080 19.387 -8.370 1.00 0.00 H new ATOM 0 H2 LEU A 1 -11.889 17.958 -7.473 1.00 0.00 H new ATOM 0 H3 LEU A 1 -12.949 19.167 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 1 -9.991 19.393 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.904 21.386 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.612 21.383 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.218 23.028 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.056 22.396 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.412 22.070 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -8.647 20.731 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.378 22.263 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.984 20.594 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.970 21.843 -8.958 1.00 0.00 H new ATOM 22 N PHE A 2 -10.806 17.723 -5.133 1.00 0.00 N ATOM 23 CA PHE A 2 -10.725 17.056 -3.839 1.00 0.00 C ATOM 24 C PHE A 2 -10.398 15.575 -4.012 1.00 0.00 C ATOM 25 O PHE A 2 -10.754 14.965 -5.018 1.00 0.00 O ATOM 26 CB PHE A 2 -12.041 17.219 -3.075 1.00 0.00 C ATOM 27 CG PHE A 2 -11.859 17.510 -1.612 1.00 0.00 C ATOM 28 CD1 PHE A 2 -10.919 18.436 -1.187 1.00 0.00 C ATOM 29 CD2 PHE A 2 -12.629 16.859 -0.661 1.00 0.00 C ATOM 30 CE1 PHE A 2 -10.751 18.707 0.157 1.00 0.00 C ATOM 31 CE2 PHE A 2 -12.465 17.125 0.684 1.00 0.00 C ATOM 32 CZ PHE A 2 -11.524 18.050 1.095 1.00 0.00 C ATOM 0 H PHE A 2 -10.821 17.090 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.923 17.521 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -12.616 18.027 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.630 16.308 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.311 18.952 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -13.366 16.135 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.016 19.432 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -13.072 16.610 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.393 18.259 2.147 1.00 0.00 H new ATOM 42 N ILE A 3 -9.714 15.006 -3.024 1.00 0.00 N ATOM 43 CA ILE A 3 -9.334 13.599 -3.069 1.00 0.00 C ATOM 44 C ILE A 3 -8.405 13.325 -4.250 1.00 0.00 C ATOM 45 O ILE A 3 -8.815 13.410 -5.408 1.00 0.00 O ATOM 46 CB ILE A 3 -10.577 12.682 -3.164 1.00 0.00 C ATOM 47 CG1 ILE A 3 -11.367 12.721 -1.855 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.172 11.249 -3.492 1.00 0.00 C ATOM 49 CD1 ILE A 3 -11.943 14.082 -1.536 1.00 0.00 C ATOM 0 H ILE A 3 -9.412 15.498 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.808 13.376 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.211 13.051 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.179 11.996 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.716 12.411 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.063 10.624 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.648 11.229 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.515 10.868 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.490 14.034 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.135 14.808 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.620 14.386 -2.334 1.00 0.00 H new ATOM 61 N ALA A 4 -7.155 12.994 -3.946 1.00 0.00 N ATOM 62 CA ALA A 4 -6.167 12.705 -4.978 1.00 0.00 C ATOM 63 C ALA A 4 -5.520 11.344 -4.750 1.00 0.00 C ATOM 64 O ALA A 4 -4.587 11.214 -3.958 1.00 0.00 O ATOM 65 CB ALA A 4 -5.106 13.795 -5.014 1.00 0.00 C ATOM 0 H ALA A 4 -6.802 12.919 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.679 12.680 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.375 13.566 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.577 14.754 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.605 13.847 -4.047 1.00 0.00 H new ATOM 71 N THR A 5 -6.023 10.332 -5.448 1.00 0.00 N ATOM 72 CA THR A 5 -5.495 8.980 -5.320 1.00 0.00 C ATOM 73 C THR A 5 -4.101 8.882 -5.929 1.00 0.00 C ATOM 74 O THR A 5 -3.806 9.525 -6.937 1.00 0.00 O ATOM 75 CB THR A 5 -6.431 7.976 -5.996 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.092 8.571 -7.099 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.490 7.426 -5.066 1.00 0.00 C ATOM 0 H THR A 5 -6.795 10.423 -6.108 1.00 0.00 H new ATOM 0 HA THR A 5 -5.427 8.743 -4.258 1.00 0.00 H new ATOM 0 HB THR A 5 -5.791 7.154 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.684 7.913 -7.519 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.120 6.720 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.011 6.917 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.104 8.244 -4.689 1.00 0.00 H new ATOM 85 N LEU A 6 -3.245 8.075 -5.311 1.00 0.00 N ATOM 86 CA LEU A 6 -1.881 7.894 -5.793 1.00 0.00 C ATOM 87 C LEU A 6 -1.720 6.541 -6.477 1.00 0.00 C ATOM 88 O LEU A 6 -2.261 5.535 -6.018 1.00 0.00 O ATOM 89 CB LEU A 6 -0.889 8.019 -4.635 1.00 0.00 C ATOM 90 CG LEU A 6 -0.297 9.415 -4.436 1.00 0.00 C ATOM 91 CD1 LEU A 6 0.627 9.773 -5.589 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.406 10.447 -4.298 1.00 0.00 C ATOM 0 H LEU A 6 -3.472 7.536 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.673 8.675 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.389 7.719 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.073 7.315 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 6 0.289 9.414 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.038 10.770 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.440 9.049 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.066 9.757 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.968 11.435 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.018 10.447 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.028 10.200 -3.438 1.00 0.00 H new ATOM 104 N LYS A 7 -0.973 6.523 -7.576 1.00 0.00 N ATOM 105 CA LYS A 7 -0.741 5.292 -8.323 1.00 0.00 C ATOM 106 C LYS A 7 0.630 5.309 -8.991 1.00 0.00 C ATOM 107 O LYS A 7 1.041 6.320 -9.560 1.00 0.00 O ATOM 108 CB LYS A 7 -1.831 5.099 -9.379 1.00 0.00 C ATOM 109 CG LYS A 7 -3.234 5.375 -8.864 1.00 0.00 C ATOM 110 CD LYS A 7 -4.292 4.781 -9.782 1.00 0.00 C ATOM 111 CE LYS A 7 -4.477 3.293 -9.533 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.916 2.911 -9.495 1.00 0.00 N ATOM 0 H LYS A 7 -0.518 7.347 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.772 4.460 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.627 5.757 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.785 4.076 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.344 4.958 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.387 6.451 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.240 5.297 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.006 4.944 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.972 2.728 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.004 3.021 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.999 1.889 -9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.393 3.431 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.362 3.147 -10.405 1.00 0.00 H new ATOM 126 N GLY A 8 1.332 4.184 -8.917 1.00 0.00 N ATOM 127 CA GLY A 8 2.649 4.092 -9.519 1.00 0.00 C ATOM 128 C GLY A 8 3.028 2.669 -9.874 1.00 0.00 C ATOM 129 O GLY A 8 2.805 1.745 -9.090 1.00 0.00 O ATOM 0 H GLY A 8 1.013 3.334 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.677 4.707 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.389 4.500 -8.830 1.00 0.00 H new ATOM 133 N ILE A 9 3.604 2.490 -11.058 1.00 0.00 N ATOM 134 CA ILE A 9 4.017 1.170 -11.518 1.00 0.00 C ATOM 135 C ILE A 9 5.435 0.848 -11.057 1.00 0.00 C ATOM 136 O ILE A 9 6.409 1.374 -11.596 1.00 0.00 O ATOM 137 CB ILE A 9 3.951 1.060 -13.054 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.612 1.594 -13.568 1.00 0.00 C ATOM 139 CG2 ILE A 9 4.157 -0.383 -13.491 1.00 0.00 C ATOM 140 CD1 ILE A 9 2.680 3.025 -14.055 1.00 0.00 C ATOM 0 H ILE A 9 3.796 3.244 -11.717 1.00 0.00 H new ATOM 0 HA ILE A 9 3.322 0.452 -11.082 1.00 0.00 H new ATOM 0 HB ILE A 9 4.750 1.665 -13.482 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.264 0.958 -14.382 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.872 1.525 -12.771 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.108 -0.445 -14.578 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.133 -0.730 -13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.378 -1.009 -13.056 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.696 3.337 -14.405 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.997 3.673 -13.238 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.396 3.097 -14.874 1.00 0.00 H new ATOM 152 N PHE A 10 5.541 -0.018 -10.055 1.00 0.00 N ATOM 153 CA PHE A 10 6.838 -0.412 -9.515 1.00 0.00 C ATOM 154 C PHE A 10 7.268 -1.768 -10.073 1.00 0.00 C ATOM 155 O PHE A 10 6.461 -2.692 -10.171 1.00 0.00 O ATOM 156 CB PHE A 10 6.778 -0.468 -7.986 1.00 0.00 C ATOM 157 CG PHE A 10 6.659 0.880 -7.327 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.642 1.756 -7.675 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.565 1.269 -6.352 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.535 2.993 -7.064 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.463 2.502 -5.739 1.00 0.00 C ATOM 162 CZ PHE A 10 6.447 3.366 -6.096 1.00 0.00 C ATOM 0 H PHE A 10 4.743 -0.461 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 10 7.575 0.333 -9.815 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.928 -1.082 -7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.675 -0.964 -7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.926 1.470 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.362 0.598 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.739 3.667 -7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.177 2.790 -4.981 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.365 4.332 -5.619 1.00 0.00 H new ATOM 172 N THR A 11 8.544 -1.881 -10.436 1.00 0.00 N ATOM 173 CA THR A 11 9.077 -3.127 -10.984 1.00 0.00 C ATOM 174 C THR A 11 9.902 -3.873 -9.938 1.00 0.00 C ATOM 175 O THR A 11 10.941 -3.385 -9.502 1.00 0.00 O ATOM 176 CB THR A 11 9.935 -2.841 -12.217 1.00 0.00 C ATOM 177 OG1 THR A 11 10.720 -1.679 -12.024 1.00 0.00 O ATOM 178 CG2 THR A 11 9.124 -2.645 -13.480 1.00 0.00 C ATOM 0 H THR A 11 9.227 -1.127 -10.361 1.00 0.00 H new ATOM 0 HA THR A 11 8.235 -3.756 -11.274 1.00 0.00 H new ATOM 0 HB THR A 11 10.562 -3.724 -12.342 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.139 -1.423 -12.872 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.795 -2.446 -14.316 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.546 -3.546 -13.685 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.446 -1.801 -13.350 1.00 0.00 H new ATOM 186 N LEU A 12 9.416 -5.055 -9.545 1.00 0.00 N ATOM 187 CA LEU A 12 10.071 -5.912 -8.540 1.00 0.00 C ATOM 188 C LEU A 12 11.399 -5.348 -8.025 1.00 0.00 C ATOM 189 O LEU A 12 11.464 -4.792 -6.929 1.00 0.00 O ATOM 190 CB LEU A 12 10.301 -7.312 -9.114 1.00 0.00 C ATOM 191 CG LEU A 12 10.975 -8.298 -8.155 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.940 -8.971 -7.265 1.00 0.00 C ATOM 193 CD2 LEU A 12 11.771 -9.335 -8.932 1.00 0.00 C ATOM 0 H LEU A 12 8.552 -5.450 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 12 9.393 -5.953 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.340 -7.725 -9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.913 -7.225 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 12 11.664 -7.744 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.438 -9.668 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.415 -8.215 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.225 -9.513 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.243 -10.028 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.103 -9.885 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.538 -8.836 -9.524 1.00 0.00 H new ATOM 205 N LYS A 13 12.457 -5.513 -8.813 1.00 0.00 N ATOM 206 CA LYS A 13 13.780 -5.038 -8.426 1.00 0.00 C ATOM 207 C LYS A 13 13.869 -3.518 -8.504 1.00 0.00 C ATOM 208 O LYS A 13 14.406 -2.872 -7.603 1.00 0.00 O ATOM 209 CB LYS A 13 14.844 -5.677 -9.319 1.00 0.00 C ATOM 210 CG LYS A 13 14.707 -7.188 -9.425 1.00 0.00 C ATOM 211 CD LYS A 13 15.887 -7.901 -8.786 1.00 0.00 C ATOM 212 CE LYS A 13 15.854 -7.785 -7.271 1.00 0.00 C ATOM 213 NZ LYS A 13 14.497 -8.060 -6.725 1.00 0.00 N ATOM 0 H LYS A 13 12.423 -5.972 -9.723 1.00 0.00 H new ATOM 0 HA LYS A 13 13.956 -5.329 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.781 -5.242 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.832 -5.435 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.783 -7.505 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.632 -7.475 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.876 -8.953 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.818 -7.478 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.569 -8.484 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.168 -6.784 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.582 -8.451 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.951 -7.176 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.009 -8.745 -7.336 1.00 0.00 H new ATOM 227 N ASP A 14 13.339 -2.950 -9.580 1.00 0.00 N ATOM 228 CA ASP A 14 13.357 -1.505 -9.769 1.00 0.00 C ATOM 229 C ASP A 14 12.094 -0.857 -9.202 1.00 0.00 C ATOM 230 O ASP A 14 11.555 0.084 -9.785 1.00 0.00 O ATOM 231 CB ASP A 14 13.493 -1.169 -11.255 1.00 0.00 C ATOM 232 CG ASP A 14 14.938 -1.155 -11.715 1.00 0.00 C ATOM 233 OD1 ASP A 14 15.791 -1.735 -11.010 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.217 -0.563 -12.780 1.00 0.00 O ATOM 0 H ASP A 14 12.891 -3.468 -10.336 1.00 0.00 H new ATOM 0 HA ASP A 14 14.216 -1.106 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.935 -1.898 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.044 -0.194 -11.447 1.00 0.00 H new ATOM 239 N LEU A 15 11.626 -1.364 -8.060 1.00 0.00 N ATOM 240 CA LEU A 15 10.427 -0.829 -7.415 1.00 0.00 C ATOM 241 C LEU A 15 10.478 0.699 -7.347 1.00 0.00 C ATOM 242 O LEU A 15 9.642 1.382 -7.935 1.00 0.00 O ATOM 243 CB LEU A 15 10.277 -1.409 -5.996 1.00 0.00 C ATOM 244 CG LEU A 15 9.245 -2.537 -5.823 1.00 0.00 C ATOM 245 CD1 LEU A 15 7.904 -1.984 -5.363 1.00 0.00 C ATOM 246 CD2 LEU A 15 9.079 -3.330 -7.108 1.00 0.00 C ATOM 0 H LEU A 15 12.059 -2.143 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 15 9.565 -1.121 -8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.249 -1.783 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.010 -0.596 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 15 9.620 -3.211 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.193 -2.802 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.029 -1.475 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.528 -1.278 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.344 -4.120 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.739 -2.667 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.035 -3.773 -7.388 1.00 0.00 H new ATOM 258 N PRO A 16 11.469 1.256 -6.627 1.00 0.00 N ATOM 259 CA PRO A 16 11.623 2.708 -6.478 1.00 0.00 C ATOM 260 C PRO A 16 12.248 3.372 -7.697 1.00 0.00 C ATOM 261 O PRO A 16 13.205 4.143 -7.576 1.00 0.00 O ATOM 262 CB PRO A 16 12.558 2.825 -5.283 1.00 0.00 C ATOM 263 CG PRO A 16 13.408 1.605 -5.364 1.00 0.00 C ATOM 264 CD PRO A 16 12.518 0.516 -5.897 1.00 0.00 C ATOM 0 HA PRO A 16 10.661 3.206 -6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.159 3.733 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.003 2.863 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.262 1.767 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.805 1.340 -4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.063 -0.162 -6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.098 -0.088 -5.093 1.00 0.00 H new ATOM 272 N GLU A 17 11.691 3.078 -8.867 1.00 0.00 N ATOM 273 CA GLU A 17 12.175 3.642 -10.127 1.00 0.00 C ATOM 274 C GLU A 17 12.544 5.114 -9.968 1.00 0.00 C ATOM 275 O GLU A 17 13.453 5.612 -10.631 1.00 0.00 O ATOM 276 CB GLU A 17 11.115 3.487 -11.219 1.00 0.00 C ATOM 277 CG GLU A 17 11.564 3.997 -12.580 1.00 0.00 C ATOM 278 CD GLU A 17 11.605 2.904 -13.630 1.00 0.00 C ATOM 279 OE1 GLU A 17 10.650 2.102 -13.691 1.00 0.00 O ATOM 280 OE2 GLU A 17 12.594 2.851 -14.392 1.00 0.00 O ATOM 0 H GLU A 17 10.897 2.447 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 17 13.072 3.094 -10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.846 2.434 -11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.215 4.023 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.888 4.786 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.554 4.444 -12.488 1.00 0.00 H new ATOM 287 N GLU A 18 11.835 5.798 -9.078 1.00 0.00 N ATOM 288 CA GLU A 18 12.091 7.206 -8.823 1.00 0.00 C ATOM 289 C GLU A 18 13.465 7.402 -8.205 1.00 0.00 C ATOM 290 O GLU A 18 14.372 7.951 -8.833 1.00 0.00 O ATOM 291 CB GLU A 18 11.012 7.786 -7.904 1.00 0.00 C ATOM 292 CG GLU A 18 9.602 7.362 -8.278 1.00 0.00 C ATOM 293 CD GLU A 18 8.539 8.166 -7.554 1.00 0.00 C ATOM 294 OE1 GLU A 18 8.863 8.774 -6.513 1.00 0.00 O ATOM 295 OE2 GLU A 18 7.384 8.186 -8.029 1.00 0.00 O ATOM 0 H GLU A 18 11.079 5.398 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 18 12.064 7.734 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.215 7.477 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.073 8.874 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.467 7.473 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.472 6.305 -8.048 1.00 0.00 H new ATOM 302 N PHE A 19 13.610 6.946 -6.973 1.00 0.00 N ATOM 303 CA PHE A 19 14.878 7.062 -6.254 1.00 0.00 C ATOM 304 C PHE A 19 14.858 6.267 -4.945 1.00 0.00 C ATOM 305 O PHE A 19 15.331 5.132 -4.891 1.00 0.00 O ATOM 306 CB PHE A 19 15.228 8.536 -5.973 1.00 0.00 C ATOM 307 CG PHE A 19 14.143 9.521 -6.326 1.00 0.00 C ATOM 308 CD1 PHE A 19 12.874 9.408 -5.779 1.00 0.00 C ATOM 309 CD2 PHE A 19 14.399 10.562 -7.205 1.00 0.00 C ATOM 310 CE1 PHE A 19 11.882 10.314 -6.103 1.00 0.00 C ATOM 311 CE2 PHE A 19 13.409 11.470 -7.533 1.00 0.00 C ATOM 312 CZ PHE A 19 12.150 11.346 -6.981 1.00 0.00 C ATOM 0 H PHE A 19 12.867 6.490 -6.444 1.00 0.00 H new ATOM 0 HA PHE A 19 15.649 6.639 -6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.466 8.643 -4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.129 8.794 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.658 8.603 -5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.383 10.665 -7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.898 10.215 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.621 12.276 -8.221 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.376 12.055 -7.235 1.00 0.00 H new ATOM 322 N ARG A 20 14.324 6.881 -3.887 1.00 0.00 N ATOM 323 CA ARG A 20 14.258 6.247 -2.572 1.00 0.00 C ATOM 324 C ARG A 20 13.579 4.876 -2.635 1.00 0.00 C ATOM 325 O ARG A 20 12.495 4.738 -3.201 1.00 0.00 O ATOM 326 CB ARG A 20 13.509 7.149 -1.590 1.00 0.00 C ATOM 327 CG ARG A 20 13.603 6.686 -0.145 1.00 0.00 C ATOM 328 CD ARG A 20 15.006 6.878 0.411 1.00 0.00 C ATOM 329 NE ARG A 20 15.000 7.047 1.862 1.00 0.00 N ATOM 330 CZ ARG A 20 14.714 6.072 2.722 1.00 0.00 C ATOM 331 NH1 ARG A 20 14.406 4.858 2.282 1.00 0.00 N ATOM 332 NH2 ARG A 20 14.734 6.311 4.026 1.00 0.00 N ATOM 0 H ARG A 20 13.930 7.821 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 20 15.282 6.099 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.906 8.162 -1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.459 7.195 -1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.890 7.242 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.325 5.634 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.621 6.017 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.464 7.751 -0.054 1.00 0.00 H new ATOM 0 HE ARG A 20 15.229 7.967 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.388 4.668 1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.188 4.115 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.969 7.242 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.515 5.564 4.685 1.00 0.00 H new ATOM 346 N PRO A 21 14.211 3.839 -2.047 1.00 0.00 N ATOM 347 CA PRO A 21 13.677 2.485 -2.028 1.00 0.00 C ATOM 348 C PRO A 21 12.858 2.193 -0.773 1.00 0.00 C ATOM 349 O PRO A 21 13.405 2.069 0.322 1.00 0.00 O ATOM 350 CB PRO A 21 14.945 1.624 -2.045 1.00 0.00 C ATOM 351 CG PRO A 21 16.056 2.500 -1.538 1.00 0.00 C ATOM 352 CD PRO A 21 15.500 3.892 -1.351 1.00 0.00 C ATOM 0 HA PRO A 21 12.994 2.301 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.825 0.743 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.160 1.268 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.446 2.115 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.885 2.512 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.377 4.137 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.157 4.648 -1.780 1.00 0.00 H new ATOM 360 N PHE A 22 11.543 2.081 -0.940 1.00 0.00 N ATOM 361 CA PHE A 22 10.651 1.802 0.180 1.00 0.00 C ATOM 362 C PHE A 22 10.255 0.325 0.219 1.00 0.00 C ATOM 363 O PHE A 22 10.833 -0.463 0.967 1.00 0.00 O ATOM 364 CB PHE A 22 9.404 2.689 0.095 1.00 0.00 C ATOM 365 CG PHE A 22 8.370 2.385 1.143 1.00 0.00 C ATOM 366 CD1 PHE A 22 8.645 2.590 2.486 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.126 1.894 0.785 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.697 2.312 3.451 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.174 1.613 1.746 1.00 0.00 C ATOM 370 CZ PHE A 22 6.460 1.822 3.081 1.00 0.00 C ATOM 0 H PHE A 22 11.072 2.179 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 22 11.184 2.028 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.705 3.733 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.954 2.573 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.611 2.971 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.897 1.729 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.923 2.478 4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.207 1.230 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.718 1.603 3.834 1.00 0.00 H new ATOM 380 N VAL A 23 9.262 -0.042 -0.588 1.00 0.00 N ATOM 381 CA VAL A 23 8.783 -1.420 -0.643 1.00 0.00 C ATOM 382 C VAL A 23 9.787 -2.336 -1.338 1.00 0.00 C ATOM 383 O VAL A 23 9.624 -3.557 -1.334 1.00 0.00 O ATOM 384 CB VAL A 23 7.419 -1.503 -1.359 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.476 -0.789 -2.698 1.00 0.00 C ATOM 386 CG2 VAL A 23 6.977 -2.951 -1.533 1.00 0.00 C ATOM 0 H VAL A 23 8.773 0.598 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 23 8.664 -1.759 0.386 1.00 0.00 H new ATOM 0 HB VAL A 23 6.678 -1.003 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.505 -0.858 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.730 0.259 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.234 -1.255 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.013 -2.979 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.716 -3.488 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.886 -3.424 -0.555 1.00 0.00 H new ATOM 396 N ASP A 24 10.836 -1.756 -1.918 1.00 0.00 N ATOM 397 CA ASP A 24 11.856 -2.552 -2.590 1.00 0.00 C ATOM 398 C ASP A 24 12.343 -3.664 -1.666 1.00 0.00 C ATOM 399 O ASP A 24 12.764 -4.727 -2.123 1.00 0.00 O ATOM 400 CB ASP A 24 13.027 -1.664 -3.031 1.00 0.00 C ATOM 401 CG ASP A 24 14.050 -1.442 -1.932 1.00 0.00 C ATOM 402 OD1 ASP A 24 13.639 -1.151 -0.789 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.261 -1.558 -2.216 1.00 0.00 O ATOM 0 H ASP A 24 11.000 -0.749 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 24 11.419 -3.004 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.518 -2.120 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.640 -0.699 -3.360 1.00 0.00 H new ATOM 408 N TYR A 25 12.266 -3.411 -0.361 1.00 0.00 N ATOM 409 CA TYR A 25 12.681 -4.390 0.632 1.00 0.00 C ATOM 410 C TYR A 25 11.959 -5.712 0.395 1.00 0.00 C ATOM 411 O TYR A 25 12.540 -6.786 0.547 1.00 0.00 O ATOM 412 CB TYR A 25 12.402 -3.866 2.047 1.00 0.00 C ATOM 413 CG TYR A 25 10.965 -4.028 2.493 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.947 -3.297 1.896 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.628 -4.913 3.510 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.632 -3.444 2.299 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.317 -5.064 3.919 1.00 0.00 C ATOM 418 CZ TYR A 25 8.323 -4.328 3.310 1.00 0.00 C ATOM 419 OH TYR A 25 7.016 -4.478 3.714 1.00 0.00 O ATOM 0 H TYR A 25 11.919 -2.535 0.030 1.00 0.00 H new ATOM 0 HA TYR A 25 13.754 -4.558 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.051 -4.388 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.668 -2.810 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.186 -2.602 1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.404 -5.492 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.851 -2.869 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.072 -5.755 4.712 1.00 0.00 H new ATOM 0 HH TYR A 25 6.970 -5.140 4.435 1.00 0.00 H new ATOM 429 N LYS A 26 10.687 -5.624 0.003 1.00 0.00 N ATOM 430 CA LYS A 26 9.895 -6.818 -0.272 1.00 0.00 C ATOM 431 C LYS A 26 10.621 -7.718 -1.266 1.00 0.00 C ATOM 432 O LYS A 26 10.703 -8.931 -1.075 1.00 0.00 O ATOM 433 CB LYS A 26 8.516 -6.438 -0.813 1.00 0.00 C ATOM 434 CG LYS A 26 7.401 -7.362 -0.344 1.00 0.00 C ATOM 435 CD LYS A 26 6.471 -7.744 -1.485 1.00 0.00 C ATOM 436 CE LYS A 26 5.968 -9.170 -1.342 1.00 0.00 C ATOM 437 NZ LYS A 26 5.190 -9.361 -0.086 1.00 0.00 N ATOM 0 H LYS A 26 10.188 -4.744 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 26 9.761 -7.363 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.284 -5.418 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.548 -6.445 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.834 -8.263 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.829 -6.872 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.623 -7.059 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.995 -7.636 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.343 -9.422 -2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.815 -9.856 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.350 -10.322 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.499 -8.666 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.177 -9.229 -0.282 1.00 0.00 H new ATOM 451 N ALA A 27 11.167 -7.113 -2.318 1.00 0.00 N ATOM 452 CA ALA A 27 11.908 -7.865 -3.321 1.00 0.00 C ATOM 453 C ALA A 27 13.098 -8.565 -2.673 1.00 0.00 C ATOM 454 O ALA A 27 13.550 -9.612 -3.138 1.00 0.00 O ATOM 455 CB ALA A 27 12.375 -6.948 -4.442 1.00 0.00 C ATOM 0 H ALA A 27 11.110 -6.110 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 27 11.248 -8.618 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.927 -7.529 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.510 -6.484 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.023 -6.173 -4.032 1.00 0.00 H new ATOM 461 N GLY A 28 13.591 -7.976 -1.586 1.00 0.00 N ATOM 462 CA GLY A 28 14.716 -8.545 -0.871 1.00 0.00 C ATOM 463 C GLY A 28 14.372 -8.867 0.572 1.00 0.00 C ATOM 464 O GLY A 28 15.227 -8.782 1.454 1.00 0.00 O ATOM 0 H GLY A 28 13.227 -7.110 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.044 -9.453 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.552 -7.846 -0.897 1.00 0.00 H new ATOM 468 N LEU A 29 13.116 -9.237 0.810 1.00 0.00 N ATOM 469 CA LEU A 29 12.644 -9.576 2.148 1.00 0.00 C ATOM 470 C LEU A 29 13.216 -10.914 2.606 1.00 0.00 C ATOM 471 O LEU A 29 12.479 -11.810 3.018 1.00 0.00 O ATOM 472 CB LEU A 29 11.113 -9.624 2.172 1.00 0.00 C ATOM 473 CG LEU A 29 10.491 -9.859 3.552 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.453 -8.791 3.861 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.868 -11.247 3.632 1.00 0.00 C ATOM 0 H LEU A 29 12.402 -9.310 0.085 1.00 0.00 H new ATOM 0 HA LEU A 29 12.988 -8.803 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.729 -8.685 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.779 -10.415 1.501 1.00 0.00 H new ATOM 0 HG LEU A 29 11.283 -9.795 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.023 -8.976 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.927 -7.809 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.665 -8.822 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.432 -11.394 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.090 -11.341 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.636 -12.001 3.459 1.00 0.00 H new ATOM 487 N GLU A 30 14.538 -11.032 2.529 1.00 0.00 N ATOM 488 CA GLU A 30 15.249 -12.247 2.932 1.00 0.00 C ATOM 489 C GLU A 30 15.294 -13.266 1.796 1.00 0.00 C ATOM 490 O GLU A 30 14.766 -14.371 1.915 1.00 0.00 O ATOM 491 CB GLU A 30 14.610 -12.870 4.179 1.00 0.00 C ATOM 492 CG GLU A 30 15.624 -13.362 5.200 1.00 0.00 C ATOM 493 CD GLU A 30 15.313 -12.887 6.606 1.00 0.00 C ATOM 494 OE1 GLU A 30 14.716 -11.800 6.748 1.00 0.00 O ATOM 495 OE2 GLU A 30 15.667 -13.603 7.567 1.00 0.00 O ATOM 0 H GLU A 30 15.149 -10.290 2.186 1.00 0.00 H new ATOM 0 HA GLU A 30 16.273 -11.961 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.960 -12.133 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.978 -13.705 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.649 -14.452 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.618 -13.017 4.915 1.00 0.00 H new ATOM 502 N LYS A 31 15.938 -12.886 0.697 1.00 0.00 N ATOM 503 CA LYS A 31 16.064 -13.763 -0.460 1.00 0.00 C ATOM 504 C LYS A 31 14.696 -14.119 -1.030 1.00 0.00 C ATOM 505 O LYS A 31 14.420 -15.280 -1.335 1.00 0.00 O ATOM 506 CB LYS A 31 16.822 -15.037 -0.081 1.00 0.00 C ATOM 507 CG LYS A 31 17.450 -15.747 -1.269 1.00 0.00 C ATOM 508 CD LYS A 31 18.364 -14.820 -2.054 1.00 0.00 C ATOM 509 CE LYS A 31 19.559 -15.566 -2.625 1.00 0.00 C ATOM 510 NZ LYS A 31 19.143 -16.675 -3.526 1.00 0.00 N ATOM 0 H LYS A 31 16.381 -11.974 0.584 1.00 0.00 H new ATOM 0 HA LYS A 31 16.625 -13.230 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.604 -14.785 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.138 -15.721 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.018 -16.609 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.665 -16.126 -1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.803 -14.355 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.712 -14.016 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.192 -14.870 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.160 -15.967 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.978 -17.059 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.692 -17.426 -2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.468 -16.315 -4.231 1.00 0.00 H new ATOM 524 N LYS A 32 13.845 -13.111 -1.177 1.00 0.00 N ATOM 525 CA LYS A 32 12.507 -13.315 -1.718 1.00 0.00 C ATOM 526 C LYS A 32 12.581 -13.760 -3.174 1.00 0.00 C ATOM 527 O LYS A 32 12.212 -14.885 -3.512 1.00 0.00 O ATOM 528 CB LYS A 32 11.684 -12.029 -1.601 1.00 0.00 C ATOM 529 CG LYS A 32 10.308 -12.120 -2.243 1.00 0.00 C ATOM 530 CD LYS A 32 9.522 -13.312 -1.718 1.00 0.00 C ATOM 531 CE LYS A 32 8.294 -13.588 -2.570 1.00 0.00 C ATOM 532 NZ LYS A 32 7.524 -12.346 -2.853 1.00 0.00 N ATOM 0 H LYS A 32 14.057 -12.145 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 32 12.018 -14.099 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.567 -11.778 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.237 -11.211 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.753 -11.203 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.415 -12.202 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.162 -14.194 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.217 -13.123 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.600 -14.047 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.651 -14.305 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.592 -12.596 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.400 -11.806 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.042 -11.766 -3.544 1.00 0.00 H new ATOM 546 N LYS A 33 13.064 -12.868 -4.032 1.00 0.00 N ATOM 547 CA LYS A 33 13.193 -13.160 -5.455 1.00 0.00 C ATOM 548 C LYS A 33 13.844 -11.991 -6.185 1.00 0.00 C ATOM 549 O LYS A 33 13.352 -10.864 -6.136 1.00 0.00 O ATOM 550 CB LYS A 33 11.822 -13.461 -6.064 1.00 0.00 C ATOM 551 CG LYS A 33 11.893 -14.027 -7.475 1.00 0.00 C ATOM 552 CD LYS A 33 11.587 -15.516 -7.497 1.00 0.00 C ATOM 553 CE LYS A 33 11.054 -15.954 -8.852 1.00 0.00 C ATOM 554 NZ LYS A 33 12.145 -16.126 -9.850 1.00 0.00 N ATOM 0 H LYS A 33 13.374 -11.933 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 33 13.828 -14.038 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.297 -14.169 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.231 -12.545 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.185 -13.500 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.887 -13.853 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.491 -16.078 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.855 -15.750 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.512 -16.893 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.341 -15.215 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.910 -15.599 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.037 -15.764 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.252 -17.135 -10.077 1.00 0.00 H new ATOM 568 N LEU A 34 14.956 -12.265 -6.861 1.00 0.00 N ATOM 569 CA LEU A 34 15.672 -11.230 -7.600 1.00 0.00 C ATOM 570 C LEU A 34 15.490 -11.410 -9.100 1.00 0.00 C ATOM 571 O LEU A 34 16.435 -11.269 -9.877 1.00 0.00 O ATOM 572 CB LEU A 34 17.164 -11.251 -7.245 1.00 0.00 C ATOM 573 CG LEU A 34 17.490 -11.587 -5.787 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.587 -10.812 -4.838 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.366 -13.083 -5.544 1.00 0.00 C ATOM 0 H LEU A 34 15.380 -13.191 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 34 15.256 -10.264 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.662 -11.977 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.589 -10.275 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 34 18.521 -11.291 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.837 -11.067 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.730 -9.742 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.546 -11.071 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.601 -13.303 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.347 -13.404 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.061 -13.616 -6.193 1.00 0.00 H new ATOM 587 N SER A 35 14.263 -11.717 -9.502 1.00 0.00 N ATOM 588 CA SER A 35 13.945 -11.910 -10.910 1.00 0.00 C ATOM 589 C SER A 35 13.280 -10.664 -11.483 1.00 0.00 C ATOM 590 O SER A 35 12.068 -10.495 -11.367 1.00 0.00 O ATOM 591 CB SER A 35 13.028 -13.120 -11.088 1.00 0.00 C ATOM 592 OG SER A 35 12.793 -13.387 -12.459 1.00 0.00 O ATOM 0 H SER A 35 13.471 -11.838 -8.871 1.00 0.00 H new ATOM 0 HA SER A 35 14.875 -12.090 -11.449 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.478 -13.994 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.080 -12.938 -10.582 1.00 0.00 H new ATOM 0 HG SER A 35 12.205 -14.166 -12.544 1.00 0.00 H new ATOM 598 N ASP A 36 14.080 -9.794 -12.095 1.00 0.00 N ATOM 599 CA ASP A 36 13.567 -8.559 -12.682 1.00 0.00 C ATOM 600 C ASP A 36 12.425 -8.849 -13.654 1.00 0.00 C ATOM 601 O ASP A 36 12.632 -8.943 -14.863 1.00 0.00 O ATOM 602 CB ASP A 36 14.687 -7.808 -13.401 1.00 0.00 C ATOM 603 CG ASP A 36 15.938 -7.683 -12.553 1.00 0.00 C ATOM 604 OD1 ASP A 36 16.729 -8.648 -12.514 1.00 0.00 O ATOM 605 OD2 ASP A 36 16.126 -6.618 -11.927 1.00 0.00 O ATOM 0 H ASP A 36 15.087 -9.922 -12.197 1.00 0.00 H new ATOM 0 HA ASP A 36 13.182 -7.936 -11.875 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.931 -8.326 -14.329 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.336 -6.813 -13.674 1.00 0.00 H new ATOM 610 N ASP A 37 11.221 -8.995 -13.111 1.00 0.00 N ATOM 611 CA ASP A 37 10.042 -9.280 -13.919 1.00 0.00 C ATOM 612 C ASP A 37 8.769 -9.161 -13.086 1.00 0.00 C ATOM 613 O ASP A 37 7.746 -8.674 -13.567 1.00 0.00 O ATOM 614 CB ASP A 37 10.139 -10.681 -14.525 1.00 0.00 C ATOM 615 CG ASP A 37 10.758 -10.673 -15.908 1.00 0.00 C ATOM 616 OD1 ASP A 37 10.438 -9.758 -16.696 1.00 0.00 O ATOM 617 OD2 ASP A 37 11.563 -11.581 -16.204 1.00 0.00 O ATOM 0 H ASP A 37 11.036 -8.920 -12.111 1.00 0.00 H new ATOM 0 HA ASP A 37 9.998 -8.546 -14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.733 -11.317 -13.868 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.143 -11.120 -14.579 1.00 0.00 H new ATOM 622 N ASP A 38 8.837 -9.612 -11.833 1.00 0.00 N ATOM 623 CA ASP A 38 7.687 -9.560 -10.931 1.00 0.00 C ATOM 624 C ASP A 38 6.998 -8.198 -10.993 1.00 0.00 C ATOM 625 O ASP A 38 7.655 -7.161 -11.075 1.00 0.00 O ATOM 626 CB ASP A 38 8.129 -9.861 -9.497 1.00 0.00 C ATOM 627 CG ASP A 38 7.363 -11.018 -8.886 1.00 0.00 C ATOM 628 OD1 ASP A 38 7.124 -12.014 -9.600 1.00 0.00 O ATOM 629 OD2 ASP A 38 7.003 -10.928 -7.693 1.00 0.00 O ATOM 0 H ASP A 38 9.677 -10.017 -11.420 1.00 0.00 H new ATOM 0 HA ASP A 38 6.971 -10.317 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.195 -10.090 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.989 -8.972 -8.883 1.00 0.00 H new ATOM 634 N GLU A 39 5.669 -8.212 -10.959 1.00 0.00 N ATOM 635 CA GLU A 39 4.890 -6.979 -11.019 1.00 0.00 C ATOM 636 C GLU A 39 4.414 -6.557 -9.633 1.00 0.00 C ATOM 637 O GLU A 39 3.899 -7.369 -8.866 1.00 0.00 O ATOM 638 CB GLU A 39 3.690 -7.157 -11.949 1.00 0.00 C ATOM 639 CG GLU A 39 3.314 -5.894 -12.706 1.00 0.00 C ATOM 640 CD GLU A 39 3.981 -5.808 -14.065 1.00 0.00 C ATOM 641 OE1 GLU A 39 5.223 -5.684 -14.111 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.261 -5.867 -15.084 1.00 0.00 O ATOM 0 H GLU A 39 5.109 -9.062 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 39 5.536 -6.194 -11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.911 -7.948 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.833 -7.488 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.232 -5.860 -12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.593 -5.023 -12.113 1.00 0.00 H new ATOM 649 N ILE A 40 4.587 -5.275 -9.323 1.00 0.00 N ATOM 650 CA ILE A 40 4.172 -4.732 -8.035 1.00 0.00 C ATOM 651 C ILE A 40 3.736 -3.278 -8.175 1.00 0.00 C ATOM 652 O ILE A 40 4.479 -2.445 -8.695 1.00 0.00 O ATOM 653 CB ILE A 40 5.306 -4.818 -6.994 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.892 -6.230 -6.959 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.793 -4.416 -5.618 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.032 -6.387 -5.976 1.00 0.00 C ATOM 0 H ILE A 40 5.013 -4.592 -9.949 1.00 0.00 H new ATOM 0 HA ILE A 40 3.331 -5.334 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 40 6.097 -4.126 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.102 -6.936 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.244 -6.493 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.605 -4.482 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.420 -3.392 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.986 -5.086 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.398 -7.413 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.840 -5.706 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.680 -6.155 -4.971 1.00 0.00 H new ATOM 668 N ALA A 41 2.527 -2.977 -7.715 1.00 0.00 N ATOM 669 CA ALA A 41 1.996 -1.622 -7.797 1.00 0.00 C ATOM 670 C ALA A 41 1.561 -1.110 -6.427 1.00 0.00 C ATOM 671 O ALA A 41 1.019 -1.859 -5.615 1.00 0.00 O ATOM 672 CB ALA A 41 0.833 -1.571 -8.777 1.00 0.00 C ATOM 0 H ALA A 41 1.897 -3.652 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 41 2.792 -0.971 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.445 -0.554 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.176 -1.880 -9.765 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.044 -2.243 -8.440 1.00 0.00 H new ATOM 678 N ILE A 42 1.799 0.175 -6.182 1.00 0.00 N ATOM 679 CA ILE A 42 1.431 0.797 -4.915 1.00 0.00 C ATOM 680 C ILE A 42 0.508 1.988 -5.145 1.00 0.00 C ATOM 681 O ILE A 42 0.750 2.811 -6.030 1.00 0.00 O ATOM 682 CB ILE A 42 2.675 1.265 -4.135 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.702 0.136 -4.039 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.281 1.749 -2.747 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.721 0.147 -5.158 1.00 0.00 C ATOM 0 H ILE A 42 2.246 0.807 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 42 0.910 0.042 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 42 3.128 2.097 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.223 0.210 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.179 -0.821 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.171 2.076 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.584 2.583 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.805 0.936 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.417 -0.681 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.211 0.042 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.270 1.088 -5.141 1.00 0.00 H new ATOM 697 N ILE A 43 -0.555 2.075 -4.351 1.00 0.00 N ATOM 698 CA ILE A 43 -1.513 3.167 -4.479 1.00 0.00 C ATOM 699 C ILE A 43 -1.962 3.681 -3.115 1.00 0.00 C ATOM 700 O ILE A 43 -1.913 2.959 -2.120 1.00 0.00 O ATOM 701 CB ILE A 43 -2.755 2.733 -5.280 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.420 1.527 -4.614 1.00 0.00 C ATOM 703 CG2 ILE A 43 -2.375 2.409 -6.717 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.821 1.255 -5.116 1.00 0.00 C ATOM 0 H ILE A 43 -0.774 1.404 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.001 3.968 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.467 3.558 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.804 0.644 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.454 1.690 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.264 2.104 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.942 3.292 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.646 1.598 -6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.230 0.386 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.452 2.123 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.792 1.060 -6.188 1.00 0.00 H new ATOM 716 N SER A 44 -2.409 4.933 -3.083 1.00 0.00 N ATOM 717 CA SER A 44 -2.877 5.551 -1.848 1.00 0.00 C ATOM 718 C SER A 44 -4.339 5.967 -1.980 1.00 0.00 C ATOM 719 O SER A 44 -4.880 6.015 -3.086 1.00 0.00 O ATOM 720 CB SER A 44 -2.017 6.767 -1.500 1.00 0.00 C ATOM 721 OG SER A 44 -1.976 6.979 -0.100 1.00 0.00 O ATOM 0 H SER A 44 -2.457 5.540 -3.901 1.00 0.00 H new ATOM 0 HA SER A 44 -2.792 4.819 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.005 6.621 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.417 7.653 -1.993 1.00 0.00 H new ATOM 0 HG SER A 44 -2.157 6.135 0.364 1.00 0.00 H new ATOM 727 N ILE A 45 -4.977 6.265 -0.852 1.00 0.00 N ATOM 728 CA ILE A 45 -6.379 6.673 -0.860 1.00 0.00 C ATOM 729 C ILE A 45 -6.691 7.629 0.287 1.00 0.00 C ATOM 730 O ILE A 45 -7.737 7.524 0.929 1.00 0.00 O ATOM 731 CB ILE A 45 -7.320 5.454 -0.767 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.836 4.486 0.315 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.414 4.753 -2.113 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.751 3.296 0.515 1.00 0.00 C ATOM 0 H ILE A 45 -4.550 6.232 0.074 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.548 7.186 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.315 5.803 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.840 4.128 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.743 5.025 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.082 3.895 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.804 5.446 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.424 4.414 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.346 2.653 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.741 3.644 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.825 2.734 -0.416 1.00 0.00 H new ATOM 746 N LYS A 46 -5.782 8.565 0.537 1.00 0.00 N ATOM 747 CA LYS A 46 -5.966 9.543 1.605 1.00 0.00 C ATOM 748 C LYS A 46 -6.280 8.856 2.933 1.00 0.00 C ATOM 749 O LYS A 46 -6.906 9.446 3.814 1.00 0.00 O ATOM 750 CB LYS A 46 -7.092 10.516 1.242 1.00 0.00 C ATOM 751 CG LYS A 46 -6.707 11.978 1.397 1.00 0.00 C ATOM 752 CD LYS A 46 -6.444 12.333 2.851 1.00 0.00 C ATOM 753 CE LYS A 46 -5.622 13.606 2.976 1.00 0.00 C ATOM 754 NZ LYS A 46 -6.441 14.751 3.460 1.00 0.00 N ATOM 0 H LYS A 46 -4.911 8.668 0.016 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.034 10.097 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.397 10.337 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.957 10.308 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.817 12.186 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.505 12.609 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.393 12.459 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.919 11.511 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.793 13.437 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.188 13.854 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.844 15.599 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.217 14.930 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.835 14.525 4.396 1.00 0.00 H new ATOM 768 N GLY A 47 -5.841 7.608 3.070 1.00 0.00 N ATOM 769 CA GLY A 47 -6.085 6.867 4.293 1.00 0.00 C ATOM 770 C GLY A 47 -5.323 7.436 5.472 1.00 0.00 C ATOM 771 O GLY A 47 -4.339 6.852 5.923 1.00 0.00 O ATOM 0 H GLY A 47 -5.321 7.098 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.152 6.877 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.799 5.825 4.147 1.00 0.00 H new ATOM 775 N THR A 48 -5.779 8.585 5.967 1.00 0.00 N ATOM 776 CA THR A 48 -5.139 9.249 7.100 1.00 0.00 C ATOM 777 C THR A 48 -3.770 9.798 6.703 1.00 0.00 C ATOM 778 O THR A 48 -3.548 11.009 6.728 1.00 0.00 O ATOM 779 CB THR A 48 -5.006 8.293 8.295 1.00 0.00 C ATOM 780 OG1 THR A 48 -3.822 7.521 8.203 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.169 7.333 8.429 1.00 0.00 C ATOM 0 H THR A 48 -6.593 9.077 5.599 1.00 0.00 H new ATOM 0 HA THR A 48 -5.773 10.084 7.400 1.00 0.00 H new ATOM 0 HB THR A 48 -4.984 8.940 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.959 6.786 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.010 6.687 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.092 7.897 8.562 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.243 6.723 7.529 1.00 0.00 H new ATOM 789 N GLN A 49 -2.857 8.904 6.336 1.00 0.00 N ATOM 790 CA GLN A 49 -1.513 9.300 5.931 1.00 0.00 C ATOM 791 C GLN A 49 -0.668 8.077 5.580 1.00 0.00 C ATOM 792 O GLN A 49 0.372 7.831 6.193 1.00 0.00 O ATOM 793 CB GLN A 49 -0.835 10.102 7.047 1.00 0.00 C ATOM 794 CG GLN A 49 0.030 11.243 6.536 1.00 0.00 C ATOM 795 CD GLN A 49 1.248 11.486 7.406 1.00 0.00 C ATOM 796 OE1 GLN A 49 1.491 10.760 8.369 1.00 0.00 O ATOM 797 NE2 GLN A 49 2.019 12.512 7.069 1.00 0.00 N ATOM 0 H GLN A 49 -3.024 7.898 6.311 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.598 9.927 5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.601 10.506 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.219 9.429 7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.353 11.022 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.567 12.154 6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.778 13.087 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.852 12.725 7.617 1.00 0.00 H new ATOM 806 N SER A 50 -1.121 7.313 4.591 1.00 0.00 N ATOM 807 CA SER A 50 -0.401 6.117 4.164 1.00 0.00 C ATOM 808 C SER A 50 -0.983 5.563 2.868 1.00 0.00 C ATOM 809 O SER A 50 -1.868 6.168 2.264 1.00 0.00 O ATOM 810 CB SER A 50 -0.456 5.048 5.258 1.00 0.00 C ATOM 811 OG SER A 50 -1.734 4.439 5.313 1.00 0.00 O ATOM 0 H SER A 50 -1.979 7.499 4.072 1.00 0.00 H new ATOM 0 HA SER A 50 0.638 6.394 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.304 4.290 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.223 5.498 6.223 1.00 0.00 H new ATOM 0 HG SER A 50 -1.742 3.759 6.019 1.00 0.00 H new ATOM 817 N ASN A 51 -0.478 4.409 2.447 1.00 0.00 N ATOM 818 CA ASN A 51 -0.944 3.770 1.222 1.00 0.00 C ATOM 819 C ASN A 51 -0.874 2.251 1.339 1.00 0.00 C ATOM 820 O ASN A 51 -0.226 1.717 2.239 1.00 0.00 O ATOM 821 CB ASN A 51 -0.116 4.240 0.023 1.00 0.00 C ATOM 822 CG ASN A 51 1.360 4.384 0.351 1.00 0.00 C ATOM 823 OD1 ASN A 51 1.895 5.492 0.380 1.00 0.00 O ATOM 824 ND2 ASN A 51 2.024 3.261 0.600 1.00 0.00 N ATOM 0 H ASN A 51 0.255 3.896 2.937 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.984 4.058 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.235 3.530 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.502 5.198 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.018 3.296 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.540 2.364 0.565 1.00 0.00 H new ATOM 831 N HIS A 52 -1.546 1.562 0.422 1.00 0.00 N ATOM 832 CA HIS A 52 -1.561 0.103 0.422 1.00 0.00 C ATOM 833 C HIS A 52 -0.850 -0.448 -0.810 1.00 0.00 C ATOM 834 O HIS A 52 -1.061 0.027 -1.926 1.00 0.00 O ATOM 835 CB HIS A 52 -3.002 -0.412 0.467 1.00 0.00 C ATOM 836 CG HIS A 52 -3.811 0.169 1.585 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.160 1.502 1.649 1.00 0.00 N ATOM 838 CD2 HIS A 52 -4.340 -0.411 2.689 1.00 0.00 C ATOM 839 CE1 HIS A 52 -4.870 1.716 2.744 1.00 0.00 C ATOM 840 NE2 HIS A 52 -4.993 0.572 3.390 1.00 0.00 N ATOM 0 H HIS A 52 -2.087 1.990 -0.330 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.031 -0.242 1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.490 -0.184 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.988 -1.497 0.565 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.262 -1.452 2.966 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.279 2.665 3.056 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.493 0.439 4.269 1.00 0.00 H new ATOM 849 N VAL A 53 -0.007 -1.454 -0.600 1.00 0.00 N ATOM 850 CA VAL A 53 0.735 -2.071 -1.692 1.00 0.00 C ATOM 851 C VAL A 53 0.085 -3.380 -2.127 1.00 0.00 C ATOM 852 O VAL A 53 -0.185 -4.255 -1.303 1.00 0.00 O ATOM 853 CB VAL A 53 2.201 -2.338 -1.297 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.277 -3.314 -0.132 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.991 -2.856 -2.490 1.00 0.00 C ATOM 0 H VAL A 53 0.179 -1.859 0.317 1.00 0.00 H new ATOM 0 HA VAL A 53 0.717 -1.368 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 53 2.646 -1.396 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.321 -3.488 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.752 -2.897 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.813 -4.258 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.023 -3.039 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.546 -3.786 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.970 -2.115 -3.289 1.00 0.00 H new ATOM 865 N LEU A 54 -0.165 -3.508 -3.426 1.00 0.00 N ATOM 866 CA LEU A 54 -0.783 -4.712 -3.972 1.00 0.00 C ATOM 867 C LEU A 54 0.060 -5.290 -5.103 1.00 0.00 C ATOM 868 O LEU A 54 0.506 -4.566 -5.991 1.00 0.00 O ATOM 869 CB LEU A 54 -2.194 -4.402 -4.478 1.00 0.00 C ATOM 870 CG LEU A 54 -3.088 -3.649 -3.491 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.055 -2.740 -4.233 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.846 -4.627 -2.606 1.00 0.00 C ATOM 0 H LEU A 54 0.051 -2.793 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.845 -5.452 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.114 -3.814 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.682 -5.340 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.454 -3.030 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.683 -2.213 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.493 -2.016 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.683 -3.338 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.477 -4.074 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.468 -5.272 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.136 -5.237 -2.047 1.00 0.00 H new ATOM 884 N PHE A 55 0.272 -6.602 -5.063 1.00 0.00 N ATOM 885 CA PHE A 55 1.061 -7.278 -6.086 1.00 0.00 C ATOM 886 C PHE A 55 0.166 -7.762 -7.223 1.00 0.00 C ATOM 887 O PHE A 55 -0.885 -8.359 -6.985 1.00 0.00 O ATOM 888 CB PHE A 55 1.826 -8.463 -5.484 1.00 0.00 C ATOM 889 CG PHE A 55 2.146 -8.305 -4.024 1.00 0.00 C ATOM 890 CD1 PHE A 55 2.789 -7.167 -3.562 1.00 0.00 C ATOM 891 CD2 PHE A 55 1.803 -9.292 -3.114 1.00 0.00 C ATOM 892 CE1 PHE A 55 3.084 -7.018 -2.220 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.096 -9.149 -1.772 1.00 0.00 C ATOM 894 CZ PHE A 55 2.738 -8.011 -1.324 1.00 0.00 C ATOM 0 H PHE A 55 -0.091 -7.217 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 55 1.780 -6.562 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.237 -9.370 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.755 -8.601 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.062 -6.388 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.300 -10.184 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.584 -6.126 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.823 -9.926 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.969 -7.898 -0.275 1.00 0.00 H new ATOM 904 N LEU A 56 0.586 -7.501 -8.455 1.00 0.00 N ATOM 905 CA LEU A 56 -0.182 -7.911 -9.625 1.00 0.00 C ATOM 906 C LEU A 56 0.274 -9.278 -10.125 1.00 0.00 C ATOM 907 O LEU A 56 1.030 -9.377 -11.091 1.00 0.00 O ATOM 908 CB LEU A 56 -0.049 -6.874 -10.742 1.00 0.00 C ATOM 909 CG LEU A 56 -0.164 -5.418 -10.289 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.210 -4.475 -11.422 1.00 0.00 C ATOM 911 CD2 LEU A 56 -1.572 -5.125 -9.792 1.00 0.00 C ATOM 0 H LEU A 56 1.453 -7.008 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.229 -7.983 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.915 -7.011 -11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.817 -7.068 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 56 0.532 -5.257 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.122 -3.443 -11.081 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.237 -4.668 -11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.461 -4.636 -12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.636 -4.085 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.286 -5.303 -10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.804 -5.777 -8.950 1.00 0.00 H new ATOM 923 N SER A 57 -0.192 -10.329 -9.459 1.00 0.00 N ATOM 924 CA SER A 57 0.166 -11.692 -9.834 1.00 0.00 C ATOM 925 C SER A 57 -0.586 -12.126 -11.089 1.00 0.00 C ATOM 926 O SER A 57 -0.015 -12.190 -12.177 1.00 0.00 O ATOM 927 CB SER A 57 -0.134 -12.654 -8.682 1.00 0.00 C ATOM 928 OG SER A 57 1.062 -13.134 -8.094 1.00 0.00 O ATOM 0 H SER A 57 -0.818 -10.263 -8.657 1.00 0.00 H new ATOM 0 HA SER A 57 1.234 -11.717 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.736 -12.147 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.725 -13.493 -9.049 1.00 0.00 H new ATOM 0 HG SER A 57 0.843 -13.745 -7.360 1.00 0.00 H new ATOM 934 N SER A 58 -1.872 -12.425 -10.929 1.00 0.00 N ATOM 935 CA SER A 58 -2.701 -12.854 -12.049 1.00 0.00 C ATOM 936 C SER A 58 -3.114 -11.663 -12.909 1.00 0.00 C ATOM 937 O SER A 58 -4.254 -11.203 -12.843 1.00 0.00 O ATOM 938 CB SER A 58 -3.944 -13.586 -11.539 1.00 0.00 C ATOM 939 OG SER A 58 -3.705 -14.175 -10.274 1.00 0.00 O ATOM 0 H SER A 58 -2.361 -12.378 -10.035 1.00 0.00 H new ATOM 0 HA SER A 58 -2.113 -13.535 -12.664 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.777 -12.887 -11.467 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.235 -14.356 -12.253 1.00 0.00 H new ATOM 0 HG SER A 58 -4.515 -14.635 -9.969 1.00 0.00 H new ATOM 945 N TYR A 59 -2.179 -11.168 -13.713 1.00 0.00 N ATOM 946 CA TYR A 59 -2.446 -10.032 -14.587 1.00 0.00 C ATOM 947 C TYR A 59 -2.077 -10.357 -16.031 1.00 0.00 C ATOM 948 O TYR A 59 -0.923 -10.218 -16.434 1.00 0.00 O ATOM 949 CB TYR A 59 -1.669 -8.802 -14.110 1.00 0.00 C ATOM 950 CG TYR A 59 -2.535 -7.580 -13.908 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.157 -7.340 -12.689 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.733 -6.667 -14.937 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.952 -6.225 -12.502 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.525 -5.550 -14.757 1.00 0.00 C ATOM 955 CZ TYR A 59 -4.133 -5.333 -13.539 1.00 0.00 C ATOM 956 OH TYR A 59 -4.923 -4.221 -13.355 1.00 0.00 O ATOM 0 H TYR A 59 -1.230 -11.536 -13.777 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.514 -9.816 -14.546 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.168 -9.041 -13.172 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.891 -8.570 -14.837 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.017 -8.036 -11.875 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.260 -6.834 -15.893 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.429 -6.053 -11.549 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.667 -4.850 -15.567 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.825 -4.500 -13.092 1.00 0.00 H new ATOM 966 N ASN A 60 -3.066 -10.793 -16.804 1.00 0.00 N ATOM 967 CA ASN A 60 -2.846 -11.139 -18.204 1.00 0.00 C ATOM 968 C ASN A 60 -3.974 -10.607 -19.081 1.00 0.00 C ATOM 969 O ASN A 60 -3.750 -9.770 -19.957 1.00 0.00 O ATOM 970 CB ASN A 60 -2.734 -12.656 -18.363 1.00 0.00 C ATOM 971 CG ASN A 60 -1.560 -13.233 -17.596 1.00 0.00 C ATOM 972 OD1 ASN A 60 -0.479 -13.431 -18.151 1.00 0.00 O ATOM 973 ND2 ASN A 60 -1.768 -13.506 -16.314 1.00 0.00 N ATOM 0 H ASN A 60 -4.027 -10.915 -16.485 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.913 -10.676 -18.524 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.656 -13.124 -18.017 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.630 -12.901 -19.420 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.015 -13.896 -15.747 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.681 -13.326 -15.896 1.00 0.00 H new ATOM 980 N SER A 61 -5.186 -11.097 -18.841 1.00 0.00 N ATOM 981 CA SER A 61 -6.349 -10.670 -19.611 1.00 0.00 C ATOM 982 C SER A 61 -6.997 -9.440 -18.985 1.00 0.00 C ATOM 983 O SER A 61 -7.234 -9.396 -17.778 1.00 0.00 O ATOM 984 CB SER A 61 -7.370 -11.806 -19.703 1.00 0.00 C ATOM 985 OG SER A 61 -7.876 -12.142 -18.424 1.00 0.00 O ATOM 0 H SER A 61 -5.388 -11.790 -18.120 1.00 0.00 H new ATOM 0 HA SER A 61 -6.012 -10.409 -20.614 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.191 -11.509 -20.356 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.904 -12.682 -20.155 1.00 0.00 H new ATOM 0 HG SER A 61 -7.732 -11.393 -17.808 1.00 0.00 H new ATOM 991 N VAL A 62 -7.281 -8.441 -19.815 1.00 0.00 N ATOM 992 CA VAL A 62 -7.903 -7.208 -19.345 1.00 0.00 C ATOM 993 C VAL A 62 -9.274 -7.480 -18.736 1.00 0.00 C ATOM 994 O VAL A 62 -9.728 -8.624 -18.691 1.00 0.00 O ATOM 995 CB VAL A 62 -8.057 -6.187 -20.489 1.00 0.00 C ATOM 996 CG1 VAL A 62 -6.711 -5.573 -20.841 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.688 -6.841 -21.707 1.00 0.00 C ATOM 0 H VAL A 62 -7.090 -8.461 -20.817 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.245 -6.793 -18.581 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.718 -5.388 -20.152 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.839 -4.855 -21.651 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.303 -5.066 -19.967 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.025 -6.358 -21.158 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.789 -6.105 -22.504 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.056 -7.661 -22.048 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.673 -7.227 -21.443 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.931 -6.422 -18.270 1.00 0.00 N ATOM 1008 CA ASP A 63 -11.254 -6.541 -17.662 1.00 0.00 C ATOM 1009 C ASP A 63 -11.178 -7.262 -16.319 1.00 0.00 C ATOM 1010 O ASP A 63 -11.436 -6.670 -15.271 1.00 0.00 O ATOM 1011 CB ASP A 63 -12.211 -7.281 -18.603 1.00 0.00 C ATOM 1012 CG ASP A 63 -13.292 -6.375 -19.161 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -14.171 -5.950 -18.381 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.259 -6.090 -20.375 1.00 0.00 O ATOM 0 H ASP A 63 -9.568 -5.469 -18.302 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.635 -5.535 -17.489 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.643 -7.714 -19.427 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.676 -8.108 -18.067 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.825 -8.542 -16.358 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.717 -9.343 -15.144 1.00 0.00 C ATOM 1021 C GLU A 64 -9.627 -8.799 -14.228 1.00 0.00 C ATOM 1022 O GLU A 64 -9.698 -8.946 -13.008 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.423 -10.803 -15.496 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.464 -11.736 -14.297 1.00 0.00 C ATOM 1025 CD GLU A 64 -9.484 -12.887 -14.422 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -8.388 -12.674 -14.981 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -9.812 -13.999 -13.958 1.00 0.00 O ATOM 0 H GLU A 64 -10.609 -9.047 -17.217 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.669 -9.288 -14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.148 -11.143 -16.236 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.439 -10.865 -15.961 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.241 -11.170 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.473 -12.133 -14.184 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.617 -8.172 -14.823 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.511 -7.608 -14.059 1.00 0.00 C ATOM 1036 C ILE A 65 -7.730 -6.122 -13.791 1.00 0.00 C ATOM 1037 O ILE A 65 -7.418 -5.624 -12.709 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.169 -7.799 -14.792 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.180 -7.060 -16.133 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.887 -9.280 -14.998 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.902 -7.226 -16.927 1.00 0.00 C ATOM 0 H ILE A 65 -8.542 -8.042 -15.832 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.475 -8.142 -13.109 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.374 -7.378 -14.177 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.018 -7.420 -16.730 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.350 -5.999 -15.952 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.936 -9.401 -15.517 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.838 -9.779 -14.030 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.685 -9.723 -15.595 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.982 -6.676 -17.864 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.062 -6.839 -16.350 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.740 -8.283 -17.140 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.267 -5.419 -14.783 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.527 -3.991 -14.655 1.00 0.00 C ATOM 1055 C ARG A 66 -9.508 -3.715 -13.519 1.00 0.00 C ATOM 1056 O ARG A 66 -9.264 -2.858 -12.670 1.00 0.00 O ATOM 1057 CB ARG A 66 -9.080 -3.433 -15.968 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.999 -1.918 -16.067 1.00 0.00 C ATOM 1059 CD ARG A 66 -9.735 -1.401 -17.292 1.00 0.00 C ATOM 1060 NE ARG A 66 -10.353 -0.100 -17.051 1.00 0.00 N ATOM 1061 CZ ARG A 66 -11.314 0.419 -17.813 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -11.768 -0.251 -18.866 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -11.821 1.609 -17.523 1.00 0.00 N ATOM 0 H ARG A 66 -8.531 -5.816 -15.685 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.584 -3.495 -14.425 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.531 -3.873 -16.800 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.120 -3.741 -16.074 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.425 -1.470 -15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.954 -1.610 -16.112 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.039 -1.322 -18.127 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.502 -2.118 -17.583 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.029 0.444 -16.251 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.381 -1.167 -19.094 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.504 0.150 -19.447 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.475 2.128 -16.716 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.557 2.006 -18.107 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.616 -4.448 -13.511 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.633 -4.284 -12.479 1.00 0.00 C ATOM 1079 C LYS A 67 -11.095 -4.703 -11.115 1.00 0.00 C ATOM 1080 O LYS A 67 -11.486 -4.151 -10.086 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.878 -5.105 -12.824 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.659 -4.554 -14.006 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.889 -5.396 -14.301 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.067 -4.532 -14.722 1.00 0.00 C ATOM 1085 NZ LYS A 67 -16.867 -4.074 -13.552 1.00 0.00 N ATOM 0 H LYS A 67 -10.833 -5.161 -14.207 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.904 -3.229 -12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.579 -6.130 -13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.532 -5.143 -11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.961 -3.528 -13.798 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.017 -4.525 -14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.661 -6.112 -15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.157 -5.973 -13.416 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.703 -3.666 -15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.707 -5.096 -15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.660 -3.488 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.236 -4.900 -13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.264 -3.514 -12.917 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.195 -5.681 -11.114 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.602 -6.173 -9.876 1.00 0.00 C ATOM 1101 C GLU A 68 -8.861 -5.056 -9.149 1.00 0.00 C ATOM 1102 O GLU A 68 -9.041 -4.855 -7.947 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.644 -7.330 -10.170 1.00 0.00 C ATOM 1104 CG GLU A 68 -9.270 -8.701 -9.976 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.068 -9.242 -8.574 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -8.863 -8.429 -7.648 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.113 -10.479 -8.403 1.00 0.00 O ATOM 0 H GLU A 68 -9.860 -6.148 -11.957 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.406 -6.531 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.288 -7.244 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.772 -7.243 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.338 -8.642 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.840 -9.398 -10.696 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.025 -4.331 -9.886 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.255 -3.234 -9.313 1.00 0.00 C ATOM 1116 C LEU A 69 -8.171 -2.108 -8.852 1.00 0.00 C ATOM 1117 O LEU A 69 -8.074 -1.643 -7.716 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.246 -2.705 -10.336 1.00 0.00 C ATOM 1119 CG LEU A 69 -5.240 -1.691 -9.791 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.083 -2.403 -9.106 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -4.728 -0.797 -10.911 1.00 0.00 C ATOM 0 H LEU A 69 -7.864 -4.484 -10.882 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.716 -3.614 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.697 -3.550 -10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.793 -2.244 -11.158 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.744 -1.067 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.377 -1.666 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.463 -3.003 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.579 -3.051 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.013 -0.081 -10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.240 -1.408 -11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.564 -0.261 -11.360 1.00 0.00 H new ATOM 1133 N GLU A 70 -9.065 -1.673 -9.735 1.00 0.00 N ATOM 1134 CA GLU A 70 -10.001 -0.604 -9.407 1.00 0.00 C ATOM 1135 C GLU A 70 -10.776 -0.942 -8.138 1.00 0.00 C ATOM 1136 O GLU A 70 -11.114 -0.060 -7.348 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.971 -0.368 -10.566 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.431 0.581 -11.624 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.703 2.036 -11.296 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.170 2.524 -10.278 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.450 2.687 -12.057 1.00 0.00 O ATOM 0 H GLU A 70 -9.161 -2.043 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.430 0.309 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.206 -1.324 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.905 0.033 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.356 0.430 -11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.881 0.339 -12.587 1.00 0.00 H new ATOM 1148 N GLU A 71 -11.041 -2.230 -7.946 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.763 -2.693 -6.769 1.00 0.00 C ATOM 1150 C GLU A 71 -10.970 -2.383 -5.505 1.00 0.00 C ATOM 1151 O GLU A 71 -11.526 -1.923 -4.506 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.031 -4.196 -6.865 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.344 -4.535 -7.551 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.454 -6.006 -7.905 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.181 -6.850 -7.025 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.816 -6.314 -9.060 1.00 0.00 O ATOM 0 H GLU A 71 -10.766 -2.971 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.718 -2.169 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.213 -4.669 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.034 -4.621 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.172 -4.259 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.440 -3.938 -8.458 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.664 -2.630 -5.560 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.790 -2.368 -4.424 1.00 0.00 C ATOM 1165 C ALA A 72 -8.463 -0.882 -4.315 1.00 0.00 C ATOM 1166 O ALA A 72 -8.064 -0.401 -3.255 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.512 -3.186 -4.543 1.00 0.00 C ATOM 0 H ALA A 72 -9.190 -3.011 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.315 -2.665 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.868 -2.981 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.760 -4.247 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.992 -2.916 -5.462 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.632 -0.159 -5.420 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.350 1.263 -5.426 1.00 0.00 C ATOM 1175 C GLY A 73 -9.202 2.031 -4.436 1.00 0.00 C ATOM 1176 O GLY A 73 -8.687 2.591 -3.469 1.00 0.00 O ATOM 0 H GLY A 73 -8.959 -0.535 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.297 1.422 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.518 1.659 -6.428 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.510 2.060 -4.676 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.430 2.770 -3.794 1.00 0.00 C ATOM 1182 C ALA A 74 -12.840 2.201 -3.884 1.00 0.00 C ATOM 1183 O ALA A 74 -13.810 2.938 -4.062 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.436 4.252 -4.130 1.00 0.00 C ATOM 0 H ALA A 74 -10.955 1.602 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.084 2.637 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.126 4.773 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.433 4.658 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.754 4.389 -5.164 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.950 0.884 -3.757 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.243 0.215 -3.821 1.00 0.00 C ATOM 1192 C LYS A 75 -14.759 -0.108 -2.422 1.00 0.00 C ATOM 1193 O LYS A 75 -13.988 -0.169 -1.465 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.137 -1.067 -4.648 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.413 -1.417 -5.398 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.342 -0.980 -6.852 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.279 0.534 -6.977 1.00 0.00 C ATOM 1198 NZ LYS A 75 -16.582 1.173 -6.647 1.00 0.00 N ATOM 0 H LYS A 75 -12.158 0.258 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.950 0.891 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.322 -0.961 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.875 -1.894 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.582 -2.493 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.264 -0.938 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.464 -1.422 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.214 -1.354 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.506 0.921 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.990 0.803 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.528 2.193 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.333 0.749 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.797 1.024 -5.640 1.00 0.00 H new ATOM 1212 N ILE A 76 -16.068 -0.312 -2.311 1.00 0.00 N ATOM 1213 CA ILE A 76 -16.689 -0.628 -1.029 1.00 0.00 C ATOM 1214 C ILE A 76 -16.053 -1.861 -0.396 1.00 0.00 C ATOM 1215 O ILE A 76 -15.914 -2.900 -1.041 1.00 0.00 O ATOM 1216 CB ILE A 76 -18.202 -0.868 -1.183 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -18.840 0.257 -2.000 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -18.862 -0.981 0.183 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -19.097 -0.115 -3.444 1.00 0.00 C ATOM 0 H ILE A 76 -16.720 -0.264 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.528 0.233 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.353 -1.807 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -19.783 0.544 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -18.190 1.131 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -19.931 -1.151 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -18.424 -1.815 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.704 -0.058 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -19.550 0.730 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -18.154 -0.373 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.772 -0.970 -3.485 1.00 0.00 H new ATOM 1231 N ASN A 77 -15.672 -1.739 0.870 1.00 0.00 N ATOM 1232 CA ASN A 77 -15.052 -2.845 1.593 1.00 0.00 C ATOM 1233 C ASN A 77 -13.751 -3.273 0.920 1.00 0.00 C ATOM 1234 O ASN A 77 -13.762 -4.053 -0.033 1.00 0.00 O ATOM 1235 CB ASN A 77 -16.014 -4.032 1.672 1.00 0.00 C ATOM 1236 CG ASN A 77 -15.957 -4.733 3.015 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -16.987 -5.102 3.580 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -14.749 -4.921 3.534 1.00 0.00 N ATOM 0 H ASN A 77 -15.781 -0.886 1.418 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.823 -2.504 2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -17.031 -3.685 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.774 -4.744 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.648 -5.388 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.922 -4.599 3.031 1.00 0.00 H new ATOM 1245 N HIS A 78 -12.634 -2.757 1.420 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.326 -3.087 0.867 1.00 0.00 C ATOM 1247 C HIS A 78 -10.605 -4.109 1.739 1.00 0.00 C ATOM 1248 O HIS A 78 -9.831 -4.927 1.242 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.474 -1.825 0.729 1.00 0.00 C ATOM 1250 CG HIS A 78 -9.143 -2.069 0.089 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.026 -1.306 0.358 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -8.750 -3.000 -0.813 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -7.006 -1.756 -0.349 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.418 -2.783 -1.067 1.00 0.00 N ATOM 0 H HIS A 78 -12.608 -2.109 2.207 1.00 0.00 H new ATOM 0 HA HIS A 78 -11.478 -3.524 -0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -11.022 -1.089 0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.319 -1.391 1.717 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -7.993 -0.517 1.003 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.369 -3.769 -1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.004 -1.352 -0.341 1.00 0.00 H new ATOM 1263 N THR A 79 -10.863 -4.058 3.042 1.00 0.00 N ATOM 1264 CA THR A 79 -10.236 -4.982 3.981 1.00 0.00 C ATOM 1265 C THR A 79 -10.550 -6.429 3.606 1.00 0.00 C ATOM 1266 O THR A 79 -9.743 -7.090 2.958 1.00 0.00 O ATOM 1267 CB THR A 79 -10.701 -4.691 5.410 1.00 0.00 C ATOM 1268 OG1 THR A 79 -11.911 -3.954 5.404 1.00 0.00 O ATOM 1269 CG2 THR A 79 -9.690 -3.904 6.218 1.00 0.00 C ATOM 0 H THR A 79 -11.501 -3.388 3.471 1.00 0.00 H new ATOM 0 HA THR A 79 -9.157 -4.840 3.930 1.00 0.00 H new ATOM 0 HB THR A 79 -10.836 -5.668 5.875 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.192 -3.780 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.081 -3.731 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.759 -4.467 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.502 -2.947 5.732 1.00 0.00 H new ATOM 1277 N THR A 80 -11.733 -6.902 4.013 1.00 0.00 N ATOM 1278 CA THR A 80 -12.193 -8.262 3.735 1.00 0.00 C ATOM 1279 C THR A 80 -11.150 -9.313 4.106 1.00 0.00 C ATOM 1280 O THR A 80 -11.380 -10.137 4.990 1.00 0.00 O ATOM 1281 CB THR A 80 -12.622 -8.424 2.264 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.442 -9.761 1.831 1.00 0.00 O ATOM 1283 CG2 THR A 80 -11.884 -7.531 1.288 1.00 0.00 C ATOM 0 H THR A 80 -12.401 -6.346 4.548 1.00 0.00 H new ATOM 0 HA THR A 80 -13.065 -8.427 4.367 1.00 0.00 H new ATOM 0 HB THR A 80 -13.672 -8.131 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.722 -9.842 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.252 -7.714 0.278 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.052 -6.487 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.817 -7.749 1.331 1.00 0.00 H new ATOM 1291 N LEU A 81 -10.018 -9.299 3.408 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.949 -10.265 3.642 1.00 0.00 C ATOM 1293 C LEU A 81 -9.274 -11.587 2.950 1.00 0.00 C ATOM 1294 O LEU A 81 -8.419 -12.465 2.830 1.00 0.00 O ATOM 1295 CB LEU A 81 -8.718 -10.490 5.143 1.00 0.00 C ATOM 1296 CG LEU A 81 -7.268 -10.334 5.606 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -7.204 -10.202 7.119 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -6.428 -11.513 5.137 1.00 0.00 C ATOM 0 H LEU A 81 -9.817 -8.624 2.670 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.029 -9.859 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.339 -9.788 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.060 -11.492 5.401 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.861 -9.425 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.165 -10.092 7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.772 -9.326 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.629 -11.094 7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.400 -11.385 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.834 -12.436 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.448 -11.564 4.048 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.516 -11.717 2.481 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.944 -12.927 1.790 1.00 0.00 C ATOM 1312 C LYS A 82 -10.483 -12.896 0.340 1.00 0.00 C ATOM 1313 O LYS A 82 -9.825 -13.823 -0.133 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.466 -13.071 1.857 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.941 -13.995 2.968 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.672 -15.208 2.414 1.00 0.00 C ATOM 1317 CE LYS A 82 -13.667 -16.364 3.401 1.00 0.00 C ATOM 1318 NZ LYS A 82 -15.040 -16.876 3.665 1.00 0.00 N ATOM 0 H LYS A 82 -11.238 -11.001 2.568 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.492 -13.787 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.910 -12.086 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.829 -13.449 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.086 -14.323 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.602 -13.447 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.701 -14.936 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.202 -15.522 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.047 -17.171 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.214 -16.039 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.993 -17.663 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.625 -16.113 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.463 -17.210 2.776 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.820 -11.818 -0.361 1.00 0.00 N ATOM 1333 CA ILE A 83 -10.423 -11.664 -1.753 1.00 0.00 C ATOM 1334 C ILE A 83 -8.907 -11.703 -1.876 1.00 0.00 C ATOM 1335 O ILE A 83 -8.363 -12.214 -2.855 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.946 -10.343 -2.350 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.504 -9.158 -1.489 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -12.463 -10.381 -2.470 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.263 -8.465 -2.008 1.00 0.00 C ATOM 0 H ILE A 83 -11.366 -11.041 0.012 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.861 -12.492 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.524 -10.220 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.318 -8.435 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.318 -9.506 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.818 -9.441 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.756 -11.205 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.903 -10.523 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.007 -7.635 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.436 -9.174 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.451 -8.086 -3.013 1.00 0.00 H new ATOM 1351 N LEU A 84 -8.229 -11.171 -0.864 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.774 -11.158 -0.846 1.00 0.00 C ATOM 1353 C LEU A 84 -6.238 -12.579 -0.736 1.00 0.00 C ATOM 1354 O LEU A 84 -5.216 -12.917 -1.335 1.00 0.00 O ATOM 1355 CB LEU A 84 -6.263 -10.312 0.323 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.742 -10.286 0.487 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.150 -9.078 -0.221 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -4.363 -10.280 1.961 1.00 0.00 C ATOM 0 H LEU A 84 -8.665 -10.744 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.419 -10.717 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.617 -9.289 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.706 -10.688 1.245 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.332 -11.187 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.067 -9.076 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.390 -9.125 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.567 -8.166 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.277 -10.261 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.785 -9.397 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.755 -11.177 2.441 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.940 -13.411 0.028 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.539 -14.799 0.210 1.00 0.00 C ATOM 1372 C GLU A 85 -6.691 -15.578 -1.094 1.00 0.00 C ATOM 1373 O GLU A 85 -5.976 -16.551 -1.334 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.375 -15.456 1.310 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.803 -15.263 2.705 1.00 0.00 C ATOM 1376 CD GLU A 85 -5.530 -16.057 2.927 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -5.620 -17.295 3.064 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -4.445 -15.440 2.966 1.00 0.00 O ATOM 0 H GLU A 85 -7.788 -13.147 0.530 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.490 -14.814 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.385 -15.047 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.457 -16.523 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.600 -14.204 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.547 -15.562 3.444 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.626 -15.142 -1.935 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.851 -15.811 -3.204 1.00 0.00 C ATOM 1387 C GLY A 86 -7.438 -14.967 -4.396 1.00 0.00 C ATOM 1388 O GLY A 86 -7.787 -15.279 -5.534 1.00 0.00 O ATOM 0 H GLY A 86 -8.230 -14.339 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.295 -16.749 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.907 -16.065 -3.293 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.691 -13.897 -4.138 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.232 -13.011 -5.204 1.00 0.00 C ATOM 1394 C HIS A 87 -4.715 -13.083 -5.353 1.00 0.00 C ATOM 1395 O HIS A 87 -4.186 -12.999 -6.461 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.663 -11.569 -4.922 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.218 -10.593 -5.966 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.590 -10.684 -7.290 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -5.426 -9.497 -5.874 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.048 -9.687 -7.968 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -5.337 -8.954 -7.132 1.00 0.00 N ATOM 0 H HIS A 87 -6.391 -13.623 -3.202 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.688 -13.340 -6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.750 -11.533 -4.843 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.263 -11.262 -3.956 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.190 -11.408 -7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.953 -9.121 -4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.167 -9.504 -9.026 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.022 -13.240 -4.231 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.566 -13.323 -4.236 1.00 0.00 C ATOM 1412 C LEU A 88 -2.103 -14.763 -4.038 1.00 0.00 C ATOM 1413 O LEU A 88 -0.928 -15.053 -4.347 1.00 0.00 O ATOM 1414 CB LEU A 88 -1.979 -12.430 -3.143 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.771 -10.968 -3.541 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.921 -10.874 -4.799 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -3.110 -10.278 -3.749 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.917 -15.586 -3.573 1.00 0.00 O ATOM 0 H LEU A 88 -4.445 -13.312 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.210 -12.977 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.638 -12.464 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.021 -12.845 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.245 -10.462 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.783 -9.827 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.051 -11.333 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.421 -11.395 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.944 -9.239 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.662 -10.785 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.686 -10.315 -2.824 1.00 0.00 H new TER 1430 LEU A 88