USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 2 GLN : amide:sc= -1.12 K(o=-1.1,f=-6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 160:sc= 0.767 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -10:sc= 0.79! USER MOD Single : A 20 SER OG : rot 180:sc= -0.931 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.0024) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= -0.745 (180deg=-0.776) USER MOD Single : A 31 GLN : amide:sc= -0.999 K(o=-1,f=-4.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.0015) USER MOD Single : A 55 THR OG1 : rot -143:sc= 0.664 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= -1.6 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -88:sc= 0.0148 USER MOD Single : A 66 THR OG1 : rot 120:sc= 0.999 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.267 2.952 1.119 1.00 0.00 N ATOM 21 CA GLN A 2 -14.384 1.535 1.441 1.00 0.00 C ATOM 22 C GLN A 2 -13.365 1.110 2.499 1.00 0.00 C ATOM 23 O GLN A 2 -13.678 0.296 3.367 1.00 0.00 O ATOM 24 CB GLN A 2 -14.207 0.687 0.178 1.00 0.00 C ATOM 25 CG GLN A 2 -15.150 1.075 -0.950 1.00 0.00 C ATOM 26 CD GLN A 2 -16.606 1.098 -0.514 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.120 0.110 0.012 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.282 2.224 -0.730 1.00 0.00 N ATOM 0 HA GLN A 2 -15.381 1.373 1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.178 0.779 -0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.366 -0.362 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.872 2.059 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.033 0.372 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.820 3.020 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.263 2.291 -0.457 1.00 0.00 H new ATOM 37 N ILE A 3 -12.144 1.647 2.430 1.00 0.00 N ATOM 38 CA ILE A 3 -11.115 1.283 3.399 1.00 0.00 C ATOM 39 C ILE A 3 -10.297 2.494 3.844 1.00 0.00 C ATOM 40 O ILE A 3 -10.349 3.555 3.223 1.00 0.00 O ATOM 41 CB ILE A 3 -10.160 0.218 2.827 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.485 0.734 1.557 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.915 -1.073 2.547 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.526 -0.258 0.936 1.00 0.00 C ATOM 0 H ILE A 3 -11.850 2.323 1.725 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.638 0.875 4.264 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.386 0.011 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.252 0.991 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.945 1.652 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.228 -1.816 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.351 -1.447 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.708 -0.881 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.084 0.176 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.737 -0.497 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.065 -1.168 0.672 1.00 0.00 H new ATOM 56 N PHE A 4 -9.537 2.322 4.926 1.00 0.00 N ATOM 57 CA PHE A 4 -8.702 3.393 5.458 1.00 0.00 C ATOM 58 C PHE A 4 -7.254 2.928 5.597 1.00 0.00 C ATOM 59 O PHE A 4 -6.923 2.171 6.509 1.00 0.00 O ATOM 60 CB PHE A 4 -9.232 3.853 6.819 1.00 0.00 C ATOM 61 CG PHE A 4 -10.311 4.894 6.726 1.00 0.00 C ATOM 62 CD1 PHE A 4 -9.988 6.236 6.607 1.00 0.00 C ATOM 63 CD2 PHE A 4 -11.647 4.530 6.759 1.00 0.00 C ATOM 64 CE1 PHE A 4 -10.980 7.197 6.525 1.00 0.00 C ATOM 65 CE2 PHE A 4 -12.643 5.485 6.676 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.308 6.820 6.559 1.00 0.00 C ATOM 0 H PHE A 4 -9.484 1.449 5.450 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.735 4.230 4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.619 2.989 7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.404 4.252 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.951 6.535 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.914 3.487 6.851 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.716 8.240 6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -13.681 5.188 6.703 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.084 7.568 6.494 1.00 0.00 H new ATOM 76 N VAL A 5 -6.393 3.380 4.687 1.00 0.00 N ATOM 77 CA VAL A 5 -4.985 3.003 4.715 1.00 0.00 C ATOM 78 C VAL A 5 -4.145 4.066 5.420 1.00 0.00 C ATOM 79 O VAL A 5 -4.538 5.231 5.488 1.00 0.00 O ATOM 80 CB VAL A 5 -4.437 2.785 3.290 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.045 2.175 3.334 1.00 0.00 C ATOM 82 CG2 VAL A 5 -5.383 1.910 2.483 1.00 0.00 C ATOM 0 H VAL A 5 -6.647 4.007 3.923 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.915 2.067 5.269 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.365 3.756 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.679 2.030 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.372 2.843 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.085 1.213 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.980 1.767 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.490 0.942 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.358 2.393 2.417 1.00 0.00 H new ATOM 92 N LYS A 6 -2.988 3.664 5.944 1.00 0.00 N ATOM 93 CA LYS A 6 -2.104 4.589 6.641 1.00 0.00 C ATOM 94 C LYS A 6 -0.880 4.917 5.790 1.00 0.00 C ATOM 95 O LYS A 6 -0.440 4.101 4.980 1.00 0.00 O ATOM 96 CB LYS A 6 -1.664 3.997 7.982 1.00 0.00 C ATOM 97 CG LYS A 6 -1.052 5.019 8.927 1.00 0.00 C ATOM 98 CD LYS A 6 -1.549 4.832 10.351 1.00 0.00 C ATOM 99 CE LYS A 6 -2.640 5.832 10.698 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.776 5.190 11.414 1.00 0.00 N ATOM 0 H LYS A 6 -2.644 2.705 5.898 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.656 5.511 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.525 3.537 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.939 3.204 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.034 4.931 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.297 6.024 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.931 3.819 10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.717 4.945 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.222 6.625 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.006 6.301 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.498 5.906 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.192 4.451 10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.433 4.764 12.298 1.00 0.00 H new ATOM 114 N THR A 7 -0.338 6.120 5.970 1.00 0.00 N ATOM 115 CA THR A 7 0.829 6.553 5.208 1.00 0.00 C ATOM 116 C THR A 7 2.114 6.402 6.036 1.00 0.00 C ATOM 117 O THR A 7 2.150 5.611 6.978 1.00 0.00 O ATOM 118 CB THR A 7 0.624 7.992 4.728 1.00 0.00 C ATOM 119 OG1 THR A 7 0.644 8.899 5.817 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.687 8.178 3.991 1.00 0.00 C ATOM 0 H THR A 7 -0.688 6.810 6.635 1.00 0.00 H new ATOM 0 HA THR A 7 0.943 5.914 4.332 1.00 0.00 H new ATOM 0 HB THR A 7 1.448 8.196 4.044 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.833 9.802 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.781 9.216 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.709 7.527 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.515 7.925 4.652 1.00 0.00 H new ATOM 128 N LEU A 8 3.170 7.148 5.690 1.00 0.00 N ATOM 129 CA LEU A 8 4.427 7.065 6.417 1.00 0.00 C ATOM 130 C LEU A 8 4.251 7.605 7.829 1.00 0.00 C ATOM 131 O LEU A 8 4.872 7.119 8.773 1.00 0.00 O ATOM 132 CB LEU A 8 5.551 7.791 5.654 1.00 0.00 C ATOM 133 CG LEU A 8 5.649 9.301 5.881 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.062 9.788 5.599 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.648 10.036 5.002 1.00 0.00 C ATOM 0 H LEU A 8 3.172 7.810 4.914 1.00 0.00 H new ATOM 0 HA LEU A 8 4.723 6.019 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.503 7.339 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.413 7.612 4.588 1.00 0.00 H new ATOM 0 HG LEU A 8 5.412 9.511 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.116 10.864 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.761 9.283 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.323 9.567 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.730 11.109 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.857 9.821 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.638 9.706 5.246 1.00 0.00 H new ATOM 147 N THR A 9 3.379 8.605 7.969 1.00 0.00 N ATOM 148 CA THR A 9 3.106 9.191 9.270 1.00 0.00 C ATOM 149 C THR A 9 1.680 8.855 9.715 1.00 0.00 C ATOM 150 O THR A 9 1.478 7.982 10.560 1.00 0.00 O ATOM 151 CB THR A 9 3.336 10.716 9.273 1.00 0.00 C ATOM 152 OG1 THR A 9 2.309 11.382 9.988 1.00 0.00 O ATOM 153 CG2 THR A 9 3.405 11.341 7.896 1.00 0.00 C ATOM 0 H THR A 9 2.855 9.020 7.198 1.00 0.00 H new ATOM 0 HA THR A 9 3.808 8.758 9.983 1.00 0.00 H new ATOM 0 HB THR A 9 4.308 10.841 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.477 12.348 9.978 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.569 12.414 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.228 10.897 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.468 11.162 7.368 1.00 0.00 H new ATOM 161 N GLY A 10 0.690 9.544 9.148 1.00 0.00 N ATOM 162 CA GLY A 10 -0.690 9.281 9.519 1.00 0.00 C ATOM 163 C GLY A 10 -1.694 10.060 8.685 1.00 0.00 C ATOM 164 O GLY A 10 -2.629 10.649 9.226 1.00 0.00 O ATOM 0 H GLY A 10 0.818 10.272 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.890 8.215 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.830 9.530 10.571 1.00 0.00 H new ATOM 168 N LYS A 11 -1.508 10.061 7.366 1.00 0.00 N ATOM 169 CA LYS A 11 -2.419 10.771 6.474 1.00 0.00 C ATOM 170 C LYS A 11 -3.631 9.903 6.143 1.00 0.00 C ATOM 171 O LYS A 11 -3.509 8.688 5.987 1.00 0.00 O ATOM 172 CB LYS A 11 -1.704 11.183 5.185 1.00 0.00 C ATOM 173 CG LYS A 11 -2.307 12.410 4.521 1.00 0.00 C ATOM 174 CD LYS A 11 -1.440 12.910 3.376 1.00 0.00 C ATOM 175 CE LYS A 11 -0.675 14.165 3.762 1.00 0.00 C ATOM 176 NZ LYS A 11 0.315 14.556 2.719 1.00 0.00 N ATOM 0 H LYS A 11 -0.740 9.582 6.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.760 11.671 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.655 11.379 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.730 10.350 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.302 12.170 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.427 13.202 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.737 12.130 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.066 13.117 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.377 14.983 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.159 13.999 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.816 15.416 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.001 13.786 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.179 14.739 1.823 1.00 0.00 H new ATOM 190 N THR A 12 -4.801 10.529 6.037 1.00 0.00 N ATOM 191 CA THR A 12 -6.025 9.800 5.724 1.00 0.00 C ATOM 192 C THR A 12 -6.284 9.792 4.218 1.00 0.00 C ATOM 193 O THR A 12 -6.538 10.838 3.619 1.00 0.00 O ATOM 194 CB THR A 12 -7.220 10.413 6.467 1.00 0.00 C ATOM 195 OG1 THR A 12 -8.354 9.560 6.395 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.629 11.774 5.939 1.00 0.00 C ATOM 0 H THR A 12 -4.926 11.533 6.163 1.00 0.00 H new ATOM 0 HA THR A 12 -5.899 8.769 6.055 1.00 0.00 H new ATOM 0 HB THR A 12 -6.883 10.532 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.103 9.970 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.479 12.146 6.511 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.794 12.468 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.908 11.688 4.889 1.00 0.00 H new ATOM 204 N ILE A 13 -6.220 8.610 3.609 1.00 0.00 N ATOM 205 CA ILE A 13 -6.450 8.479 2.175 1.00 0.00 C ATOM 206 C ILE A 13 -7.705 7.657 1.892 1.00 0.00 C ATOM 207 O ILE A 13 -8.001 6.697 2.603 1.00 0.00 O ATOM 208 CB ILE A 13 -5.248 7.826 1.467 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.985 6.429 2.033 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.010 8.699 1.607 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.135 5.562 1.130 1.00 0.00 C ATOM 0 H ILE A 13 -6.011 7.733 4.086 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.584 9.488 1.784 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.484 7.729 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.492 6.525 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.939 5.931 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.170 8.223 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.199 9.674 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.772 8.827 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.989 4.587 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.636 5.436 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.167 6.038 0.974 1.00 0.00 H new ATOM 223 N THR A 14 -8.441 8.041 0.852 1.00 0.00 N ATOM 224 CA THR A 14 -9.665 7.340 0.481 1.00 0.00 C ATOM 225 C THR A 14 -9.444 6.486 -0.768 1.00 0.00 C ATOM 226 O THR A 14 -9.117 7.011 -1.833 1.00 0.00 O ATOM 227 CB THR A 14 -10.798 8.347 0.236 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.746 8.857 -1.088 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.771 9.527 1.187 1.00 0.00 C ATOM 0 H THR A 14 -8.210 8.833 0.252 1.00 0.00 H new ATOM 0 HA THR A 14 -9.945 6.682 1.303 1.00 0.00 H new ATOM 0 HB THR A 14 -11.718 7.787 0.405 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.909 8.577 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.599 10.198 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.867 9.170 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.828 10.062 1.076 1.00 0.00 H new ATOM 237 N LEU A 15 -9.622 5.169 -0.638 1.00 0.00 N ATOM 238 CA LEU A 15 -9.437 4.267 -1.769 1.00 0.00 C ATOM 239 C LEU A 15 -10.525 3.196 -1.806 1.00 0.00 C ATOM 240 O LEU A 15 -11.169 2.919 -0.793 1.00 0.00 O ATOM 241 CB LEU A 15 -8.058 3.609 -1.705 1.00 0.00 C ATOM 242 CG LEU A 15 -7.696 2.993 -0.353 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.565 1.988 -0.511 1.00 0.00 C ATOM 244 CD2 LEU A 15 -7.315 4.079 0.643 1.00 0.00 C ATOM 0 H LEU A 15 -9.892 4.710 0.232 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.509 4.858 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.008 2.831 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.305 4.354 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.570 2.467 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.320 1.560 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.876 1.194 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.687 2.489 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.060 3.622 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.456 4.634 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.155 4.760 0.778 1.00 0.00 H new ATOM 256 N GLU A 16 -10.724 2.593 -2.977 1.00 0.00 N ATOM 257 CA GLU A 16 -11.733 1.551 -3.137 1.00 0.00 C ATOM 258 C GLU A 16 -11.087 0.166 -3.123 1.00 0.00 C ATOM 259 O GLU A 16 -9.881 0.039 -2.910 1.00 0.00 O ATOM 260 CB GLU A 16 -12.506 1.758 -4.443 1.00 0.00 C ATOM 261 CG GLU A 16 -14.014 1.678 -4.276 1.00 0.00 C ATOM 262 CD GLU A 16 -14.723 1.282 -5.556 1.00 0.00 C ATOM 263 OE1 GLU A 16 -15.055 2.184 -6.354 1.00 0.00 O ATOM 264 OE2 GLU A 16 -14.945 0.071 -5.761 1.00 0.00 O ATOM 0 H GLU A 16 -10.201 2.808 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.428 1.616 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.246 2.731 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.189 1.007 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.251 0.955 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.390 2.645 -3.941 1.00 0.00 H new ATOM 271 N VAL A 17 -11.892 -0.871 -3.351 1.00 0.00 N ATOM 272 CA VAL A 17 -11.385 -2.238 -3.360 1.00 0.00 C ATOM 273 C VAL A 17 -11.964 -3.035 -4.528 1.00 0.00 C ATOM 274 O VAL A 17 -13.098 -3.507 -4.464 1.00 0.00 O ATOM 275 CB VAL A 17 -11.712 -2.968 -2.044 1.00 0.00 C ATOM 276 CG1 VAL A 17 -11.009 -4.316 -1.991 1.00 0.00 C ATOM 277 CG2 VAL A 17 -11.326 -2.112 -0.848 1.00 0.00 C ATOM 0 H VAL A 17 -12.893 -0.789 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.303 -2.171 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.787 -3.143 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.252 -4.817 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.339 -4.932 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.931 -4.167 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.565 -2.644 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.257 -1.903 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.880 -1.174 -0.878 1.00 0.00 H new ATOM 287 N GLU A 18 -11.177 -3.184 -5.594 1.00 0.00 N ATOM 288 CA GLU A 18 -11.620 -3.926 -6.769 1.00 0.00 C ATOM 289 C GLU A 18 -10.912 -5.277 -6.862 1.00 0.00 C ATOM 290 O GLU A 18 -9.808 -5.446 -6.342 1.00 0.00 O ATOM 291 CB GLU A 18 -11.369 -3.112 -8.042 1.00 0.00 C ATOM 292 CG GLU A 18 -9.902 -2.795 -8.288 1.00 0.00 C ATOM 293 CD GLU A 18 -9.649 -1.311 -8.476 1.00 0.00 C ATOM 294 OE1 GLU A 18 -9.940 -0.535 -7.542 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.160 -0.925 -9.559 1.00 0.00 O ATOM 0 H GLU A 18 -10.234 -2.802 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.691 -4.105 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.761 -3.663 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.928 -2.178 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.310 -3.157 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.561 -3.333 -9.173 1.00 0.00 H new ATOM 302 N PRO A 19 -11.545 -6.263 -7.524 1.00 0.00 N ATOM 303 CA PRO A 19 -10.976 -7.608 -7.681 1.00 0.00 C ATOM 304 C PRO A 19 -9.666 -7.619 -8.473 1.00 0.00 C ATOM 305 O PRO A 19 -8.872 -8.552 -8.350 1.00 0.00 O ATOM 306 CB PRO A 19 -12.063 -8.376 -8.443 1.00 0.00 C ATOM 307 CG PRO A 19 -12.895 -7.326 -9.094 1.00 0.00 C ATOM 308 CD PRO A 19 -12.865 -6.145 -8.168 1.00 0.00 C ATOM 0 HA PRO A 19 -10.720 -8.042 -6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.627 -9.048 -9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.659 -8.989 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.497 -7.064 -10.074 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.916 -7.676 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.967 -5.205 -8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.675 -6.183 -7.439 1.00 0.00 H new ATOM 316 N SER A 20 -9.440 -6.591 -9.290 1.00 0.00 N ATOM 317 CA SER A 20 -8.220 -6.514 -10.094 1.00 0.00 C ATOM 318 C SER A 20 -7.029 -6.042 -9.257 1.00 0.00 C ATOM 319 O SER A 20 -5.901 -6.486 -9.472 1.00 0.00 O ATOM 320 CB SER A 20 -8.422 -5.574 -11.286 1.00 0.00 C ATOM 321 OG SER A 20 -8.399 -4.217 -10.876 1.00 0.00 O ATOM 0 H SER A 20 -10.079 -5.806 -9.413 1.00 0.00 H new ATOM 0 HA SER A 20 -8.004 -7.517 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.640 -5.747 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.373 -5.795 -11.770 1.00 0.00 H new ATOM 0 HG SER A 20 -8.528 -3.637 -11.656 1.00 0.00 H new ATOM 327 N ASP A 21 -7.278 -5.140 -8.308 1.00 0.00 N ATOM 328 CA ASP A 21 -6.210 -4.620 -7.456 1.00 0.00 C ATOM 329 C ASP A 21 -5.767 -5.665 -6.433 1.00 0.00 C ATOM 330 O ASP A 21 -6.384 -5.810 -5.378 1.00 0.00 O ATOM 331 CB ASP A 21 -6.667 -3.348 -6.735 1.00 0.00 C ATOM 332 CG ASP A 21 -6.645 -2.129 -7.636 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.062 -2.215 -8.739 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.208 -1.087 -7.240 1.00 0.00 O ATOM 0 H ASP A 21 -8.203 -4.757 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.361 -4.380 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.677 -3.494 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.022 -3.171 -5.874 1.00 0.00 H new ATOM 339 N THR A 22 -4.693 -6.388 -6.749 1.00 0.00 N ATOM 340 CA THR A 22 -4.175 -7.413 -5.846 1.00 0.00 C ATOM 341 C THR A 22 -3.235 -6.801 -4.808 1.00 0.00 C ATOM 342 O THR A 22 -3.043 -5.586 -4.776 1.00 0.00 O ATOM 343 CB THR A 22 -3.448 -8.510 -6.632 1.00 0.00 C ATOM 344 OG1 THR A 22 -2.153 -8.081 -7.026 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.191 -8.948 -7.877 1.00 0.00 C ATOM 0 H THR A 22 -4.168 -6.284 -7.617 1.00 0.00 H new ATOM 0 HA THR A 22 -5.022 -7.859 -5.325 1.00 0.00 H new ATOM 0 HB THR A 22 -3.387 -9.358 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.708 -8.798 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.622 -9.726 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.170 -9.338 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.317 -8.095 -8.544 1.00 0.00 H new ATOM 353 N ILE A 23 -2.654 -7.648 -3.958 1.00 0.00 N ATOM 354 CA ILE A 23 -1.738 -7.176 -2.920 1.00 0.00 C ATOM 355 C ILE A 23 -0.437 -6.636 -3.518 1.00 0.00 C ATOM 356 O ILE A 23 0.179 -5.732 -2.956 1.00 0.00 O ATOM 357 CB ILE A 23 -1.400 -8.291 -1.904 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.678 -8.946 -1.372 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.575 -7.730 -0.755 1.00 0.00 C ATOM 360 CD1 ILE A 23 -3.703 -7.955 -0.862 1.00 0.00 C ATOM 0 H ILE A 23 -2.800 -8.657 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.255 -6.368 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.812 -9.053 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.127 -9.544 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.416 -9.631 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.345 -8.528 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.353 -7.311 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.141 -6.948 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.580 -8.492 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.273 -7.374 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.995 -7.285 -1.671 1.00 0.00 H new ATOM 372 N GLU A 24 -0.015 -7.193 -4.652 1.00 0.00 N ATOM 373 CA GLU A 24 1.221 -6.752 -5.300 1.00 0.00 C ATOM 374 C GLU A 24 1.064 -5.355 -5.900 1.00 0.00 C ATOM 375 O GLU A 24 1.915 -4.489 -5.701 1.00 0.00 O ATOM 376 CB GLU A 24 1.641 -7.741 -6.391 1.00 0.00 C ATOM 377 CG GLU A 24 3.040 -7.493 -6.930 1.00 0.00 C ATOM 378 CD GLU A 24 3.033 -6.790 -8.273 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.136 -7.083 -9.092 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.924 -5.947 -8.507 1.00 0.00 O ATOM 0 H GLU A 24 -0.505 -7.944 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 24 1.997 -6.714 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.589 -8.754 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.928 -7.686 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.600 -6.893 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.562 -8.445 -7.025 1.00 0.00 H new ATOM 387 N ASN A 25 -0.025 -5.141 -6.638 1.00 0.00 N ATOM 388 CA ASN A 25 -0.290 -3.846 -7.275 1.00 0.00 C ATOM 389 C ASN A 25 -0.761 -2.780 -6.274 1.00 0.00 C ATOM 390 O ASN A 25 -1.659 -1.996 -6.582 1.00 0.00 O ATOM 391 CB ASN A 25 -1.332 -4.006 -8.388 1.00 0.00 C ATOM 392 CG ASN A 25 -0.699 -4.349 -9.726 1.00 0.00 C ATOM 393 OD1 ASN A 25 -0.787 -3.576 -10.680 1.00 0.00 O ATOM 394 ND2 ASN A 25 -0.058 -5.514 -9.806 1.00 0.00 N ATOM 0 H ASN A 25 -0.740 -5.847 -6.811 1.00 0.00 H new ATOM 0 HA ASN A 25 0.655 -3.502 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.038 -4.789 -8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.902 -3.082 -8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.383 -5.794 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.008 -6.126 -8.991 1.00 0.00 H new ATOM 401 N VAL A 26 -0.158 -2.737 -5.087 1.00 0.00 N ATOM 402 CA VAL A 26 -0.541 -1.745 -4.083 1.00 0.00 C ATOM 403 C VAL A 26 -0.018 -0.355 -4.449 1.00 0.00 C ATOM 404 O VAL A 26 -0.645 0.654 -4.126 1.00 0.00 O ATOM 405 CB VAL A 26 -0.036 -2.113 -2.672 1.00 0.00 C ATOM 406 CG1 VAL A 26 -0.770 -3.335 -2.144 1.00 0.00 C ATOM 407 CG2 VAL A 26 1.469 -2.344 -2.676 1.00 0.00 C ATOM 0 H VAL A 26 0.589 -3.369 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.631 -1.736 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.244 -1.275 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.400 -3.579 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.838 -3.124 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.598 -4.179 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.800 -2.602 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.710 -3.160 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.976 -1.436 -3.003 1.00 0.00 H new ATOM 417 N LYS A 27 1.133 -0.302 -5.122 1.00 0.00 N ATOM 418 CA LYS A 27 1.721 0.976 -5.521 1.00 0.00 C ATOM 419 C LYS A 27 0.774 1.760 -6.430 1.00 0.00 C ATOM 420 O LYS A 27 0.751 2.991 -6.393 1.00 0.00 O ATOM 421 CB LYS A 27 3.059 0.754 -6.231 1.00 0.00 C ATOM 422 CG LYS A 27 4.132 0.158 -5.334 1.00 0.00 C ATOM 423 CD LYS A 27 4.504 1.107 -4.205 1.00 0.00 C ATOM 424 CE LYS A 27 3.640 0.877 -2.974 1.00 0.00 C ATOM 425 NZ LYS A 27 4.440 0.386 -1.818 1.00 0.00 N ATOM 0 H LYS A 27 1.672 -1.122 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 27 1.891 1.559 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.903 0.094 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.414 1.706 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.777 -0.784 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.018 -0.070 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.554 0.970 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.391 2.137 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.141 1.807 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.859 0.154 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.815 0.242 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.896 -0.515 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.169 1.088 -1.577 1.00 0.00 H new ATOM 439 N ALA A 28 -0.005 1.050 -7.248 1.00 0.00 N ATOM 440 CA ALA A 28 -0.945 1.702 -8.160 1.00 0.00 C ATOM 441 C ALA A 28 -1.929 2.586 -7.398 1.00 0.00 C ATOM 442 O ALA A 28 -2.036 3.783 -7.668 1.00 0.00 O ATOM 443 CB ALA A 28 -1.696 0.666 -8.987 1.00 0.00 C ATOM 0 H ALA A 28 -0.004 0.031 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.370 2.337 -8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.390 1.171 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.985 0.082 -9.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.251 0.003 -8.323 1.00 0.00 H new ATOM 449 N LYS A 29 -2.648 1.996 -6.443 1.00 0.00 N ATOM 450 CA LYS A 29 -3.619 2.749 -5.650 1.00 0.00 C ATOM 451 C LYS A 29 -2.926 3.827 -4.814 1.00 0.00 C ATOM 452 O LYS A 29 -3.454 4.926 -4.650 1.00 0.00 O ATOM 453 CB LYS A 29 -4.422 1.814 -4.739 1.00 0.00 C ATOM 454 CG LYS A 29 -3.574 1.082 -3.712 1.00 0.00 C ATOM 455 CD LYS A 29 -4.425 0.191 -2.821 1.00 0.00 C ATOM 456 CE LYS A 29 -3.859 0.105 -1.413 1.00 0.00 C ATOM 457 NZ LYS A 29 -3.124 -1.170 -1.187 1.00 0.00 N ATOM 0 H LYS A 29 -2.578 1.008 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.305 3.236 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.185 2.394 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.943 1.081 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.823 0.478 -4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.038 1.806 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.442 0.580 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.482 -0.808 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.188 0.946 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.670 0.190 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.901 -1.267 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.716 -1.970 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.242 -1.164 -1.737 1.00 0.00 H new ATOM 471 N ILE A 30 -1.738 3.513 -4.295 1.00 0.00 N ATOM 472 CA ILE A 30 -0.983 4.470 -3.489 1.00 0.00 C ATOM 473 C ILE A 30 -0.354 5.562 -4.362 1.00 0.00 C ATOM 474 O ILE A 30 0.065 6.602 -3.854 1.00 0.00 O ATOM 475 CB ILE A 30 0.128 3.777 -2.670 1.00 0.00 C ATOM 476 CG1 ILE A 30 -0.459 2.642 -1.828 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.843 4.784 -1.781 1.00 0.00 C ATOM 478 CD1 ILE A 30 0.547 1.568 -1.477 1.00 0.00 C ATOM 0 H ILE A 30 -1.281 2.609 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.696 4.925 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 30 0.855 3.354 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.870 3.058 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.288 2.189 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.622 4.278 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.292 5.561 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.127 5.236 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.062 0.796 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.941 1.125 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.365 2.008 -0.906 1.00 0.00 H new ATOM 490 N GLN A 31 -0.288 5.323 -5.675 1.00 0.00 N ATOM 491 CA GLN A 31 0.291 6.294 -6.606 1.00 0.00 C ATOM 492 C GLN A 31 -0.531 7.588 -6.686 1.00 0.00 C ATOM 493 O GLN A 31 -0.079 8.569 -7.275 1.00 0.00 O ATOM 494 CB GLN A 31 0.423 5.682 -8.004 1.00 0.00 C ATOM 495 CG GLN A 31 1.536 6.298 -8.835 1.00 0.00 C ATOM 496 CD GLN A 31 2.894 6.186 -8.166 1.00 0.00 C ATOM 497 OE1 GLN A 31 3.430 7.173 -7.660 1.00 0.00 O ATOM 498 NE2 GLN A 31 3.462 4.982 -8.158 1.00 0.00 N ATOM 0 H GLN A 31 -0.627 4.468 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 31 1.278 6.551 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.603 4.611 -7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.522 5.800 -8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.573 5.807 -9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.310 7.349 -9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.985 4.190 -8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.375 4.852 -7.722 1.00 0.00 H new ATOM 507 N ASP A 32 -1.738 7.596 -6.109 1.00 0.00 N ATOM 508 CA ASP A 32 -2.591 8.785 -6.149 1.00 0.00 C ATOM 509 C ASP A 32 -1.832 10.040 -5.710 1.00 0.00 C ATOM 510 O ASP A 32 -2.092 11.131 -6.217 1.00 0.00 O ATOM 511 CB ASP A 32 -3.823 8.591 -5.259 1.00 0.00 C ATOM 512 CG ASP A 32 -4.960 9.520 -5.637 1.00 0.00 C ATOM 513 OD1 ASP A 32 -5.767 9.144 -6.512 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.043 10.624 -5.057 1.00 0.00 O ATOM 0 H ASP A 32 -2.141 6.801 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.908 8.923 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.162 7.558 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.547 8.763 -4.219 1.00 0.00 H new ATOM 519 N LYS A 33 -0.889 9.889 -4.779 1.00 0.00 N ATOM 520 CA LYS A 33 -0.107 11.028 -4.307 1.00 0.00 C ATOM 521 C LYS A 33 1.092 11.279 -5.221 1.00 0.00 C ATOM 522 O LYS A 33 1.560 12.411 -5.342 1.00 0.00 O ATOM 523 CB LYS A 33 0.363 10.809 -2.863 1.00 0.00 C ATOM 524 CG LYS A 33 1.113 9.503 -2.649 1.00 0.00 C ATOM 525 CD LYS A 33 2.262 9.675 -1.669 1.00 0.00 C ATOM 526 CE LYS A 33 1.865 9.253 -0.264 1.00 0.00 C ATOM 527 NZ LYS A 33 2.477 10.127 0.773 1.00 0.00 N ATOM 0 H LYS A 33 -0.651 8.999 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.751 11.907 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.007 11.638 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.504 10.831 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.425 8.744 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.498 9.143 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.115 9.083 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.581 10.717 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.780 9.283 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.171 8.221 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.181 9.805 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.513 10.079 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.165 11.108 0.628 1.00 0.00 H new ATOM 541 N GLU A 34 1.590 10.220 -5.863 1.00 0.00 N ATOM 542 CA GLU A 34 2.731 10.339 -6.761 1.00 0.00 C ATOM 543 C GLU A 34 3.967 10.840 -6.016 1.00 0.00 C ATOM 544 O GLU A 34 4.855 11.446 -6.618 1.00 0.00 O ATOM 545 CB GLU A 34 2.401 11.287 -7.916 1.00 0.00 C ATOM 546 CG GLU A 34 1.824 10.584 -9.134 1.00 0.00 C ATOM 547 CD GLU A 34 2.898 10.016 -10.041 1.00 0.00 C ATOM 548 OE1 GLU A 34 3.893 9.474 -9.517 1.00 0.00 O ATOM 549 OE2 GLU A 34 2.744 10.114 -11.277 1.00 0.00 O ATOM 0 H GLU A 34 1.219 9.274 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 34 2.948 9.348 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.690 12.036 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.306 11.819 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.166 9.779 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.211 11.287 -9.698 1.00 0.00 H new ATOM 556 N GLY A 35 4.027 10.589 -4.706 1.00 0.00 N ATOM 557 CA GLY A 35 5.172 11.035 -3.932 1.00 0.00 C ATOM 558 C GLY A 35 5.473 10.144 -2.737 1.00 0.00 C ATOM 559 O GLY A 35 5.924 10.631 -1.703 1.00 0.00 O ATOM 0 H GLY A 35 3.312 10.091 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.048 11.071 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.992 12.052 -3.582 1.00 0.00 H new ATOM 563 N ILE A 36 5.229 8.839 -2.875 1.00 0.00 N ATOM 564 CA ILE A 36 5.489 7.894 -1.789 1.00 0.00 C ATOM 565 C ILE A 36 6.913 7.338 -1.866 1.00 0.00 C ATOM 566 O ILE A 36 7.218 6.517 -2.731 1.00 0.00 O ATOM 567 CB ILE A 36 4.481 6.721 -1.808 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.696 5.814 -0.593 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.599 5.923 -3.100 1.00 0.00 C ATOM 570 CD1 ILE A 36 4.387 6.488 0.726 1.00 0.00 C ATOM 0 H ILE A 36 4.854 8.415 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 36 5.372 8.445 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 36 3.474 7.135 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.069 4.929 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.731 5.472 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.880 5.104 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.394 6.574 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.608 5.519 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.561 5.787 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.032 7.358 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.344 6.806 0.737 1.00 0.00 H new ATOM 582 N PRO A 37 7.815 7.777 -0.967 1.00 0.00 N ATOM 583 CA PRO A 37 9.206 7.309 -0.962 1.00 0.00 C ATOM 584 C PRO A 37 9.320 5.804 -0.711 1.00 0.00 C ATOM 585 O PRO A 37 10.001 5.098 -1.453 1.00 0.00 O ATOM 586 CB PRO A 37 9.867 8.098 0.175 1.00 0.00 C ATOM 587 CG PRO A 37 8.942 9.234 0.464 1.00 0.00 C ATOM 588 CD PRO A 37 7.563 8.761 0.100 1.00 0.00 C ATOM 0 HA PRO A 37 9.681 7.470 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.007 7.472 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.852 8.460 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.991 9.517 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.216 10.115 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.054 8.310 0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.935 9.581 -0.249 1.00 0.00 H new ATOM 596 N PRO A 38 8.653 5.285 0.341 1.00 0.00 N ATOM 597 CA PRO A 38 8.697 3.854 0.670 1.00 0.00 C ATOM 598 C PRO A 38 8.260 2.971 -0.497 1.00 0.00 C ATOM 599 O PRO A 38 7.081 2.649 -0.634 1.00 0.00 O ATOM 600 CB PRO A 38 7.708 3.720 1.832 1.00 0.00 C ATOM 601 CG PRO A 38 7.631 5.080 2.428 1.00 0.00 C ATOM 602 CD PRO A 38 7.813 6.040 1.288 1.00 0.00 C ATOM 0 HA PRO A 38 9.709 3.529 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.731 3.386 1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.053 2.988 2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.672 5.237 2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.404 5.220 3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.859 6.322 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.299 6.961 1.611 1.00 0.00 H new ATOM 610 N ASP A 39 9.218 2.576 -1.335 1.00 0.00 N ATOM 611 CA ASP A 39 8.919 1.723 -2.483 1.00 0.00 C ATOM 612 C ASP A 39 8.502 0.322 -2.032 1.00 0.00 C ATOM 613 O ASP A 39 7.622 -0.295 -2.633 1.00 0.00 O ATOM 614 CB ASP A 39 10.130 1.628 -3.416 1.00 0.00 C ATOM 615 CG ASP A 39 9.730 1.454 -4.867 1.00 0.00 C ATOM 616 OD1 ASP A 39 8.579 1.043 -5.121 1.00 0.00 O ATOM 617 OD2 ASP A 39 10.570 1.730 -5.751 1.00 0.00 O ATOM 0 H ASP A 39 10.201 2.831 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 39 8.089 2.176 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.735 2.529 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.755 0.789 -3.111 1.00 0.00 H new ATOM 622 N GLN A 40 9.134 -0.177 -0.967 1.00 0.00 N ATOM 623 CA GLN A 40 8.821 -1.500 -0.441 1.00 0.00 C ATOM 624 C GLN A 40 7.934 -1.397 0.799 1.00 0.00 C ATOM 625 O GLN A 40 8.173 -2.069 1.802 1.00 0.00 O ATOM 626 CB GLN A 40 10.109 -2.255 -0.102 1.00 0.00 C ATOM 627 CG GLN A 40 10.692 -3.022 -1.279 1.00 0.00 C ATOM 628 CD GLN A 40 12.140 -3.420 -1.057 1.00 0.00 C ATOM 629 OE1 GLN A 40 13.052 -2.809 -1.613 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.362 -4.450 -0.243 1.00 0.00 N ATOM 0 H GLN A 40 9.864 0.318 -0.455 1.00 0.00 H new ATOM 0 HA GLN A 40 8.278 -2.051 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.852 -1.545 0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.908 -2.952 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.096 -3.917 -1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.621 -2.410 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.577 -4.930 0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.317 -4.759 -0.061 1.00 0.00 H new ATOM 639 N GLN A 41 6.909 -0.551 0.724 1.00 0.00 N ATOM 640 CA GLN A 41 5.992 -0.365 1.847 1.00 0.00 C ATOM 641 C GLN A 41 4.925 -1.458 1.866 1.00 0.00 C ATOM 642 O GLN A 41 4.370 -1.811 0.826 1.00 0.00 O ATOM 643 CB GLN A 41 5.323 1.010 1.770 1.00 0.00 C ATOM 644 CG GLN A 41 5.155 1.682 3.122 1.00 0.00 C ATOM 645 CD GLN A 41 4.543 3.067 3.013 1.00 0.00 C ATOM 646 OE1 GLN A 41 4.335 3.579 1.913 1.00 0.00 O ATOM 647 NE2 GLN A 41 4.248 3.685 4.155 1.00 0.00 N ATOM 0 H GLN A 41 6.693 0.014 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 41 6.572 -0.428 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.915 1.657 1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.344 0.903 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.525 1.059 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.127 1.755 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.436 3.226 5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.834 4.617 4.138 1.00 0.00 H new ATOM 656 N ARG A 42 4.645 -1.995 3.053 1.00 0.00 N ATOM 657 CA ARG A 42 3.645 -3.050 3.195 1.00 0.00 C ATOM 658 C ARG A 42 2.844 -2.874 4.484 1.00 0.00 C ATOM 659 O ARG A 42 3.132 -1.986 5.286 1.00 0.00 O ATOM 660 CB ARG A 42 4.315 -4.429 3.189 1.00 0.00 C ATOM 661 CG ARG A 42 5.608 -4.484 2.389 1.00 0.00 C ATOM 662 CD ARG A 42 6.161 -5.899 2.318 1.00 0.00 C ATOM 663 NE ARG A 42 6.998 -6.108 1.138 1.00 0.00 N ATOM 664 CZ ARG A 42 7.918 -7.068 1.041 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.117 -7.911 2.046 1.00 0.00 N ATOM 666 NH2 ARG A 42 8.640 -7.187 -0.066 1.00 0.00 N ATOM 0 H ARG A 42 5.095 -1.718 3.926 1.00 0.00 H new ATOM 0 HA ARG A 42 2.963 -2.979 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.523 -4.725 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.616 -5.160 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.429 -4.111 1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.347 -3.826 2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.744 -6.104 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.335 -6.610 2.305 1.00 0.00 H new ATOM 0 HE ARG A 42 6.871 -5.483 0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.565 -7.827 2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.822 -8.643 1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.491 -6.544 -0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.344 -7.922 -0.139 1.00 0.00 H new ATOM 680 N LEU A 43 1.839 -3.728 4.679 1.00 0.00 N ATOM 681 CA LEU A 43 1.006 -3.663 5.873 1.00 0.00 C ATOM 682 C LEU A 43 1.308 -4.834 6.806 1.00 0.00 C ATOM 683 O LEU A 43 1.675 -5.918 6.353 1.00 0.00 O ATOM 684 CB LEU A 43 -0.477 -3.668 5.492 1.00 0.00 C ATOM 685 CG LEU A 43 -0.918 -4.845 4.619 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.313 -5.307 5.010 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.875 -4.460 3.148 1.00 0.00 C ATOM 0 H LEU A 43 1.585 -4.469 4.026 1.00 0.00 H new ATOM 0 HA LEU A 43 1.233 -2.733 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.071 -3.671 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.705 -2.740 4.967 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.226 -5.672 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.609 -6.144 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.313 -5.622 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.018 -4.486 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.191 -5.308 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.545 -3.618 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.142 -4.178 2.875 1.00 0.00 H new ATOM 699 N ILE A 44 1.154 -4.613 8.110 1.00 0.00 N ATOM 700 CA ILE A 44 1.415 -5.656 9.093 1.00 0.00 C ATOM 701 C ILE A 44 0.116 -6.296 9.577 1.00 0.00 C ATOM 702 O ILE A 44 -0.381 -5.971 10.656 1.00 0.00 O ATOM 703 CB ILE A 44 2.186 -5.105 10.309 1.00 0.00 C ATOM 704 CG1 ILE A 44 3.392 -4.284 9.847 1.00 0.00 C ATOM 705 CG2 ILE A 44 2.627 -6.242 11.217 1.00 0.00 C ATOM 706 CD1 ILE A 44 4.004 -3.440 10.945 1.00 0.00 C ATOM 0 H ILE A 44 0.851 -3.724 8.507 1.00 0.00 H new ATOM 0 HA ILE A 44 2.026 -6.410 8.596 1.00 0.00 H new ATOM 0 HB ILE A 44 1.522 -4.452 10.876 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.151 -4.959 9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.086 -3.634 9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.170 -5.836 12.071 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.751 -6.787 11.570 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.277 -6.919 10.663 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.853 -2.885 10.547 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.259 -2.740 11.324 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.341 -4.086 11.756 1.00 0.00 H new ATOM 718 N PHE A 45 -0.434 -7.206 8.774 1.00 0.00 N ATOM 719 CA PHE A 45 -1.677 -7.883 9.133 1.00 0.00 C ATOM 720 C PHE A 45 -1.739 -9.282 8.519 1.00 0.00 C ATOM 721 O PHE A 45 -1.516 -9.454 7.320 1.00 0.00 O ATOM 722 CB PHE A 45 -2.881 -7.057 8.677 1.00 0.00 C ATOM 723 CG PHE A 45 -3.971 -6.971 9.705 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.895 -7.994 9.841 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.071 -5.867 10.538 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.899 -7.919 10.789 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.072 -5.786 11.487 1.00 0.00 C ATOM 728 CZ PHE A 45 -5.987 -6.814 11.613 1.00 0.00 C ATOM 0 H PHE A 45 -0.041 -7.489 7.877 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.704 -7.985 10.218 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.547 -6.050 8.428 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.287 -7.494 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.831 -8.860 9.199 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.358 -5.061 10.444 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.613 -8.723 10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.139 -4.920 12.129 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.770 -6.753 12.355 1.00 0.00 H new ATOM 738 N ALA A 46 -2.045 -10.279 9.348 1.00 0.00 N ATOM 739 CA ALA A 46 -2.137 -11.659 8.884 1.00 0.00 C ATOM 740 C ALA A 46 -0.812 -12.145 8.291 1.00 0.00 C ATOM 741 O ALA A 46 -0.801 -13.046 7.452 1.00 0.00 O ATOM 742 CB ALA A 46 -3.254 -11.794 7.861 1.00 0.00 C ATOM 0 H ALA A 46 -2.233 -10.155 10.343 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.363 -12.286 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.314 -12.828 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.201 -11.507 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.049 -11.144 7.010 1.00 0.00 H new ATOM 748 N GLY A 47 0.303 -11.553 8.729 1.00 0.00 N ATOM 749 CA GLY A 47 1.608 -11.954 8.226 1.00 0.00 C ATOM 750 C GLY A 47 1.638 -12.113 6.715 1.00 0.00 C ATOM 751 O GLY A 47 2.243 -13.052 6.198 1.00 0.00 O ATOM 0 H GLY A 47 0.323 -10.805 9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.349 -11.212 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.897 -12.897 8.691 1.00 0.00 H new ATOM 755 N LYS A 48 0.981 -11.198 6.001 1.00 0.00 N ATOM 756 CA LYS A 48 0.942 -11.257 4.544 1.00 0.00 C ATOM 757 C LYS A 48 1.814 -10.165 3.927 1.00 0.00 C ATOM 758 O LYS A 48 1.712 -8.995 4.297 1.00 0.00 O ATOM 759 CB LYS A 48 -0.499 -11.118 4.046 1.00 0.00 C ATOM 760 CG LYS A 48 -1.231 -12.445 3.924 1.00 0.00 C ATOM 761 CD LYS A 48 -0.494 -13.406 3.004 1.00 0.00 C ATOM 762 CE LYS A 48 0.291 -14.443 3.794 1.00 0.00 C ATOM 763 NZ LYS A 48 1.505 -14.895 3.061 1.00 0.00 N ATOM 0 H LYS A 48 0.472 -10.413 6.407 1.00 0.00 H new ATOM 0 HA LYS A 48 1.335 -12.226 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.050 -10.470 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.493 -10.625 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.338 -12.895 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.237 -12.273 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.209 -13.908 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.185 -12.847 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.583 -14.022 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.348 -15.301 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.012 -15.601 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.225 -15.320 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.127 -14.081 2.884 1.00 0.00 H new ATOM 777 N GLN A 49 2.670 -10.553 2.982 1.00 0.00 N ATOM 778 CA GLN A 49 3.553 -9.601 2.316 1.00 0.00 C ATOM 779 C GLN A 49 2.876 -9.003 1.085 1.00 0.00 C ATOM 780 O GLN A 49 1.749 -9.367 0.750 1.00 0.00 O ATOM 781 CB GLN A 49 4.867 -10.279 1.915 1.00 0.00 C ATOM 782 CG GLN A 49 4.685 -11.419 0.926 1.00 0.00 C ATOM 783 CD GLN A 49 5.020 -12.775 1.528 1.00 0.00 C ATOM 784 OE1 GLN A 49 4.213 -13.702 1.474 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.213 -12.897 2.106 1.00 0.00 N ATOM 0 H GLN A 49 2.769 -11.517 2.663 1.00 0.00 H new ATOM 0 HA GLN A 49 3.772 -8.795 3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.533 -9.534 1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.358 -10.660 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.654 -11.427 0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.319 -11.245 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.852 -12.103 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.488 -13.785 2.526 1.00 0.00 H new ATOM 794 N LEU A 50 3.567 -8.083 0.411 1.00 0.00 N ATOM 795 CA LEU A 50 3.018 -7.441 -0.782 1.00 0.00 C ATOM 796 C LEU A 50 2.910 -8.423 -1.951 1.00 0.00 C ATOM 797 O LEU A 50 2.122 -8.207 -2.873 1.00 0.00 O ATOM 798 CB LEU A 50 3.877 -6.241 -1.196 1.00 0.00 C ATOM 799 CG LEU A 50 3.561 -4.930 -0.471 1.00 0.00 C ATOM 800 CD1 LEU A 50 4.356 -3.785 -1.077 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.070 -4.632 -0.529 1.00 0.00 C ATOM 0 H LEU A 50 4.502 -7.768 0.669 1.00 0.00 H new ATOM 0 HA LEU A 50 2.015 -7.096 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.925 -6.489 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.758 -6.082 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 50 3.849 -5.037 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.120 -2.860 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.422 -3.993 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.097 -3.679 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.865 -3.697 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.757 -4.544 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.518 -5.441 -0.051 1.00 0.00 H new ATOM 813 N GLU A 51 3.698 -9.501 -1.919 1.00 0.00 N ATOM 814 CA GLU A 51 3.670 -10.495 -2.992 1.00 0.00 C ATOM 815 C GLU A 51 2.644 -11.605 -2.727 1.00 0.00 C ATOM 816 O GLU A 51 2.817 -12.731 -3.194 1.00 0.00 O ATOM 817 CB GLU A 51 5.059 -11.111 -3.178 1.00 0.00 C ATOM 818 CG GLU A 51 5.460 -11.285 -4.633 1.00 0.00 C ATOM 819 CD GLU A 51 6.683 -10.469 -5.004 1.00 0.00 C ATOM 820 OE1 GLU A 51 6.671 -9.242 -4.771 1.00 0.00 O ATOM 821 OE2 GLU A 51 7.653 -11.057 -5.527 1.00 0.00 O ATOM 0 H GLU A 51 4.357 -9.706 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 51 3.371 -9.977 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.796 -10.481 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.085 -12.083 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.659 -12.339 -4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.627 -10.995 -5.273 1.00 0.00 H new ATOM 828 N ASP A 52 1.575 -11.296 -1.987 1.00 0.00 N ATOM 829 CA ASP A 52 0.541 -12.287 -1.685 1.00 0.00 C ATOM 830 C ASP A 52 0.113 -13.036 -2.946 1.00 0.00 C ATOM 831 O ASP A 52 0.081 -14.267 -2.965 1.00 0.00 O ATOM 832 CB ASP A 52 -0.678 -11.616 -1.045 1.00 0.00 C ATOM 833 CG ASP A 52 -1.615 -12.618 -0.400 1.00 0.00 C ATOM 834 OD1 ASP A 52 -1.721 -13.751 -0.918 1.00 0.00 O ATOM 835 OD2 ASP A 52 -2.245 -12.271 0.621 1.00 0.00 O ATOM 0 H ASP A 52 1.404 -10.373 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 52 0.965 -13.003 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.343 -10.900 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.220 -11.052 -1.804 1.00 0.00 H new ATOM 840 N GLY A 53 -0.217 -12.288 -3.999 1.00 0.00 N ATOM 841 CA GLY A 53 -0.641 -12.906 -5.241 1.00 0.00 C ATOM 842 C GLY A 53 -2.147 -12.856 -5.445 1.00 0.00 C ATOM 843 O GLY A 53 -2.624 -12.933 -6.576 1.00 0.00 O ATOM 0 H GLY A 53 -0.198 -11.268 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.150 -12.406 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.312 -13.945 -5.254 1.00 0.00 H new ATOM 847 N ARG A 54 -2.903 -12.729 -4.351 1.00 0.00 N ATOM 848 CA ARG A 54 -4.358 -12.674 -4.434 1.00 0.00 C ATOM 849 C ARG A 54 -4.865 -11.257 -4.164 1.00 0.00 C ATOM 850 O ARG A 54 -4.073 -10.331 -3.991 1.00 0.00 O ATOM 851 CB ARG A 54 -4.980 -13.654 -3.436 1.00 0.00 C ATOM 852 CG ARG A 54 -4.437 -15.069 -3.556 1.00 0.00 C ATOM 853 CD ARG A 54 -5.555 -16.085 -3.739 1.00 0.00 C ATOM 854 NE ARG A 54 -5.294 -17.334 -3.025 1.00 0.00 N ATOM 855 CZ ARG A 54 -5.903 -18.487 -3.304 1.00 0.00 C ATOM 856 NH1 ARG A 54 -6.804 -18.550 -4.277 1.00 0.00 N ATOM 857 NH2 ARG A 54 -5.611 -19.578 -2.608 1.00 0.00 N ATOM 0 H ARG A 54 -2.530 -12.663 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.654 -12.958 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.803 -13.290 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.060 -13.674 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.751 -15.126 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.863 -15.316 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.493 -15.657 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.681 -16.296 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.607 -17.323 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.033 -17.714 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.267 -19.434 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.920 -19.535 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.077 -20.460 -2.822 1.00 0.00 H new ATOM 871 N THR A 55 -6.188 -11.092 -4.129 1.00 0.00 N ATOM 872 CA THR A 55 -6.785 -9.787 -3.877 1.00 0.00 C ATOM 873 C THR A 55 -7.160 -9.639 -2.405 1.00 0.00 C ATOM 874 O THR A 55 -7.448 -10.625 -1.727 1.00 0.00 O ATOM 875 CB THR A 55 -8.023 -9.591 -4.754 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.756 -9.977 -6.091 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.519 -8.162 -4.780 1.00 0.00 C ATOM 0 H THR A 55 -6.861 -11.845 -4.272 1.00 0.00 H new ATOM 0 HA THR A 55 -6.049 -9.022 -4.126 1.00 0.00 H new ATOM 0 HB THR A 55 -8.795 -10.218 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.224 -9.374 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.399 -8.094 -5.420 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.781 -7.849 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.735 -7.512 -5.169 1.00 0.00 H new ATOM 885 N LEU A 56 -7.156 -8.401 -1.912 1.00 0.00 N ATOM 886 CA LEU A 56 -7.497 -8.132 -0.516 1.00 0.00 C ATOM 887 C LEU A 56 -8.857 -8.732 -0.156 1.00 0.00 C ATOM 888 O LEU A 56 -9.018 -9.336 0.905 1.00 0.00 O ATOM 889 CB LEU A 56 -7.508 -6.622 -0.249 1.00 0.00 C ATOM 890 CG LEU A 56 -6.179 -5.907 -0.494 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.418 -4.460 -0.896 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.299 -5.979 0.745 1.00 0.00 C ATOM 0 H LEU A 56 -6.921 -7.571 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.737 -8.600 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.270 -6.164 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.807 -6.455 0.786 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.663 -6.410 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.461 -3.967 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.010 -4.430 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.955 -3.945 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.357 -5.465 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.809 -5.501 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.100 -7.022 0.990 1.00 0.00 H new ATOM 904 N SER A 57 -9.836 -8.559 -1.042 1.00 0.00 N ATOM 905 CA SER A 57 -11.182 -9.079 -0.806 1.00 0.00 C ATOM 906 C SER A 57 -11.159 -10.571 -0.467 1.00 0.00 C ATOM 907 O SER A 57 -11.718 -10.990 0.546 1.00 0.00 O ATOM 908 CB SER A 57 -12.070 -8.838 -2.032 1.00 0.00 C ATOM 909 OG SER A 57 -13.209 -9.682 -2.015 1.00 0.00 O ATOM 0 H SER A 57 -9.723 -8.065 -1.927 1.00 0.00 H new ATOM 0 HA SER A 57 -11.594 -8.544 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.387 -7.795 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.496 -9.017 -2.941 1.00 0.00 H new ATOM 0 HG SER A 57 -13.758 -9.506 -2.807 1.00 0.00 H new ATOM 915 N ASP A 58 -10.520 -11.373 -1.320 1.00 0.00 N ATOM 916 CA ASP A 58 -10.448 -12.818 -1.096 1.00 0.00 C ATOM 917 C ASP A 58 -9.658 -13.174 0.169 1.00 0.00 C ATOM 918 O ASP A 58 -9.783 -14.285 0.683 1.00 0.00 O ATOM 919 CB ASP A 58 -9.830 -13.524 -2.308 1.00 0.00 C ATOM 920 CG ASP A 58 -8.403 -13.089 -2.570 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.594 -13.097 -1.619 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.094 -12.743 -3.729 1.00 0.00 O ATOM 0 H ASP A 58 -10.049 -11.051 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.472 -13.165 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.854 -14.602 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.436 -13.320 -3.191 1.00 0.00 H new ATOM 927 N TYR A 59 -8.839 -12.245 0.672 1.00 0.00 N ATOM 928 CA TYR A 59 -8.044 -12.509 1.870 1.00 0.00 C ATOM 929 C TYR A 59 -8.700 -11.943 3.136 1.00 0.00 C ATOM 930 O TYR A 59 -8.005 -11.564 4.078 1.00 0.00 O ATOM 931 CB TYR A 59 -6.638 -11.927 1.712 1.00 0.00 C ATOM 932 CG TYR A 59 -5.542 -12.853 2.188 1.00 0.00 C ATOM 933 CD1 TYR A 59 -5.311 -13.049 3.544 1.00 0.00 C ATOM 934 CD2 TYR A 59 -4.739 -13.535 1.282 1.00 0.00 C ATOM 935 CE1 TYR A 59 -4.312 -13.896 3.983 1.00 0.00 C ATOM 936 CE2 TYR A 59 -3.738 -14.383 1.713 1.00 0.00 C ATOM 937 CZ TYR A 59 -3.528 -14.560 3.064 1.00 0.00 C ATOM 938 OH TYR A 59 -2.532 -15.405 3.497 1.00 0.00 O ATOM 0 H TYR A 59 -8.711 -11.315 0.272 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.983 -13.591 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.469 -11.687 0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.577 -10.991 2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.923 -12.530 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.900 -13.400 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.146 -14.037 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.123 -14.905 0.995 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.236 -15.970 2.753 1.00 0.00 H new ATOM 948 N ASN A 60 -10.035 -11.895 3.162 1.00 0.00 N ATOM 949 CA ASN A 60 -10.773 -11.385 4.322 1.00 0.00 C ATOM 950 C ASN A 60 -10.554 -9.881 4.576 1.00 0.00 C ATOM 951 O ASN A 60 -11.333 -9.267 5.305 1.00 0.00 O ATOM 952 CB ASN A 60 -10.390 -12.177 5.575 1.00 0.00 C ATOM 953 CG ASN A 60 -11.386 -13.279 5.889 1.00 0.00 C ATOM 954 OD1 ASN A 60 -11.167 -14.442 5.551 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.492 -12.921 6.540 1.00 0.00 N ATOM 0 H ASN A 60 -10.628 -12.204 2.392 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.831 -11.516 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.401 -12.613 5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.324 -11.498 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.194 -13.622 6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.636 -11.946 6.803 1.00 0.00 H new ATOM 962 N ILE A 61 -9.516 -9.281 3.989 1.00 0.00 N ATOM 963 CA ILE A 61 -9.257 -7.857 4.188 1.00 0.00 C ATOM 964 C ILE A 61 -9.992 -7.017 3.141 1.00 0.00 C ATOM 965 O ILE A 61 -9.368 -6.325 2.336 1.00 0.00 O ATOM 966 CB ILE A 61 -7.743 -7.545 4.144 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.489 -6.056 4.398 1.00 0.00 C ATOM 968 CG2 ILE A 61 -7.143 -7.970 2.812 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.842 -5.775 5.738 1.00 0.00 C ATOM 0 H ILE A 61 -8.849 -9.754 3.379 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.632 -7.596 5.178 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.256 -8.115 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.851 -5.664 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.436 -5.519 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.077 -7.741 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.285 -9.042 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.636 -7.432 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.691 -4.701 5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.489 -6.137 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.880 -6.284 5.791 1.00 0.00 H new ATOM 981 N GLN A 62 -11.323 -7.086 3.156 1.00 0.00 N ATOM 982 CA GLN A 62 -12.141 -6.336 2.206 1.00 0.00 C ATOM 983 C GLN A 62 -12.607 -5.007 2.811 1.00 0.00 C ATOM 984 O GLN A 62 -12.100 -4.585 3.848 1.00 0.00 O ATOM 985 CB GLN A 62 -13.343 -7.183 1.769 1.00 0.00 C ATOM 986 CG GLN A 62 -14.437 -7.291 2.821 1.00 0.00 C ATOM 987 CD GLN A 62 -15.264 -8.557 2.677 1.00 0.00 C ATOM 988 OE1 GLN A 62 -15.645 -8.938 1.571 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.547 -9.219 3.798 1.00 0.00 N ATOM 0 H GLN A 62 -11.856 -7.653 3.815 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.533 -6.107 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.767 -6.753 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.996 -8.185 1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.986 -7.267 3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.093 -6.423 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.212 -8.869 4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.099 -10.076 3.759 1.00 0.00 H new ATOM 998 N LYS A 63 -13.568 -4.346 2.153 1.00 0.00 N ATOM 999 CA LYS A 63 -14.091 -3.060 2.627 1.00 0.00 C ATOM 1000 C LYS A 63 -14.248 -3.034 4.149 1.00 0.00 C ATOM 1001 O LYS A 63 -14.613 -4.036 4.763 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.439 -2.754 1.969 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.365 -2.641 0.454 1.00 0.00 C ATOM 1004 CD LYS A 63 -15.930 -3.877 -0.227 1.00 0.00 C ATOM 1005 CE LYS A 63 -15.105 -4.270 -1.442 1.00 0.00 C ATOM 1006 NZ LYS A 63 -15.892 -5.083 -2.410 1.00 0.00 N ATOM 0 H LYS A 63 -13.998 -4.681 1.291 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.366 -2.296 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.149 -3.538 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.829 -1.821 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.917 -1.760 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.328 -2.499 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.954 -4.705 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.960 -3.688 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.738 -3.371 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.231 -4.836 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.293 -5.330 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.221 -5.953 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.712 -4.534 -2.738 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.965 -1.876 4.750 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.071 -1.708 6.198 1.00 0.00 C ATOM 1022 C GLU A 64 -13.055 -2.573 6.953 1.00 0.00 C ATOM 1023 O GLU A 64 -13.186 -2.774 8.160 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.486 -2.048 6.668 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.841 -1.450 8.020 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.342 -0.023 7.912 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.175 0.248 7.023 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -15.900 0.823 8.718 1.00 0.00 O ATOM 0 H GLU A 64 -13.660 -1.039 4.253 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.851 -0.664 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.201 -1.694 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.591 -3.132 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.605 -2.065 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.964 -1.475 8.666 1.00 0.00 H new ATOM 1035 N SER A 65 -12.039 -3.080 6.250 1.00 0.00 N ATOM 1036 CA SER A 65 -11.016 -3.908 6.883 1.00 0.00 C ATOM 1037 C SER A 65 -10.041 -3.053 7.687 1.00 0.00 C ATOM 1038 O SER A 65 -10.114 -1.824 7.661 1.00 0.00 O ATOM 1039 CB SER A 65 -10.253 -4.716 5.831 1.00 0.00 C ATOM 1040 OG SER A 65 -9.892 -3.902 4.728 1.00 0.00 O ATOM 0 H SER A 65 -11.905 -2.932 5.250 1.00 0.00 H new ATOM 0 HA SER A 65 -11.517 -4.595 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.357 -5.147 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.870 -5.547 5.488 1.00 0.00 H new ATOM 0 HG SER A 65 -10.619 -3.901 4.071 1.00 0.00 H new ATOM 1046 N THR A 66 -9.119 -3.707 8.390 1.00 0.00 N ATOM 1047 CA THR A 66 -8.122 -3.002 9.184 1.00 0.00 C ATOM 1048 C THR A 66 -6.762 -3.055 8.491 1.00 0.00 C ATOM 1049 O THR A 66 -5.995 -3.998 8.686 1.00 0.00 O ATOM 1050 CB THR A 66 -8.022 -3.615 10.583 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.403 -4.978 10.561 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.888 -2.914 11.607 1.00 0.00 C ATOM 0 H THR A 66 -9.044 -4.724 8.424 1.00 0.00 H new ATOM 0 HA THR A 66 -8.429 -1.961 9.280 1.00 0.00 H new ATOM 0 HB THR A 66 -6.978 -3.501 10.874 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.654 -5.532 10.867 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.770 -3.398 12.576 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.587 -1.869 11.684 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.932 -2.969 11.299 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.473 -2.048 7.668 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.209 -2.000 6.940 1.00 0.00 C ATOM 1062 C LEU A 67 -4.198 -1.094 7.638 1.00 0.00 C ATOM 1063 O LEU A 67 -4.347 0.128 7.647 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.441 -1.513 5.507 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.663 -2.620 4.474 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.149 -2.865 4.263 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.988 -2.263 3.157 1.00 0.00 C ATOM 0 H LEU A 67 -7.094 -1.259 7.490 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.800 -3.010 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.307 -0.852 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.582 -0.916 5.199 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.215 -3.539 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.286 -3.655 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.606 -3.166 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.622 -1.950 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.156 -3.061 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.407 -1.332 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.917 -2.139 3.319 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.162 -1.701 8.217 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.122 -0.948 8.907 1.00 0.00 C ATOM 1081 C HIS A 68 -0.835 -0.937 8.084 1.00 0.00 C ATOM 1082 O HIS A 68 -0.057 -1.890 8.125 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.859 -1.550 10.290 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.867 -0.540 11.394 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.720 -0.091 12.014 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -2.894 0.112 11.992 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -1.040 0.791 12.944 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -2.352 0.933 12.950 1.00 0.00 N ATOM 0 H HIS A 68 -3.023 -2.712 8.220 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.464 0.079 9.031 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.614 -2.308 10.497 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.894 -2.056 10.279 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.943 0.006 11.758 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.346 1.308 13.590 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.878 1.552 13.566 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.617 0.140 7.332 1.00 0.00 N ATOM 1098 CA LEU A 69 0.576 0.258 6.499 1.00 0.00 C ATOM 1099 C LEU A 69 1.689 1.002 7.236 1.00 0.00 C ATOM 1100 O LEU A 69 1.469 2.086 7.778 1.00 0.00 O ATOM 1101 CB LEU A 69 0.244 0.980 5.191 1.00 0.00 C ATOM 1102 CG LEU A 69 0.996 0.470 3.961 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.241 -0.681 3.313 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.210 1.597 2.962 1.00 0.00 C ATOM 0 H LEU A 69 -1.248 0.940 7.283 1.00 0.00 H new ATOM 0 HA LEU A 69 0.927 -0.749 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.827 0.891 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.459 2.041 5.315 1.00 0.00 H new ATOM 0 HG LEU A 69 1.971 0.104 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.791 -1.031 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.138 -1.497 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.748 -0.341 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.747 1.216 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.244 1.993 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.793 2.391 3.429 1.00 0.00 H new ATOM 1116 N VAL A 70 2.884 0.414 7.251 1.00 0.00 N ATOM 1117 CA VAL A 70 4.027 1.025 7.919 1.00 0.00 C ATOM 1118 C VAL A 70 5.104 1.419 6.909 1.00 0.00 C ATOM 1119 O VAL A 70 5.212 0.816 5.842 1.00 0.00 O ATOM 1120 CB VAL A 70 4.636 0.074 8.968 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.142 -1.200 8.309 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.753 0.767 9.736 1.00 0.00 C ATOM 0 H VAL A 70 3.084 -0.483 6.809 1.00 0.00 H new ATOM 0 HA VAL A 70 3.663 1.920 8.423 1.00 0.00 H new ATOM 0 HB VAL A 70 3.855 -0.199 9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.568 -1.857 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.314 -1.707 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.907 -0.950 7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.170 0.079 10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.535 1.074 9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.354 1.645 10.245 1.00 0.00 H new ATOM 1132 N LEU A 71 5.899 2.432 7.250 1.00 0.00 N ATOM 1133 CA LEU A 71 6.964 2.894 6.361 1.00 0.00 C ATOM 1134 C LEU A 71 8.161 1.946 6.409 1.00 0.00 C ATOM 1135 O LEU A 71 8.614 1.561 7.487 1.00 0.00 O ATOM 1136 CB LEU A 71 7.404 4.312 6.738 1.00 0.00 C ATOM 1137 CG LEU A 71 8.122 4.431 8.083 1.00 0.00 C ATOM 1138 CD1 LEU A 71 9.598 4.085 7.937 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.952 5.832 8.654 1.00 0.00 C ATOM 0 H LEU A 71 5.827 2.945 8.129 1.00 0.00 H new ATOM 0 HA LEU A 71 6.571 2.906 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.063 4.691 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.525 4.956 6.754 1.00 0.00 H new ATOM 0 HG LEU A 71 7.674 3.720 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.091 4.176 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.698 3.062 7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.064 4.769 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.469 5.900 9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.373 6.561 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.892 6.040 8.799 1.00 0.00 H new