USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 LYS NZ :NH3+ 179:sc= 0.0218 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0.0228 USER MOD Set 2.1: A 8 TYR OH : rot -169:sc= 0.689 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.439 K(o=0.25,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.744 K(o=0.74,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.696 K(o=0.7,f=-3.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -83:sc= 0.472 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.824 K(o=-0.82,f=-4.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.38) USER MOD Single : A 52 SER OG : rot -46:sc= 0.656 USER MOD Single : A 53 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 56 TYR OH : rot -57:sc= 0.0208 USER MOD Single : A 57 MET CE :methyl 170:sc= -2.76 (180deg=-3.93!) USER MOD Single : A 60 ASN : amide:sc= 0.845 K(o=0.84,f=-2.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0.446 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 1.13 (180deg=1.11) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.693 -19.630 -7.581 1.00 0.00 N ATOM 2 CA GLY A 1 -13.907 -18.178 -7.515 1.00 0.00 C ATOM 3 C GLY A 1 -12.811 -17.456 -8.252 1.00 0.00 C ATOM 4 O GLY A 1 -12.787 -17.561 -9.476 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.456 -20.117 -7.069 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.693 -19.936 -8.575 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.778 -19.866 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.874 -17.926 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.930 -17.854 -6.475 1.00 0.00 H new ATOM 8 N ALA A 2 -11.926 -16.738 -7.558 1.00 0.00 N ATOM 9 CA ALA A 2 -10.609 -16.383 -8.078 1.00 0.00 C ATOM 10 C ALA A 2 -9.609 -17.451 -7.619 1.00 0.00 C ATOM 11 O ALA A 2 -9.947 -18.259 -6.751 1.00 0.00 O ATOM 12 CB ALA A 2 -10.202 -15.000 -7.557 1.00 0.00 C ATOM 0 H ALA A 2 -12.105 -16.387 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.626 -16.342 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.218 -14.739 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.931 -14.259 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.167 -15.017 -6.468 1.00 0.00 H new ATOM 18 N ALA A 3 -8.380 -17.462 -8.146 1.00 0.00 N ATOM 19 CA ALA A 3 -7.294 -18.317 -7.647 1.00 0.00 C ATOM 20 C ALA A 3 -5.904 -17.668 -7.757 1.00 0.00 C ATOM 21 O ALA A 3 -4.892 -18.350 -7.592 1.00 0.00 O ATOM 22 CB ALA A 3 -7.358 -19.695 -8.323 1.00 0.00 C ATOM 0 H ALA A 3 -8.108 -16.875 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.449 -18.451 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.550 -20.322 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.316 -20.165 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.254 -19.576 -9.402 1.00 0.00 H new ATOM 28 N GLY A 4 -5.844 -16.361 -8.022 1.00 0.00 N ATOM 29 CA GLY A 4 -4.604 -15.612 -8.143 1.00 0.00 C ATOM 30 C GLY A 4 -4.445 -14.717 -6.936 1.00 0.00 C ATOM 31 O GLY A 4 -4.237 -15.157 -5.818 1.00 0.00 O ATOM 0 H GLY A 4 -6.676 -15.788 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.758 -16.295 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.613 -15.015 -9.055 1.00 0.00 H new ATOM 35 N ILE A 5 -4.670 -13.435 -7.144 1.00 0.00 N ATOM 36 CA ILE A 5 -4.454 -12.404 -6.138 1.00 0.00 C ATOM 37 C ILE A 5 -5.747 -11.684 -5.780 1.00 0.00 C ATOM 38 O ILE A 5 -5.850 -11.099 -4.707 1.00 0.00 O ATOM 39 CB ILE A 5 -3.352 -11.424 -6.567 1.00 0.00 C ATOM 40 CG1 ILE A 5 -3.667 -10.637 -7.843 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.010 -12.150 -6.704 1.00 0.00 C ATOM 42 CD1 ILE A 5 -2.787 -9.390 -7.934 1.00 0.00 C ATOM 0 H ILE A 5 -5.014 -13.070 -8.032 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.109 -12.901 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.294 -10.683 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.504 -11.269 -8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.718 -10.349 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.241 -11.440 -7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.736 -12.592 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.096 -12.935 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.024 -8.843 -8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.971 -8.751 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.738 -9.685 -7.950 1.00 0.00 H new ATOM 54 N ASP A 6 -6.757 -11.748 -6.649 1.00 0.00 N ATOM 55 CA ASP A 6 -8.004 -11.007 -6.472 1.00 0.00 C ATOM 56 C ASP A 6 -8.820 -11.540 -5.290 1.00 0.00 C ATOM 57 O ASP A 6 -9.698 -10.849 -4.783 1.00 0.00 O ATOM 58 CB ASP A 6 -8.802 -11.067 -7.774 1.00 0.00 C ATOM 59 CG ASP A 6 -9.690 -9.827 -7.961 1.00 0.00 C ATOM 60 OD1 ASP A 6 -9.132 -8.715 -8.150 1.00 0.00 O ATOM 61 OD2 ASP A 6 -10.927 -9.990 -8.014 1.00 0.00 O ATOM 0 H ASP A 6 -6.732 -12.316 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.770 -9.968 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.116 -11.152 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.424 -11.962 -7.778 1.00 0.00 H new ATOM 66 N GLN A 7 -8.479 -12.744 -4.815 1.00 0.00 N ATOM 67 CA GLN A 7 -8.987 -13.340 -3.580 1.00 0.00 C ATOM 68 C GLN A 7 -8.540 -12.573 -2.328 1.00 0.00 C ATOM 69 O GLN A 7 -9.176 -12.696 -1.281 1.00 0.00 O ATOM 70 CB GLN A 7 -8.538 -14.809 -3.492 1.00 0.00 C ATOM 71 CG GLN A 7 -7.040 -14.986 -3.198 1.00 0.00 C ATOM 72 CD GLN A 7 -6.627 -16.437 -3.393 1.00 0.00 C ATOM 73 OE1 GLN A 7 -6.899 -17.292 -2.560 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.010 -16.723 -4.527 1.00 0.00 N ATOM 0 H GLN A 7 -7.817 -13.350 -5.300 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.075 -13.284 -3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.113 -15.308 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.775 -15.308 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.456 -14.344 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.825 -14.675 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.801 -15.981 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.743 -17.685 -4.734 1.00 0.00 H new ATOM 83 N TYR A 8 -7.451 -11.801 -2.421 1.00 0.00 N ATOM 84 CA TYR A 8 -6.919 -10.979 -1.341 1.00 0.00 C ATOM 85 C TYR A 8 -7.251 -9.494 -1.541 1.00 0.00 C ATOM 86 O TYR A 8 -6.791 -8.685 -0.742 1.00 0.00 O ATOM 87 CB TYR A 8 -5.395 -11.177 -1.203 1.00 0.00 C ATOM 88 CG TYR A 8 -4.859 -12.603 -1.161 1.00 0.00 C ATOM 89 CD1 TYR A 8 -4.698 -13.281 0.056 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.404 -13.211 -2.340 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.124 -14.572 0.076 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.838 -14.497 -2.338 1.00 0.00 C ATOM 93 CZ TYR A 8 -3.722 -15.210 -1.123 1.00 0.00 C ATOM 94 OH TYR A 8 -3.205 -16.479 -1.126 1.00 0.00 O ATOM 0 H TYR A 8 -6.903 -11.733 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.399 -11.304 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.915 -10.664 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.074 -10.673 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.013 -12.816 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.491 -12.676 -3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.990 -15.080 1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.493 -14.939 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.826 -16.676 -2.008 1.00 0.00 H new ATOM 104 N ALA A 9 -7.964 -9.105 -2.606 1.00 0.00 N ATOM 105 CA ALA A 9 -8.263 -7.705 -2.897 1.00 0.00 C ATOM 106 C ALA A 9 -9.432 -7.239 -2.027 1.00 0.00 C ATOM 107 O ALA A 9 -10.577 -7.675 -2.193 1.00 0.00 O ATOM 108 CB ALA A 9 -8.349 -7.464 -4.420 1.00 0.00 C ATOM 0 H ALA A 9 -8.349 -9.757 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.446 -7.044 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.573 -6.414 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.397 -7.722 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.138 -8.085 -4.843 1.00 0.00 H new ATOM 114 N LEU A 10 -9.119 -6.417 -1.019 1.00 0.00 N ATOM 115 CA LEU A 10 -10.174 -6.025 -0.079 1.00 0.00 C ATOM 116 C LEU A 10 -11.055 -5.052 -0.885 1.00 0.00 C ATOM 117 O LEU A 10 -10.972 -4.884 -2.109 1.00 0.00 O ATOM 118 CB LEU A 10 -9.807 -5.441 1.310 1.00 0.00 C ATOM 119 CG LEU A 10 -8.842 -6.315 2.062 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.512 -5.967 1.406 1.00 0.00 C ATOM 121 CD2 LEU A 10 -8.827 -6.218 3.582 1.00 0.00 C ATOM 0 H LEU A 10 -8.194 -6.027 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.652 -6.946 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.371 -4.450 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.715 -5.315 1.900 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.131 -7.363 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.714 -6.546 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.558 -6.202 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.310 -4.903 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.082 -6.906 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.578 -5.199 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.810 -6.480 3.973 1.00 0.00 H new ATOM 133 N LYS A 11 -11.846 -4.287 -0.171 1.00 0.00 N ATOM 134 CA LYS A 11 -12.597 -3.127 -0.667 1.00 0.00 C ATOM 135 C LYS A 11 -12.457 -1.957 0.310 1.00 0.00 C ATOM 136 O LYS A 11 -12.713 -0.811 -0.059 1.00 0.00 O ATOM 137 CB LYS A 11 -14.083 -3.516 -0.900 1.00 0.00 C ATOM 138 CG LYS A 11 -14.655 -4.346 0.251 1.00 0.00 C ATOM 139 CD LYS A 11 -16.094 -4.804 0.040 1.00 0.00 C ATOM 140 CE LYS A 11 -17.071 -3.688 0.406 1.00 0.00 C ATOM 141 NZ LYS A 11 -18.436 -4.227 0.475 1.00 0.00 N ATOM 0 H LYS A 11 -12.000 -4.454 0.823 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.187 -2.807 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.678 -2.611 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.167 -4.081 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.025 -5.223 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.604 -3.758 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.240 -5.096 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.294 -5.685 0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.794 -3.249 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.022 -2.891 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.098 -3.465 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.699 -4.626 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.479 -4.973 1.199 1.00 0.00 H new ATOM 155 N GLU A 12 -12.022 -2.233 1.535 1.00 0.00 N ATOM 156 CA GLU A 12 -11.970 -1.257 2.623 1.00 0.00 C ATOM 157 C GLU A 12 -11.095 -1.847 3.706 1.00 0.00 C ATOM 158 O GLU A 12 -10.699 -3.013 3.596 1.00 0.00 O ATOM 159 CB GLU A 12 -13.392 -0.912 3.124 1.00 0.00 C ATOM 160 CG GLU A 12 -14.180 -2.072 3.762 1.00 0.00 C ATOM 161 CD GLU A 12 -15.679 -1.774 3.839 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.375 -1.765 2.805 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.182 -1.489 4.947 1.00 0.00 O ATOM 0 H GLU A 12 -11.689 -3.158 1.807 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.544 -0.312 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.314 -0.107 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.969 -0.525 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.021 -2.981 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.796 -2.263 4.764 1.00 0.00 H new ATOM 170 N PHE A 13 -10.755 -1.044 4.711 1.00 0.00 N ATOM 171 CA PHE A 13 -10.051 -1.493 5.896 1.00 0.00 C ATOM 172 C PHE A 13 -10.205 -0.455 7.004 1.00 0.00 C ATOM 173 O PHE A 13 -10.656 0.673 6.772 1.00 0.00 O ATOM 174 CB PHE A 13 -8.565 -1.721 5.573 1.00 0.00 C ATOM 175 CG PHE A 13 -7.801 -0.495 5.102 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.920 -0.042 3.770 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.842 0.094 5.947 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.108 1.007 3.302 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.032 1.141 5.477 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.171 1.608 4.160 1.00 0.00 C ATOM 0 H PHE A 13 -10.967 -0.046 4.719 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.477 -2.437 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.074 -2.113 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.492 -2.490 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.638 -0.503 3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.728 -0.260 6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.205 1.351 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.299 1.589 6.132 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.560 2.426 3.808 1.00 0.00 H new ATOM 190 N THR A 14 -9.736 -0.817 8.190 1.00 0.00 N ATOM 191 CA THR A 14 -9.383 0.135 9.229 1.00 0.00 C ATOM 192 C THR A 14 -7.871 0.054 9.379 1.00 0.00 C ATOM 193 O THR A 14 -7.297 -1.037 9.317 1.00 0.00 O ATOM 194 CB THR A 14 -10.102 -0.161 10.563 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.272 -0.935 10.356 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.486 1.143 11.282 1.00 0.00 C ATOM 0 H THR A 14 -9.589 -1.790 8.459 1.00 0.00 H new ATOM 0 HA THR A 14 -9.701 1.140 8.953 1.00 0.00 H new ATOM 0 HB THR A 14 -9.406 -0.726 11.183 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.706 -1.109 11.217 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.991 0.907 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.586 1.722 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.153 1.726 10.647 1.00 0.00 H new ATOM 204 N ALA A 15 -7.224 1.193 9.588 1.00 0.00 N ATOM 205 CA ALA A 15 -5.891 1.245 10.155 1.00 0.00 C ATOM 206 C ALA A 15 -5.850 2.455 11.069 1.00 0.00 C ATOM 207 O ALA A 15 -6.436 3.481 10.751 1.00 0.00 O ATOM 208 CB ALA A 15 -4.822 1.332 9.066 1.00 0.00 C ATOM 0 H ALA A 15 -7.615 2.109 9.367 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.676 0.334 10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.835 1.369 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.888 0.456 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.980 2.233 8.473 1.00 0.00 H new ATOM 214 N ASP A 16 -5.155 2.350 12.201 1.00 0.00 N ATOM 215 CA ASP A 16 -4.853 3.484 13.089 1.00 0.00 C ATOM 216 C ASP A 16 -6.084 4.286 13.523 1.00 0.00 C ATOM 217 O ASP A 16 -6.016 5.485 13.777 1.00 0.00 O ATOM 218 CB ASP A 16 -3.795 4.378 12.437 1.00 0.00 C ATOM 219 CG ASP A 16 -2.723 4.726 13.462 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.043 3.769 13.902 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.597 5.919 13.819 1.00 0.00 O ATOM 0 H ASP A 16 -4.778 1.464 12.537 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.459 3.066 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.347 3.867 11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.258 5.288 12.055 1.00 0.00 H new ATOM 226 N PHE A 17 -7.209 3.575 13.627 1.00 0.00 N ATOM 227 CA PHE A 17 -8.548 4.040 13.979 1.00 0.00 C ATOM 228 C PHE A 17 -9.212 4.903 12.902 1.00 0.00 C ATOM 229 O PHE A 17 -10.280 5.469 13.132 1.00 0.00 O ATOM 230 CB PHE A 17 -8.551 4.734 15.354 1.00 0.00 C ATOM 231 CG PHE A 17 -7.746 4.043 16.441 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.277 2.949 17.145 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.450 4.495 16.750 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.511 2.317 18.140 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.692 3.878 17.754 1.00 0.00 C ATOM 236 CZ PHE A 17 -6.227 2.791 18.453 1.00 0.00 C ATOM 0 H PHE A 17 -7.203 2.570 13.451 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.167 3.145 14.045 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.167 5.746 15.231 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.583 4.824 15.693 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.272 2.594 16.922 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.033 5.330 16.206 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.912 1.463 18.666 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.701 4.239 17.987 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.652 2.316 19.234 1.00 0.00 H new ATOM 246 N THR A 18 -8.653 4.900 11.701 1.00 0.00 N ATOM 247 CA THR A 18 -9.164 5.584 10.532 1.00 0.00 C ATOM 248 C THR A 18 -9.774 4.530 9.600 1.00 0.00 C ATOM 249 O THR A 18 -9.180 3.473 9.362 1.00 0.00 O ATOM 250 CB THR A 18 -8.026 6.374 9.858 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.316 7.217 10.751 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.588 7.264 8.750 1.00 0.00 C ATOM 0 H THR A 18 -7.788 4.394 11.510 1.00 0.00 H new ATOM 0 HA THR A 18 -9.937 6.305 10.797 1.00 0.00 H new ATOM 0 HB THR A 18 -7.339 5.622 9.470 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.608 7.688 10.263 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.775 7.818 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.084 6.645 8.003 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.306 7.965 9.175 1.00 0.00 H new ATOM 260 N GLN A 19 -10.980 4.804 9.102 1.00 0.00 N ATOM 261 CA GLN A 19 -11.681 4.039 8.080 1.00 0.00 C ATOM 262 C GLN A 19 -11.229 4.482 6.681 1.00 0.00 C ATOM 263 O GLN A 19 -10.898 5.658 6.490 1.00 0.00 O ATOM 264 CB GLN A 19 -13.182 4.266 8.308 1.00 0.00 C ATOM 265 CG GLN A 19 -14.058 3.473 7.348 1.00 0.00 C ATOM 266 CD GLN A 19 -15.364 3.059 8.014 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.347 3.804 8.039 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.413 1.854 8.541 1.00 0.00 N ATOM 0 H GLN A 19 -11.520 5.609 9.420 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.457 2.974 8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.434 3.991 9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.403 5.328 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.271 4.074 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.522 2.587 7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.591 1.251 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.273 1.523 8.979 1.00 0.00 H new ATOM 277 N PHE A 20 -11.238 3.572 5.700 1.00 0.00 N ATOM 278 CA PHE A 20 -10.645 3.790 4.378 1.00 0.00 C ATOM 279 C PHE A 20 -11.271 2.870 3.340 1.00 0.00 C ATOM 280 O PHE A 20 -11.555 1.711 3.652 1.00 0.00 O ATOM 281 CB PHE A 20 -9.159 3.413 4.441 1.00 0.00 C ATOM 282 CG PHE A 20 -8.263 4.245 5.334 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.944 5.570 4.990 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.713 3.675 6.495 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.059 6.317 5.785 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.819 4.415 7.283 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.494 5.736 6.933 1.00 0.00 C ATOM 0 H PHE A 20 -11.664 2.651 5.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.804 4.833 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.089 2.375 4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.758 3.456 3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.382 6.016 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.979 2.668 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.814 7.334 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.379 3.967 8.162 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.810 6.305 7.546 1.00 0.00 H new ATOM 297 N HIS A 21 -11.386 3.335 2.092 1.00 0.00 N ATOM 298 CA HIS A 21 -12.008 2.589 1.001 1.00 0.00 C ATOM 299 C HIS A 21 -11.226 2.790 -0.299 1.00 0.00 C ATOM 300 O HIS A 21 -10.380 3.685 -0.380 1.00 0.00 O ATOM 301 CB HIS A 21 -13.464 3.048 0.824 1.00 0.00 C ATOM 302 CG HIS A 21 -14.243 3.249 2.105 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.275 4.414 2.834 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.051 2.348 2.739 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.067 4.230 3.898 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.576 2.983 3.874 1.00 0.00 N ATOM 0 H HIS A 21 -11.044 4.254 1.810 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.996 1.527 1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.466 3.985 0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.987 2.312 0.213 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.779 5.275 2.603 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.249 1.334 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.267 4.969 4.660 1.00 0.00 H new ATOM 314 N ILE A 22 -11.511 1.980 -1.331 1.00 0.00 N ATOM 315 CA ILE A 22 -10.965 2.188 -2.677 1.00 0.00 C ATOM 316 C ILE A 22 -11.463 3.555 -3.153 1.00 0.00 C ATOM 317 O ILE A 22 -12.625 3.697 -3.533 1.00 0.00 O ATOM 318 CB ILE A 22 -11.349 1.073 -3.681 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.222 -0.357 -3.142 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.545 1.200 -4.986 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.911 -0.733 -2.444 1.00 0.00 C ATOM 0 H ILE A 22 -12.123 1.168 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.877 2.152 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.410 1.235 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.038 -0.526 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.370 -1.045 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.836 0.404 -5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.748 2.167 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.480 1.119 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.959 -1.771 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.081 -0.612 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.759 -0.085 -1.581 1.00 0.00 H new ATOM 333 N GLY A 23 -10.597 4.557 -3.086 1.00 0.00 N ATOM 334 CA GLY A 23 -10.872 5.931 -3.492 1.00 0.00 C ATOM 335 C GLY A 23 -10.701 7.004 -2.408 1.00 0.00 C ATOM 336 O GLY A 23 -10.722 8.182 -2.764 1.00 0.00 O ATOM 0 H GLY A 23 -9.648 4.432 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.217 6.179 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.895 5.980 -3.865 1.00 0.00 H new ATOM 340 N ASP A 24 -10.535 6.666 -1.123 1.00 0.00 N ATOM 341 CA ASP A 24 -10.191 7.669 -0.090 1.00 0.00 C ATOM 342 C ASP A 24 -8.726 8.085 -0.251 1.00 0.00 C ATOM 343 O ASP A 24 -8.061 7.635 -1.181 1.00 0.00 O ATOM 344 CB ASP A 24 -10.439 7.138 1.326 1.00 0.00 C ATOM 345 CG ASP A 24 -11.912 7.100 1.659 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.526 8.160 1.914 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.415 5.967 1.727 1.00 0.00 O ATOM 0 H ASP A 24 -10.631 5.714 -0.769 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.838 8.535 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.019 6.136 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.919 7.769 2.047 1.00 0.00 H new ATOM 352 N THR A 25 -8.175 8.905 0.644 1.00 0.00 N ATOM 353 CA THR A 25 -6.769 9.300 0.640 1.00 0.00 C ATOM 354 C THR A 25 -6.152 8.949 1.997 1.00 0.00 C ATOM 355 O THR A 25 -6.781 9.148 3.038 1.00 0.00 O ATOM 356 CB THR A 25 -6.621 10.802 0.322 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.839 11.501 0.143 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.760 11.097 -0.894 1.00 0.00 C ATOM 0 H THR A 25 -8.707 9.322 1.408 1.00 0.00 H new ATOM 0 HA THR A 25 -6.238 8.757 -0.142 1.00 0.00 H new ATOM 0 HB THR A 25 -6.132 11.161 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.650 12.443 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.706 12.175 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.756 10.703 -0.733 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.198 10.625 -1.773 1.00 0.00 H new ATOM 366 N VAL A 26 -4.919 8.443 2.018 1.00 0.00 N ATOM 367 CA VAL A 26 -4.187 8.216 3.267 1.00 0.00 C ATOM 368 C VAL A 26 -3.689 9.563 3.815 1.00 0.00 C ATOM 369 O VAL A 26 -3.610 10.538 3.062 1.00 0.00 O ATOM 370 CB VAL A 26 -3.039 7.212 3.035 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.574 5.917 2.412 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.869 7.740 2.195 1.00 0.00 C ATOM 0 H VAL A 26 -4.402 8.181 1.179 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.846 7.775 4.015 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.631 7.026 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.750 5.221 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.307 5.467 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.046 6.141 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.115 6.960 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.231 8.030 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.428 8.606 2.689 1.00 0.00 H new ATOM 382 N PRO A 27 -3.370 9.672 5.113 1.00 0.00 N ATOM 383 CA PRO A 27 -2.622 10.805 5.649 1.00 0.00 C ATOM 384 C PRO A 27 -1.136 10.710 5.282 1.00 0.00 C ATOM 385 O PRO A 27 -0.593 9.614 5.114 1.00 0.00 O ATOM 386 CB PRO A 27 -2.835 10.713 7.153 1.00 0.00 C ATOM 387 CG PRO A 27 -2.981 9.225 7.407 1.00 0.00 C ATOM 388 CD PRO A 27 -3.717 8.733 6.170 1.00 0.00 C ATOM 0 HA PRO A 27 -2.958 11.759 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.992 11.132 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.724 11.261 7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.012 8.739 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.546 9.025 8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.413 7.719 5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.794 8.710 6.337 1.00 0.00 H new ATOM 396 N ALA A 28 -0.443 11.854 5.258 1.00 0.00 N ATOM 397 CA ALA A 28 0.955 11.941 4.827 1.00 0.00 C ATOM 398 C ALA A 28 1.928 11.176 5.727 1.00 0.00 C ATOM 399 O ALA A 28 3.078 10.953 5.355 1.00 0.00 O ATOM 400 CB ALA A 28 1.393 13.395 4.704 1.00 0.00 C ATOM 0 H ALA A 28 -0.840 12.751 5.539 1.00 0.00 H new ATOM 0 HA ALA A 28 0.992 11.459 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.434 13.436 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.767 13.903 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.292 13.888 5.671 1.00 0.00 H new ATOM 406 N MET A 29 1.463 10.733 6.890 1.00 0.00 N ATOM 407 CA MET A 29 2.221 9.908 7.809 1.00 0.00 C ATOM 408 C MET A 29 2.638 8.603 7.107 1.00 0.00 C ATOM 409 O MET A 29 3.761 8.130 7.310 1.00 0.00 O ATOM 410 CB MET A 29 1.391 9.656 9.084 1.00 0.00 C ATOM 411 CG MET A 29 0.544 10.854 9.570 1.00 0.00 C ATOM 412 SD MET A 29 0.587 11.240 11.344 1.00 0.00 S ATOM 413 CE MET A 29 2.129 12.188 11.430 1.00 0.00 C ATOM 0 H MET A 29 0.523 10.946 7.224 1.00 0.00 H new ATOM 0 HA MET A 29 3.135 10.419 8.113 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.726 8.812 8.903 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.068 9.362 9.886 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.869 11.740 9.024 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.493 10.669 9.290 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.305 12.503 12.458 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.958 11.565 11.094 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.052 13.067 10.789 1.00 0.00 H new ATOM 423 N TYR A 30 1.803 8.076 6.197 1.00 0.00 N ATOM 424 CA TYR A 30 2.083 6.805 5.522 1.00 0.00 C ATOM 425 C TYR A 30 2.601 6.994 4.104 1.00 0.00 C ATOM 426 O TYR A 30 3.085 6.039 3.504 1.00 0.00 O ATOM 427 CB TYR A 30 0.828 5.942 5.514 1.00 0.00 C ATOM 428 CG TYR A 30 0.268 5.728 6.909 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.957 4.979 7.885 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.922 6.382 7.252 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.447 4.889 9.197 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.423 6.320 8.560 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.741 5.573 9.539 1.00 0.00 C ATOM 434 OH TYR A 30 -1.287 5.454 10.777 1.00 0.00 O ATOM 0 H TYR A 30 0.927 8.514 5.913 1.00 0.00 H new ATOM 0 HA TYR A 30 2.875 6.307 6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.070 6.413 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.057 4.976 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.876 4.474 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.460 6.941 6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.964 4.298 9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.331 6.845 8.816 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.101 5.997 10.829 1.00 0.00 H new ATOM 444 N LEU A 31 2.575 8.231 3.597 1.00 0.00 N ATOM 445 CA LEU A 31 3.276 8.593 2.369 1.00 0.00 C ATOM 446 C LEU A 31 4.775 8.322 2.523 1.00 0.00 C ATOM 447 O LEU A 31 5.462 8.156 1.515 1.00 0.00 O ATOM 448 CB LEU A 31 3.072 10.090 2.032 1.00 0.00 C ATOM 449 CG LEU A 31 1.806 10.490 1.251 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.925 10.067 -0.206 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.499 9.915 1.788 1.00 0.00 C ATOM 0 H LEU A 31 2.068 9.004 4.028 1.00 0.00 H new ATOM 0 HA LEU A 31 2.866 7.988 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.076 10.647 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.937 10.424 1.459 1.00 0.00 H new ATOM 0 HG LEU A 31 1.755 11.573 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.022 10.357 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.789 10.555 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.049 8.986 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.330 10.256 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.544 8.826 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.348 10.251 2.814 1.00 0.00 H new ATOM 463 N THR A 32 5.295 8.365 3.757 1.00 0.00 N ATOM 464 CA THR A 32 6.727 8.358 3.979 1.00 0.00 C ATOM 465 C THR A 32 7.367 7.048 3.510 1.00 0.00 C ATOM 466 O THR A 32 6.794 5.974 3.712 1.00 0.00 O ATOM 467 CB THR A 32 7.055 8.731 5.433 1.00 0.00 C ATOM 468 OG1 THR A 32 6.611 7.850 6.442 1.00 0.00 O ATOM 469 CG2 THR A 32 6.418 10.051 5.809 1.00 0.00 C ATOM 0 H THR A 32 4.736 8.405 4.610 1.00 0.00 H new ATOM 0 HA THR A 32 7.181 9.131 3.359 1.00 0.00 H new ATOM 0 HB THR A 32 8.145 8.725 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.675 8.044 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.665 10.293 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.794 10.836 5.153 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.336 9.976 5.703 1.00 0.00 H new ATOM 477 N PRO A 33 8.598 7.095 2.965 1.00 0.00 N ATOM 478 CA PRO A 33 9.206 5.936 2.327 1.00 0.00 C ATOM 479 C PRO A 33 9.633 4.878 3.352 1.00 0.00 C ATOM 480 O PRO A 33 10.029 3.781 2.967 1.00 0.00 O ATOM 481 CB PRO A 33 10.383 6.492 1.531 1.00 0.00 C ATOM 482 CG PRO A 33 10.841 7.667 2.390 1.00 0.00 C ATOM 483 CD PRO A 33 9.510 8.231 2.893 1.00 0.00 C ATOM 0 HA PRO A 33 8.504 5.413 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.172 5.751 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.082 6.812 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.484 7.347 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.403 8.401 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.628 8.700 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.129 8.996 2.216 1.00 0.00 H new ATOM 491 N GLU A 34 9.517 5.192 4.642 1.00 0.00 N ATOM 492 CA GLU A 34 9.571 4.282 5.774 1.00 0.00 C ATOM 493 C GLU A 34 8.621 3.096 5.593 1.00 0.00 C ATOM 494 O GLU A 34 8.966 1.979 5.976 1.00 0.00 O ATOM 495 CB GLU A 34 9.146 5.076 7.027 1.00 0.00 C ATOM 496 CG GLU A 34 10.299 5.821 7.700 1.00 0.00 C ATOM 497 CD GLU A 34 11.117 4.829 8.546 1.00 0.00 C ATOM 498 OE1 GLU A 34 11.871 4.019 7.953 1.00 0.00 O ATOM 499 OE2 GLU A 34 10.985 4.825 9.789 1.00 0.00 O ATOM 0 H GLU A 34 9.373 6.157 4.939 1.00 0.00 H new ATOM 0 HA GLU A 34 10.582 3.886 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.375 5.794 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.698 4.391 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.935 6.287 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.912 6.622 8.330 1.00 0.00 H new ATOM 506 N TYR A 35 7.437 3.346 5.027 1.00 0.00 N ATOM 507 CA TYR A 35 6.342 2.388 4.905 1.00 0.00 C ATOM 508 C TYR A 35 6.176 1.898 3.463 1.00 0.00 C ATOM 509 O TYR A 35 5.179 1.247 3.174 1.00 0.00 O ATOM 510 CB TYR A 35 5.044 3.039 5.423 1.00 0.00 C ATOM 511 CG TYR A 35 5.189 3.540 6.839 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.053 2.634 7.905 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.559 4.877 7.082 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.397 3.033 9.205 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.909 5.270 8.382 1.00 0.00 C ATOM 516 CZ TYR A 35 5.877 4.336 9.442 1.00 0.00 C ATOM 517 OH TYR A 35 6.254 4.693 10.698 1.00 0.00 O ATOM 0 H TYR A 35 7.209 4.256 4.627 1.00 0.00 H new ATOM 0 HA TYR A 35 6.574 1.510 5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.769 3.868 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.231 2.314 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.685 1.635 7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.573 5.594 6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.294 2.339 10.026 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.204 6.291 8.574 1.00 0.00 H new ATOM 0 HH TYR A 35 6.562 5.623 10.695 1.00 0.00 H new ATOM 527 N ASN A 36 7.085 2.257 2.551 1.00 0.00 N ATOM 528 CA ASN A 36 7.002 2.027 1.107 1.00 0.00 C ATOM 529 C ASN A 36 7.653 0.692 0.735 1.00 0.00 C ATOM 530 O ASN A 36 8.887 0.584 0.717 1.00 0.00 O ATOM 531 CB ASN A 36 7.674 3.194 0.363 1.00 0.00 C ATOM 532 CG ASN A 36 7.809 3.000 -1.144 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.465 1.972 -1.720 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.351 4.002 -1.811 1.00 0.00 N ATOM 0 H ASN A 36 7.943 2.741 2.815 1.00 0.00 H new ATOM 0 HA ASN A 36 5.954 1.977 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.101 4.102 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.667 3.352 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.489 3.928 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.632 4.850 -1.318 1.00 0.00 H new ATOM 541 N ILE A 37 6.834 -0.304 0.377 1.00 0.00 N ATOM 542 CA ILE A 37 7.256 -1.640 -0.046 1.00 0.00 C ATOM 543 C ILE A 37 7.662 -1.624 -1.526 1.00 0.00 C ATOM 544 O ILE A 37 7.059 -2.262 -2.391 1.00 0.00 O ATOM 545 CB ILE A 37 6.186 -2.704 0.288 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.758 -2.640 1.769 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.708 -4.129 0.058 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.373 -2.050 1.968 1.00 0.00 C ATOM 0 H ILE A 37 5.820 -0.195 0.375 1.00 0.00 H new ATOM 0 HA ILE A 37 8.141 -1.930 0.521 1.00 0.00 H new ATOM 0 HB ILE A 37 5.347 -2.483 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.782 -3.645 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.483 -2.044 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.926 -4.847 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.994 -4.248 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.576 -4.306 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.134 -2.034 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.351 -1.033 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.639 -2.659 1.440 1.00 0.00 H new ATOM 560 N LYS A 38 8.756 -0.918 -1.814 1.00 0.00 N ATOM 561 CA LYS A 38 9.316 -0.758 -3.156 1.00 0.00 C ATOM 562 C LYS A 38 9.576 -2.103 -3.836 1.00 0.00 C ATOM 563 O LYS A 38 9.651 -2.163 -5.063 1.00 0.00 O ATOM 564 CB LYS A 38 10.656 -0.022 -3.041 1.00 0.00 C ATOM 565 CG LYS A 38 10.602 1.433 -2.586 1.00 0.00 C ATOM 566 CD LYS A 38 12.054 1.949 -2.570 1.00 0.00 C ATOM 567 CE LYS A 38 12.163 3.320 -1.907 1.00 0.00 C ATOM 568 NZ LYS A 38 12.904 3.338 -0.623 1.00 0.00 N ATOM 0 H LYS A 38 9.293 -0.427 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 38 8.594 -0.202 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.288 -0.573 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.148 -0.056 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.988 2.027 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.153 1.512 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.686 1.238 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.429 2.009 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.651 4.004 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.158 3.704 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.926 4.308 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.430 2.714 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.877 3.005 -0.779 1.00 0.00 H new ATOM 582 N GLN A 39 9.804 -3.161 -3.063 1.00 0.00 N ATOM 583 CA GLN A 39 9.845 -4.541 -3.504 1.00 0.00 C ATOM 584 C GLN A 39 8.418 -5.001 -3.814 1.00 0.00 C ATOM 585 O GLN A 39 7.756 -5.487 -2.910 1.00 0.00 O ATOM 586 CB GLN A 39 10.449 -5.359 -2.352 1.00 0.00 C ATOM 587 CG GLN A 39 11.950 -5.094 -2.173 1.00 0.00 C ATOM 588 CD GLN A 39 12.489 -5.758 -0.910 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.287 -6.679 -0.978 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.099 -5.286 0.266 1.00 0.00 N ATOM 0 H GLN A 39 9.973 -3.068 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 39 10.445 -4.667 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.927 -5.118 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.290 -6.421 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.492 -5.468 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.127 -4.020 -2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.432 -4.516 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.466 -5.693 1.126 1.00 0.00 H new ATOM 599 N TRP A 40 7.914 -4.858 -5.043 1.00 0.00 N ATOM 600 CA TRP A 40 6.568 -5.339 -5.386 1.00 0.00 C ATOM 601 C TRP A 40 6.575 -6.480 -6.405 1.00 0.00 C ATOM 602 O TRP A 40 5.661 -7.304 -6.405 1.00 0.00 O ATOM 603 CB TRP A 40 5.712 -4.169 -5.879 1.00 0.00 C ATOM 604 CG TRP A 40 6.289 -3.327 -6.974 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.972 -2.171 -6.814 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.217 -3.552 -8.413 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.290 -1.655 -8.055 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.844 -2.461 -9.073 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.681 -4.565 -9.231 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.897 -2.361 -10.467 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.777 -4.501 -10.639 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.376 -3.390 -11.256 1.00 0.00 C ATOM 0 H TRP A 40 8.413 -4.416 -5.815 1.00 0.00 H new ATOM 0 HA TRP A 40 6.133 -5.755 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.758 -4.567 -6.223 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.499 -3.521 -5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.228 -1.722 -5.866 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.795 -0.781 -8.198 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.186 -5.408 -8.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.339 -1.492 -10.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.389 -5.308 -11.243 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.433 -3.332 -12.333 1.00 0.00 H new ATOM 623 N GLN A 41 7.585 -6.528 -7.278 1.00 0.00 N ATOM 624 CA GLN A 41 7.627 -7.391 -8.459 1.00 0.00 C ATOM 625 C GLN A 41 7.492 -8.872 -8.086 1.00 0.00 C ATOM 626 O GLN A 41 6.793 -9.631 -8.758 1.00 0.00 O ATOM 627 CB GLN A 41 8.940 -7.136 -9.223 1.00 0.00 C ATOM 628 CG GLN A 41 9.143 -5.676 -9.662 1.00 0.00 C ATOM 629 CD GLN A 41 10.536 -5.475 -10.257 1.00 0.00 C ATOM 630 OE1 GLN A 41 10.764 -5.761 -11.430 1.00 0.00 O ATOM 631 NE2 GLN A 41 11.484 -4.981 -9.470 1.00 0.00 N ATOM 0 H GLN A 41 8.420 -5.950 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 41 6.778 -7.148 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.778 -7.433 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.963 -7.775 -10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.386 -5.405 -10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.009 -5.013 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.272 -4.751 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.424 -4.832 -9.836 1.00 0.00 H new ATOM 640 N GLN A 42 8.115 -9.281 -6.984 1.00 0.00 N ATOM 641 CA GLN A 42 8.131 -10.649 -6.501 1.00 0.00 C ATOM 642 C GLN A 42 7.493 -10.696 -5.114 1.00 0.00 C ATOM 643 O GLN A 42 8.007 -11.334 -4.196 1.00 0.00 O ATOM 644 CB GLN A 42 9.573 -11.168 -6.567 1.00 0.00 C ATOM 645 CG GLN A 42 9.923 -11.733 -7.937 1.00 0.00 C ATOM 646 CD GLN A 42 11.000 -12.796 -7.813 1.00 0.00 C ATOM 647 OE1 GLN A 42 12.156 -12.470 -7.574 1.00 0.00 O ATOM 648 NE2 GLN A 42 10.655 -14.067 -7.917 1.00 0.00 N ATOM 0 H GLN A 42 8.639 -8.643 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 42 7.535 -11.318 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.260 -10.357 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.713 -11.941 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.033 -12.160 -8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.268 -10.932 -8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.687 -14.318 -8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.357 -14.797 -7.798 1.00 0.00 H new ATOM 657 N ARG A 43 6.360 -10.010 -4.953 1.00 0.00 N ATOM 658 CA ARG A 43 5.588 -9.997 -3.713 1.00 0.00 C ATOM 659 C ARG A 43 4.144 -10.431 -3.924 1.00 0.00 C ATOM 660 O ARG A 43 3.256 -9.981 -3.206 1.00 0.00 O ATOM 661 CB ARG A 43 5.728 -8.653 -3.004 1.00 0.00 C ATOM 662 CG ARG A 43 7.138 -8.502 -2.416 1.00 0.00 C ATOM 663 CD ARG A 43 6.981 -7.746 -1.100 1.00 0.00 C ATOM 664 NE ARG A 43 8.205 -7.693 -0.305 1.00 0.00 N ATOM 665 CZ ARG A 43 8.214 -7.388 0.991 1.00 0.00 C ATOM 666 NH1 ARG A 43 7.104 -6.974 1.597 1.00 0.00 N ATOM 667 NH2 ARG A 43 9.352 -7.513 1.656 1.00 0.00 N ATOM 0 H ARG A 43 5.949 -9.440 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 43 6.008 -10.748 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.531 -7.842 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.986 -8.575 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.596 -9.477 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.788 -7.957 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.652 -6.729 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.195 -8.219 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 43 9.093 -7.899 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.236 -6.888 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.121 -6.743 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.191 -7.836 1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.389 -7.287 2.650 1.00 0.00 H new ATOM 681 N ASN A 44 3.902 -11.285 -4.920 1.00 0.00 N ATOM 682 CA ASN A 44 2.578 -11.739 -5.330 1.00 0.00 C ATOM 683 C ASN A 44 1.628 -10.562 -5.600 1.00 0.00 C ATOM 684 O ASN A 44 0.424 -10.724 -5.461 1.00 0.00 O ATOM 685 CB ASN A 44 1.972 -12.733 -4.313 1.00 0.00 C ATOM 686 CG ASN A 44 2.848 -13.925 -3.960 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.416 -14.000 -2.877 1.00 0.00 O ATOM 688 ND2 ASN A 44 3.018 -14.880 -4.863 1.00 0.00 N ATOM 0 H ASN A 44 4.650 -11.692 -5.481 1.00 0.00 H new ATOM 0 HA ASN A 44 2.704 -12.274 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.740 -12.191 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.028 -13.104 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.621 -15.676 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.546 -14.819 -5.765 1.00 0.00 H new ATOM 695 N LEU A 45 2.113 -9.372 -5.983 1.00 0.00 N ATOM 696 CA LEU A 45 1.279 -8.174 -6.151 1.00 0.00 C ATOM 697 C LEU A 45 1.509 -7.553 -7.525 1.00 0.00 C ATOM 698 O LEU A 45 2.548 -7.813 -8.137 1.00 0.00 O ATOM 699 CB LEU A 45 1.569 -7.156 -5.034 1.00 0.00 C ATOM 700 CG LEU A 45 0.890 -7.550 -3.706 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.552 -6.832 -2.531 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.594 -7.176 -3.736 1.00 0.00 C ATOM 0 H LEU A 45 3.100 -9.213 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 45 0.231 -8.467 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.646 -7.080 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.220 -6.170 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 45 0.997 -8.628 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.060 -7.122 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.606 -7.106 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.464 -5.754 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.060 -7.460 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.695 -6.101 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.085 -7.701 -4.556 1.00 0.00 H new ATOM 714 N PRO A 46 0.568 -6.737 -8.032 1.00 0.00 N ATOM 715 CA PRO A 46 0.701 -6.079 -9.322 1.00 0.00 C ATOM 716 C PRO A 46 1.624 -4.854 -9.243 1.00 0.00 C ATOM 717 O PRO A 46 2.083 -4.439 -8.170 1.00 0.00 O ATOM 718 CB PRO A 46 -0.717 -5.679 -9.725 1.00 0.00 C ATOM 719 CG PRO A 46 -1.422 -5.485 -8.394 1.00 0.00 C ATOM 720 CD PRO A 46 -0.716 -6.418 -7.425 1.00 0.00 C ATOM 0 HA PRO A 46 1.158 -6.741 -10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.723 -4.765 -10.319 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.197 -6.452 -10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.356 -4.449 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.482 -5.727 -8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.580 -5.941 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.302 -7.321 -7.257 1.00 0.00 H new ATOM 728 N ALA A 47 1.903 -4.279 -10.413 1.00 0.00 N ATOM 729 CA ALA A 47 2.641 -3.035 -10.556 1.00 0.00 C ATOM 730 C ALA A 47 1.829 -1.846 -10.005 1.00 0.00 C ATOM 731 O ALA A 47 0.596 -1.896 -10.039 1.00 0.00 O ATOM 732 CB ALA A 47 2.958 -2.830 -12.042 1.00 0.00 C ATOM 0 H ALA A 47 1.613 -4.679 -11.305 1.00 0.00 H new ATOM 0 HA ALA A 47 3.566 -3.090 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.512 -1.900 -12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.559 -3.664 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.028 -2.780 -12.609 1.00 0.00 H new ATOM 738 N PRO A 48 2.503 -0.785 -9.520 1.00 0.00 N ATOM 739 CA PRO A 48 1.882 0.472 -9.101 1.00 0.00 C ATOM 740 C PRO A 48 1.391 1.286 -10.310 1.00 0.00 C ATOM 741 O PRO A 48 1.821 1.035 -11.435 1.00 0.00 O ATOM 742 CB PRO A 48 2.999 1.214 -8.354 1.00 0.00 C ATOM 743 CG PRO A 48 4.273 0.741 -9.045 1.00 0.00 C ATOM 744 CD PRO A 48 3.951 -0.708 -9.382 1.00 0.00 C ATOM 0 HA PRO A 48 1.000 0.309 -8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.881 2.295 -8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.004 0.966 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.490 1.326 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.142 0.822 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.446 -1.012 -10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.303 -1.377 -8.597 1.00 0.00 H new ATOM 752 N ASP A 49 0.540 2.294 -10.089 1.00 0.00 N ATOM 753 CA ASP A 49 0.275 3.351 -11.075 1.00 0.00 C ATOM 754 C ASP A 49 1.524 4.219 -11.229 1.00 0.00 C ATOM 755 O ASP A 49 2.438 4.196 -10.403 1.00 0.00 O ATOM 756 CB ASP A 49 -0.910 4.254 -10.677 1.00 0.00 C ATOM 757 CG ASP A 49 -2.213 3.870 -11.394 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.613 2.692 -11.332 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.814 4.735 -12.075 1.00 0.00 O ATOM 0 H ASP A 49 0.015 2.401 -9.221 1.00 0.00 H new ATOM 0 HA ASP A 49 0.016 2.860 -12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.062 4.194 -9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.665 5.291 -10.907 1.00 0.00 H new ATOM 764 N ALA A 50 1.519 5.049 -12.266 1.00 0.00 N ATOM 765 CA ALA A 50 2.608 5.891 -12.733 1.00 0.00 C ATOM 766 C ALA A 50 2.918 7.113 -11.846 1.00 0.00 C ATOM 767 O ALA A 50 2.992 8.240 -12.341 1.00 0.00 O ATOM 768 CB ALA A 50 2.180 6.338 -14.121 1.00 0.00 C ATOM 0 H ALA A 50 0.687 5.157 -12.846 1.00 0.00 H new ATOM 0 HA ALA A 50 3.538 5.322 -12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.949 6.981 -14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.042 5.464 -14.758 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.242 6.889 -14.053 1.00 0.00 H new ATOM 774 N GLY A 51 3.108 6.895 -10.553 1.00 0.00 N ATOM 775 CA GLY A 51 3.434 7.896 -9.551 1.00 0.00 C ATOM 776 C GLY A 51 2.945 7.420 -8.193 1.00 0.00 C ATOM 777 O GLY A 51 2.277 8.184 -7.496 1.00 0.00 O ATOM 0 H GLY A 51 3.034 5.960 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.511 8.065 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.968 8.848 -9.806 1.00 0.00 H new ATOM 781 N SER A 52 3.160 6.147 -7.849 1.00 0.00 N ATOM 782 CA SER A 52 2.572 5.541 -6.666 1.00 0.00 C ATOM 783 C SER A 52 3.405 4.369 -6.164 1.00 0.00 C ATOM 784 O SER A 52 4.292 3.865 -6.859 1.00 0.00 O ATOM 785 CB SER A 52 1.143 5.105 -7.013 1.00 0.00 C ATOM 786 OG SER A 52 1.120 4.136 -8.028 1.00 0.00 O ATOM 0 H SER A 52 3.749 5.512 -8.388 1.00 0.00 H new ATOM 0 HA SER A 52 2.549 6.268 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.659 4.707 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.565 5.974 -7.328 1.00 0.00 H new ATOM 0 HG SER A 52 1.715 4.411 -8.756 1.00 0.00 H new ATOM 792 N HIS A 53 3.083 3.907 -4.961 1.00 0.00 N ATOM 793 CA HIS A 53 3.748 2.790 -4.331 1.00 0.00 C ATOM 794 C HIS A 53 2.825 2.143 -3.317 1.00 0.00 C ATOM 795 O HIS A 53 1.871 2.740 -2.826 1.00 0.00 O ATOM 796 CB HIS A 53 5.056 3.277 -3.715 1.00 0.00 C ATOM 797 CG HIS A 53 4.910 4.312 -2.637 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.003 5.668 -2.822 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.657 4.082 -1.310 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.771 6.247 -1.636 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.621 5.322 -0.675 1.00 0.00 N ATOM 0 H HIS A 53 2.338 4.310 -4.392 1.00 0.00 H new ATOM 0 HA HIS A 53 3.992 2.022 -5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.586 2.419 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.682 3.687 -4.508 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.210 6.146 -3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.512 3.119 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.713 7.313 -1.475 1.00 0.00 H new ATOM 809 N TRP A 54 3.086 0.881 -3.042 1.00 0.00 N ATOM 810 CA TRP A 54 2.393 0.109 -2.046 1.00 0.00 C ATOM 811 C TRP A 54 2.975 0.445 -0.673 1.00 0.00 C ATOM 812 O TRP A 54 4.194 0.603 -0.528 1.00 0.00 O ATOM 813 CB TRP A 54 2.532 -1.364 -2.437 1.00 0.00 C ATOM 814 CG TRP A 54 1.853 -1.712 -3.736 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.393 -1.680 -4.982 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.463 -2.105 -3.920 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.462 -2.144 -5.900 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.238 -2.350 -5.304 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.639 -2.246 -3.055 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -1.020 -2.700 -5.804 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.916 -2.578 -3.548 1.00 0.00 C ATOM 822 CH2 TRP A 54 -2.108 -2.794 -4.924 1.00 0.00 C ATOM 0 H TRP A 54 3.812 0.352 -3.526 1.00 0.00 H new ATOM 0 HA TRP A 54 1.329 0.339 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.591 -1.612 -2.513 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.115 -1.983 -1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.392 -1.345 -5.221 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.658 -2.311 -6.887 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.503 -2.097 -1.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.153 -2.896 -6.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.750 -2.667 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.091 -3.032 -5.302 1.00 0.00 H new ATOM 833 N THR A 55 2.111 0.527 0.334 1.00 0.00 N ATOM 834 CA THR A 55 2.485 0.739 1.727 1.00 0.00 C ATOM 835 C THR A 55 1.765 -0.291 2.588 1.00 0.00 C ATOM 836 O THR A 55 0.764 -0.878 2.165 1.00 0.00 O ATOM 837 CB THR A 55 2.248 2.190 2.200 1.00 0.00 C ATOM 838 OG1 THR A 55 2.308 2.348 3.602 1.00 0.00 O ATOM 839 CG2 THR A 55 0.868 2.704 1.801 1.00 0.00 C ATOM 0 H THR A 55 1.103 0.445 0.199 1.00 0.00 H new ATOM 0 HA THR A 55 3.561 0.595 1.829 1.00 0.00 H new ATOM 0 HB THR A 55 3.052 2.747 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.151 3.288 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.745 3.728 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.771 2.680 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.101 2.071 2.248 1.00 0.00 H new ATOM 847 N TYR A 56 2.318 -0.523 3.778 1.00 0.00 N ATOM 848 CA TYR A 56 1.829 -1.498 4.735 1.00 0.00 C ATOM 849 C TYR A 56 0.932 -0.786 5.738 1.00 0.00 C ATOM 850 O TYR A 56 1.416 0.023 6.533 1.00 0.00 O ATOM 851 CB TYR A 56 2.980 -2.261 5.402 1.00 0.00 C ATOM 852 CG TYR A 56 2.571 -3.625 5.917 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.099 -4.605 5.024 1.00 0.00 C ATOM 854 CD2 TYR A 56 2.674 -3.927 7.284 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.802 -5.901 5.482 1.00 0.00 C ATOM 856 CE2 TYR A 56 2.343 -5.208 7.750 1.00 0.00 C ATOM 857 CZ TYR A 56 1.945 -6.218 6.851 1.00 0.00 C ATOM 858 OH TYR A 56 1.652 -7.466 7.317 1.00 0.00 O ATOM 0 H TYR A 56 3.142 -0.020 4.106 1.00 0.00 H new ATOM 0 HA TYR A 56 1.240 -2.257 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.793 -2.379 4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.369 -1.668 6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.964 -4.360 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.009 -3.171 7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.464 -6.655 4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.394 -5.422 8.807 1.00 0.00 H new ATOM 0 HH TYR A 56 0.725 -7.691 7.090 1.00 0.00 H new ATOM 868 N MET A 57 -0.372 -1.039 5.667 1.00 0.00 N ATOM 869 CA MET A 57 -1.401 -0.313 6.391 1.00 0.00 C ATOM 870 C MET A 57 -2.345 -1.272 7.094 1.00 0.00 C ATOM 871 O MET A 57 -3.078 -2.027 6.458 1.00 0.00 O ATOM 872 CB MET A 57 -2.187 0.590 5.435 1.00 0.00 C ATOM 873 CG MET A 57 -1.764 2.055 5.523 1.00 0.00 C ATOM 874 SD MET A 57 -2.451 2.982 6.927 1.00 0.00 S ATOM 875 CE MET A 57 -1.498 2.419 8.362 1.00 0.00 C ATOM 0 H MET A 57 -0.751 -1.783 5.081 1.00 0.00 H new ATOM 0 HA MET A 57 -0.914 0.306 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.049 0.237 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.251 0.510 5.659 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.676 2.099 5.578 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.057 2.556 4.600 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.723 3.053 9.220 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.763 1.387 8.593 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.433 2.478 8.137 1.00 0.00 H new ATOM 885 N GLY A 58 -2.319 -1.272 8.421 1.00 0.00 N ATOM 886 CA GLY A 58 -3.094 -2.191 9.239 1.00 0.00 C ATOM 887 C GLY A 58 -2.602 -3.641 9.154 1.00 0.00 C ATOM 888 O GLY A 58 -3.156 -4.494 9.847 1.00 0.00 O ATOM 0 H GLY A 58 -1.750 -0.623 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.057 -1.862 10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.138 -2.150 8.929 1.00 0.00 H new ATOM 892 N GLY A 59 -1.570 -3.953 8.363 1.00 0.00 N ATOM 893 CA GLY A 59 -1.231 -5.316 7.966 1.00 0.00 C ATOM 894 C GLY A 59 -1.435 -5.581 6.473 1.00 0.00 C ATOM 895 O GLY A 59 -1.008 -6.618 5.981 1.00 0.00 O ATOM 0 H GLY A 59 -0.939 -3.251 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.191 -5.514 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.840 -6.016 8.538 1.00 0.00 H new ATOM 899 N ASN A 60 -2.112 -4.690 5.754 1.00 0.00 N ATOM 900 CA ASN A 60 -2.469 -4.869 4.351 1.00 0.00 C ATOM 901 C ASN A 60 -1.472 -4.123 3.474 1.00 0.00 C ATOM 902 O ASN A 60 -0.814 -3.194 3.933 1.00 0.00 O ATOM 903 CB ASN A 60 -3.837 -4.240 4.116 1.00 0.00 C ATOM 904 CG ASN A 60 -4.921 -4.714 5.068 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.587 -5.708 4.815 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.127 -4.013 6.174 1.00 0.00 N ATOM 0 H ASN A 60 -2.435 -3.803 6.140 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.471 -5.932 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.744 -3.157 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.150 -4.453 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.852 -4.300 6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.561 -3.187 6.367 1.00 0.00 H new ATOM 913 N TYR A 61 -1.429 -4.448 2.189 1.00 0.00 N ATOM 914 CA TYR A 61 -0.669 -3.758 1.162 1.00 0.00 C ATOM 915 C TYR A 61 -1.623 -2.862 0.378 1.00 0.00 C ATOM 916 O TYR A 61 -2.475 -3.365 -0.356 1.00 0.00 O ATOM 917 CB TYR A 61 0.002 -4.798 0.258 1.00 0.00 C ATOM 918 CG TYR A 61 1.041 -5.611 0.996 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.307 -5.054 1.237 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.728 -6.892 1.489 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.250 -5.758 2.006 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.694 -7.628 2.198 1.00 0.00 C ATOM 923 CZ TYR A 61 2.957 -7.058 2.473 1.00 0.00 C ATOM 924 OH TYR A 61 3.904 -7.737 3.179 1.00 0.00 O ATOM 0 H TYR A 61 -1.951 -5.242 1.818 1.00 0.00 H new ATOM 0 HA TYR A 61 0.112 -3.135 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.757 -5.466 -0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.471 -4.294 -0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.556 -4.085 0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.254 -7.309 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.201 -5.303 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.470 -8.630 2.533 1.00 0.00 H new ATOM 0 HH TYR A 61 3.555 -8.617 3.433 1.00 0.00 H new ATOM 934 N VAL A 62 -1.501 -1.539 0.496 1.00 0.00 N ATOM 935 CA VAL A 62 -2.385 -0.592 -0.189 1.00 0.00 C ATOM 936 C VAL A 62 -1.562 0.335 -1.088 1.00 0.00 C ATOM 937 O VAL A 62 -0.483 0.770 -0.698 1.00 0.00 O ATOM 938 CB VAL A 62 -3.292 0.133 0.826 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.962 -0.830 1.796 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.580 1.219 1.639 1.00 0.00 C ATOM 0 H VAL A 62 -0.786 -1.092 1.070 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.067 -1.122 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.043 0.616 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.589 -0.270 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.577 -1.537 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.200 -1.373 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.287 1.680 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.761 0.773 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.184 1.978 0.964 1.00 0.00 H new ATOM 950 N LEU A 63 -2.017 0.582 -2.317 1.00 0.00 N ATOM 951 CA LEU A 63 -1.326 1.371 -3.338 1.00 0.00 C ATOM 952 C LEU A 63 -1.708 2.839 -3.212 1.00 0.00 C ATOM 953 O LEU A 63 -2.868 3.178 -3.445 1.00 0.00 O ATOM 954 CB LEU A 63 -1.709 0.853 -4.725 1.00 0.00 C ATOM 955 CG LEU A 63 -1.027 1.571 -5.902 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.506 1.607 -5.797 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.507 0.842 -7.171 1.00 0.00 C ATOM 0 H LEU A 63 -2.915 0.223 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.249 1.275 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.468 -0.209 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.789 0.941 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.306 2.625 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.918 2.128 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.796 2.130 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.893 0.588 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.057 1.305 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.212 -0.206 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.593 0.910 -7.241 1.00 0.00 H new ATOM 969 N ILE A 64 -0.768 3.700 -2.842 1.00 0.00 N ATOM 970 CA ILE A 64 -0.993 5.121 -2.608 1.00 0.00 C ATOM 971 C ILE A 64 -0.135 5.928 -3.572 1.00 0.00 C ATOM 972 O ILE A 64 0.990 5.549 -3.897 1.00 0.00 O ATOM 973 CB ILE A 64 -0.748 5.482 -1.129 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.713 5.305 -0.677 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.662 4.624 -0.242 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.433 6.633 -0.550 1.00 0.00 C ATOM 0 H ILE A 64 0.201 3.420 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.036 5.371 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.976 6.543 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.736 4.787 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.240 4.674 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.493 4.875 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.704 4.818 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.439 3.569 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.460 6.461 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.435 7.140 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.922 7.255 0.185 1.00 0.00 H new ATOM 988 N THR A 65 -0.677 7.031 -4.066 1.00 0.00 N ATOM 989 CA THR A 65 0.007 7.932 -4.976 1.00 0.00 C ATOM 990 C THR A 65 1.034 8.743 -4.206 1.00 0.00 C ATOM 991 O THR A 65 0.733 9.282 -3.149 1.00 0.00 O ATOM 992 CB THR A 65 -1.019 8.839 -5.681 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.289 8.781 -5.054 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.212 8.375 -7.119 1.00 0.00 C ATOM 0 H THR A 65 -1.626 7.329 -3.839 1.00 0.00 H new ATOM 0 HA THR A 65 0.530 7.362 -5.744 1.00 0.00 H new ATOM 0 HB THR A 65 -0.631 9.856 -5.633 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.977 9.094 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.938 9.019 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.261 8.426 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.575 7.347 -7.124 1.00 0.00 H new ATOM 1002 N ASP A 66 2.223 8.912 -4.765 1.00 0.00 N ATOM 1003 CA ASP A 66 3.304 9.694 -4.165 1.00 0.00 C ATOM 1004 C ASP A 66 3.020 11.208 -4.158 1.00 0.00 C ATOM 1005 O ASP A 66 3.878 11.998 -3.772 1.00 0.00 O ATOM 1006 CB ASP A 66 4.607 9.396 -4.922 1.00 0.00 C ATOM 1007 CG ASP A 66 5.549 8.485 -4.140 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.857 8.761 -2.963 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.017 7.491 -4.739 1.00 0.00 O ATOM 0 H ASP A 66 2.472 8.503 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 66 3.391 9.398 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.368 8.930 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.116 10.334 -5.143 1.00 0.00 H new ATOM 1014 N THR A 67 1.851 11.632 -4.643 1.00 0.00 N ATOM 1015 CA THR A 67 1.516 13.022 -4.939 1.00 0.00 C ATOM 1016 C THR A 67 0.037 13.315 -4.595 1.00 0.00 C ATOM 1017 O THR A 67 -0.512 14.375 -4.901 1.00 0.00 O ATOM 1018 CB THR A 67 1.941 13.264 -6.399 1.00 0.00 C ATOM 1019 OG1 THR A 67 2.078 14.620 -6.738 1.00 0.00 O ATOM 1020 CG2 THR A 67 1.025 12.603 -7.422 1.00 0.00 C ATOM 0 H THR A 67 1.085 10.991 -4.847 1.00 0.00 H new ATOM 0 HA THR A 67 2.051 13.741 -4.318 1.00 0.00 H new ATOM 0 HB THR A 67 2.923 12.792 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.350 14.697 -7.676 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.388 12.818 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.018 11.525 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.013 12.993 -7.310 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.634 12.369 -3.931 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.998 12.525 -3.443 1.00 0.00 C ATOM 1030 C GLU A 68 -2.206 11.571 -2.275 1.00 0.00 C ATOM 1031 O GLU A 68 -2.756 11.954 -1.252 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.979 12.267 -4.596 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.455 12.452 -4.224 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.257 12.901 -5.452 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.049 14.041 -5.927 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -6.069 12.120 -5.997 1.00 0.00 O ATOM 0 H GLU A 68 -0.232 11.457 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.179 13.539 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.737 12.939 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.833 11.250 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.860 11.517 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.548 13.192 -3.429 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.716 10.338 -2.400 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.889 9.299 -1.406 1.00 0.00 C ATOM 1045 C GLY A 69 -3.247 8.613 -1.545 1.00 0.00 C ATOM 1046 O GLY A 69 -3.703 7.974 -0.595 1.00 0.00 O ATOM 0 H GLY A 69 -1.179 10.036 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.094 8.560 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.798 9.729 -0.409 1.00 0.00 H new ATOM 1050 N LYS A 70 -3.928 8.774 -2.690 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.249 8.197 -2.911 1.00 0.00 C ATOM 1052 C LYS A 70 -5.139 6.684 -2.885 1.00 0.00 C ATOM 1053 O LYS A 70 -4.183 6.120 -3.415 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.920 8.693 -4.211 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.258 9.422 -3.955 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.434 8.929 -4.809 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.240 9.051 -6.323 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.013 10.448 -6.741 1.00 0.00 N ATOM 0 H LYS A 70 -3.573 9.308 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.901 8.533 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.239 9.366 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.095 7.843 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.520 9.311 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.116 10.487 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.624 7.883 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.326 9.489 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.392 8.438 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.119 8.658 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.072 10.514 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.736 11.060 -6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.070 10.755 -6.428 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.121 6.046 -2.266 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.149 4.630 -1.965 1.00 0.00 C ATOM 1074 C ILE A 71 -6.594 3.902 -3.226 1.00 0.00 C ATOM 1075 O ILE A 71 -7.768 3.555 -3.384 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.041 4.351 -0.735 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.514 5.174 0.461 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.105 2.849 -0.357 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.399 5.080 1.694 1.00 0.00 C ATOM 0 H ILE A 71 -6.960 6.530 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.162 4.260 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.058 4.647 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.511 4.831 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.427 6.219 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.747 2.720 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.510 2.280 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.103 2.489 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.971 5.681 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.396 5.451 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.466 4.041 2.016 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.654 3.719 -4.152 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.954 3.237 -5.487 1.00 0.00 C ATOM 1093 C LEU A 72 -6.476 1.810 -5.440 1.00 0.00 C ATOM 1094 O LEU A 72 -7.460 1.504 -6.110 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.715 3.284 -6.391 1.00 0.00 C ATOM 1096 CG LEU A 72 -4.040 4.655 -6.561 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -3.036 4.568 -7.718 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.051 5.778 -6.828 1.00 0.00 C ATOM 0 H LEU A 72 -4.664 3.903 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.719 3.894 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.977 2.587 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.999 2.919 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.534 4.902 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.549 5.534 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.285 3.811 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.560 4.297 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.522 6.725 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.604 5.560 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.746 5.848 -5.992 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.794 0.936 -4.688 1.00 0.00 N ATOM 1111 CA LYS A 73 -6.134 -0.469 -4.476 1.00 0.00 C ATOM 1112 C LYS A 73 -5.651 -0.889 -3.099 1.00 0.00 C ATOM 1113 O LYS A 73 -4.754 -0.262 -2.542 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.441 -1.360 -5.515 1.00 0.00 C ATOM 1115 CG LYS A 73 -6.157 -1.323 -6.864 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.354 -2.067 -7.923 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.328 -3.586 -7.769 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.632 -4.210 -8.118 1.00 0.00 N ATOM 0 H LYS A 73 -4.948 1.208 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.214 -0.581 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.409 -1.034 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.408 -2.386 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.146 -1.772 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.305 -0.289 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.763 -1.824 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.329 -1.698 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.547 -4.000 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.069 -3.841 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.561 -5.242 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.371 -3.848 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.876 -3.976 -9.101 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.177 -2.002 -2.603 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.913 -2.558 -1.281 1.00 0.00 C ATOM 1134 C VAL A 74 -5.833 -4.077 -1.488 1.00 0.00 C ATOM 1135 O VAL A 74 -6.658 -4.618 -2.227 1.00 0.00 O ATOM 1136 CB VAL A 74 -7.068 -2.147 -0.330 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.861 -2.598 1.125 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.286 -0.625 -0.271 1.00 0.00 C ATOM 0 H VAL A 74 -6.833 -2.570 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.990 -2.195 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.931 -2.651 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.708 -2.275 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.782 -3.685 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.945 -2.155 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.107 -0.401 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.377 -0.141 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.529 -0.253 -1.266 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.864 -4.752 -0.869 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.720 -6.204 -0.830 1.00 0.00 C ATOM 1150 C TYR A 75 -4.338 -6.584 0.599 1.00 0.00 C ATOM 1151 O TYR A 75 -3.597 -5.844 1.241 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.625 -6.687 -1.786 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.020 -6.741 -3.251 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.777 -7.814 -3.751 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.573 -5.749 -4.134 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.110 -7.877 -5.114 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -3.901 -5.800 -5.499 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.697 -6.853 -5.996 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.048 -6.858 -7.317 1.00 0.00 O ATOM 0 H TYR A 75 -4.122 -4.275 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.656 -6.669 -1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.761 -6.031 -1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.308 -7.682 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.105 -8.596 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.969 -4.935 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.684 -8.711 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.543 -5.032 -6.169 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.915 -7.303 -7.424 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.802 -7.720 1.105 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.505 -8.176 2.462 1.00 0.00 C ATOM 1171 C ASP A 76 -3.043 -8.610 2.604 1.00 0.00 C ATOM 1172 O ASP A 76 -2.406 -8.961 1.614 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.436 -9.353 2.727 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.510 -9.835 4.174 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.848 -9.257 5.064 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.268 -10.815 4.342 1.00 0.00 O ATOM 0 H ASP A 76 -5.401 -8.359 0.582 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.657 -7.370 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.440 -9.076 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.120 -10.188 2.102 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.510 -8.650 3.825 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.164 -9.133 4.113 1.00 0.00 C ATOM 1183 C GLY A 77 -1.003 -10.609 3.766 1.00 0.00 C ATOM 1184 O GLY A 77 0.095 -11.024 3.387 1.00 0.00 O ATOM 0 H GLY A 77 -3.014 -8.341 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.439 -8.546 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.943 -8.982 5.170 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.089 -11.389 3.834 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.105 -12.812 3.495 1.00 0.00 C ATOM 1190 C GLU A 78 -1.627 -13.079 2.057 1.00 0.00 C ATOM 1191 O GLU A 78 -1.143 -14.178 1.777 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.500 -13.428 3.740 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.826 -13.491 5.246 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.945 -14.462 5.656 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -5.817 -14.815 4.823 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.922 -14.842 6.851 1.00 0.00 O ATOM 0 H GLU A 78 -2.999 -11.038 4.133 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.394 -13.302 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.257 -12.836 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.537 -14.431 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.918 -13.768 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.101 -12.490 5.580 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.675 -12.085 1.157 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.215 -12.243 -0.217 1.00 0.00 C ATOM 1205 C ILE A 79 0.273 -12.574 -0.273 1.00 0.00 C ATOM 1206 O ILE A 79 0.718 -13.274 -1.178 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.529 -10.966 -1.021 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.391 -11.262 -2.525 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.613 -9.775 -0.655 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.222 -10.314 -3.387 1.00 0.00 C ATOM 0 H ILE A 79 -2.034 -11.154 1.368 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.747 -13.082 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.549 -10.677 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.342 -11.184 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.699 -12.289 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.886 -8.908 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.732 -9.536 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.426 -10.041 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.088 -10.567 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.275 -10.410 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.897 -9.288 -3.216 1.00 0.00 H new ATOM 1222 N PHE A 80 1.048 -12.085 0.697 1.00 0.00 N ATOM 1223 CA PHE A 80 2.493 -12.200 0.690 1.00 0.00 C ATOM 1224 C PHE A 80 2.949 -13.659 0.836 1.00 0.00 C ATOM 1225 O PHE A 80 4.122 -13.957 0.606 1.00 0.00 O ATOM 1226 CB PHE A 80 3.046 -11.296 1.803 1.00 0.00 C ATOM 1227 CG PHE A 80 4.558 -11.226 1.830 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.262 -10.672 0.745 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.266 -11.804 2.899 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.668 -10.701 0.734 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.669 -11.815 2.891 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.372 -11.257 1.813 1.00 0.00 C ATOM 0 H PHE A 80 0.680 -11.595 1.513 1.00 0.00 H new ATOM 0 HA PHE A 80 2.889 -11.871 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.646 -10.290 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.690 -11.661 2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.724 -10.225 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.729 -12.240 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.208 -10.294 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.209 -12.254 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.452 -11.255 1.813 1.00 0.00 H new ATOM 1242 N TYR A 81 2.045 -14.574 1.198 1.00 0.00 N ATOM 1243 CA TYR A 81 2.341 -15.984 1.420 1.00 0.00 C ATOM 1244 C TYR A 81 1.871 -16.863 0.259 1.00 0.00 C ATOM 1245 O TYR A 81 2.215 -18.049 0.230 1.00 0.00 O ATOM 1246 CB TYR A 81 1.705 -16.419 2.740 1.00 0.00 C ATOM 1247 CG TYR A 81 2.152 -15.547 3.894 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.349 -15.830 4.576 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.415 -14.393 4.213 1.00 0.00 C ATOM 1250 CE1 TYR A 81 3.794 -14.966 5.593 1.00 0.00 C ATOM 1251 CE2 TYR A 81 1.853 -13.523 5.218 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.035 -13.822 5.922 1.00 0.00 C ATOM 1253 OH TYR A 81 3.420 -13.024 6.949 1.00 0.00 O ATOM 0 H TYR A 81 1.063 -14.344 1.348 1.00 0.00 H new ATOM 0 HA TYR A 81 3.422 -16.110 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.619 -16.377 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.968 -17.457 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.924 -16.707 4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.503 -14.176 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.713 -15.177 6.120 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.290 -12.631 5.451 1.00 0.00 H new ATOM 0 HH TYR A 81 2.788 -12.280 7.040 1.00 0.00 H new ATOM 1263 N HIS A 82 1.129 -16.281 -0.692 1.00 0.00 N ATOM 1264 CA HIS A 82 0.675 -16.882 -1.936 1.00 0.00 C ATOM 1265 C HIS A 82 1.875 -17.454 -2.715 1.00 0.00 C ATOM 1266 O HIS A 82 3.046 -17.242 -2.370 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.103 -15.807 -2.722 1.00 0.00 C ATOM 1268 CG HIS A 82 -0.861 -16.293 -3.929 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.032 -17.016 -3.929 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -0.539 -16.020 -5.228 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.366 -17.234 -5.217 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -1.494 -16.630 -6.044 1.00 0.00 N ATOM 0 H HIS A 82 0.814 -15.315 -0.599 1.00 0.00 H new ATOM 0 HA HIS A 82 0.007 -17.724 -1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.808 -15.328 -2.043 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.601 -15.040 -3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.305 -15.436 -5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.217 -17.814 -5.540 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.524 -16.620 -7.063 1.00 0.00 H new ATOM 1280 N ARG A 83 1.594 -18.199 -3.785 1.00 0.00 N ATOM 1281 CA ARG A 83 2.578 -18.931 -4.566 1.00 0.00 C ATOM 1282 C ARG A 83 2.350 -18.595 -6.027 1.00 0.00 C ATOM 1283 O ARG A 83 3.321 -18.675 -6.810 1.00 0.00 O ATOM 1284 CB ARG A 83 2.491 -20.443 -4.298 1.00 0.00 C ATOM 1285 CG ARG A 83 2.718 -20.767 -2.809 1.00 0.00 C ATOM 1286 CD ARG A 83 3.187 -22.207 -2.547 1.00 0.00 C ATOM 1287 NE ARG A 83 2.333 -22.964 -1.611 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.618 -24.169 -1.096 1.00 0.00 C ATOM 1289 NH1 ARG A 83 3.775 -24.776 -1.345 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.725 -24.774 -0.326 1.00 0.00 N ATOM 0 H ARG A 83 0.644 -18.310 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 83 3.587 -18.636 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.513 -20.813 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.234 -20.964 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.458 -20.076 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.790 -20.593 -2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.228 -22.741 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.203 -22.180 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 83 1.451 -22.534 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.470 -24.325 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.967 -25.693 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.831 -24.323 -0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.931 -25.691 0.071 1.00 0.00 H new TER 1304 ARG A 83