USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 598 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00786 USER MOD Single : A 32 SER OG : rot -44:sc= 0.00306 USER MOD Single : A 33 SER OG : rot 41:sc= -1.9! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= -0.106 (180deg=-0.807) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 90:sc= -2.95! USER MOD Single : A 43 THR OG1 : rot -74:sc= -0.192 USER MOD Single : A 49 MET CE :methyl 179:sc= -0.115 (180deg=-0.117) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.71 K(o=-3.7,f=-9.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 106:sc= 1.13 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -3.19! C(o=-3.2!,f=-13!) USER MOD Single : A 76 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.8!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 83 MET CE :methyl -123:sc= -4.94! (180deg=-6.86!) USER MOD Single : A 86 ASN : amide:sc= -0.0292 K(o=-0.029,f=-1.5!) USER MOD Single : A 92 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 3.958 -1.500 -1.326 1.00 0.00 N ATOM 18 CA THR A 22 5.337 -1.913 -1.129 1.00 0.00 C ATOM 19 C THR A 22 6.203 -1.461 -2.307 1.00 0.00 C ATOM 20 O THR A 22 5.835 -1.659 -3.464 1.00 0.00 O ATOM 21 CB THR A 22 5.351 -3.427 -0.910 1.00 0.00 C ATOM 22 OG1 THR A 22 5.925 -3.585 0.385 1.00 0.00 O ATOM 23 CG2 THR A 22 6.330 -4.145 -1.842 1.00 0.00 C ATOM 0 HA THR A 22 5.769 -1.439 -0.248 1.00 0.00 H new ATOM 0 HB THR A 22 4.348 -3.825 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.970 -4.538 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.300 -5.217 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.049 -3.959 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.339 -3.772 -1.667 1.00 0.00 H new ATOM 31 N HIS A 23 7.336 -0.863 -1.971 1.00 0.00 N ATOM 32 CA HIS A 23 8.257 -0.381 -2.987 1.00 0.00 C ATOM 33 C HIS A 23 9.190 -1.517 -3.413 1.00 0.00 C ATOM 34 O HIS A 23 9.813 -2.162 -2.572 1.00 0.00 O ATOM 35 CB HIS A 23 9.013 0.854 -2.494 1.00 0.00 C ATOM 36 CG HIS A 23 8.119 2.010 -2.115 1.00 0.00 C ATOM 37 ND1 HIS A 23 6.797 2.098 -2.515 1.00 0.00 N ATOM 38 CD2 HIS A 23 8.370 3.124 -1.368 1.00 0.00 C ATOM 39 CE1 HIS A 23 6.286 3.219 -2.026 1.00 0.00 C ATOM 40 NE2 HIS A 23 7.263 3.853 -1.316 1.00 0.00 N ATOM 0 H HIS A 23 7.638 -0.701 -1.010 1.00 0.00 H new ATOM 0 HA HIS A 23 7.699 -0.065 -3.868 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.617 0.577 -1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.702 1.181 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.311 3.370 -0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.274 3.569 -2.165 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.159 4.741 -0.826 1.00 0.00 H new ATOM 48 N ILE A 24 9.257 -1.725 -4.720 1.00 0.00 N ATOM 49 CA ILE A 24 10.104 -2.771 -5.268 1.00 0.00 C ATOM 50 C ILE A 24 10.442 -2.438 -6.723 1.00 0.00 C ATOM 51 O ILE A 24 10.031 -1.399 -7.236 1.00 0.00 O ATOM 52 CB ILE A 24 9.447 -4.142 -5.087 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.146 -4.236 -5.887 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.234 -4.456 -3.605 1.00 0.00 C ATOM 55 CD1 ILE A 24 7.730 -5.695 -6.086 1.00 0.00 C ATOM 0 H ILE A 24 8.739 -1.187 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 24 11.048 -2.821 -4.725 1.00 0.00 H new ATOM 0 HB ILE A 24 10.123 -4.900 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.355 -3.696 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.275 -3.755 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.766 -5.435 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.196 -4.459 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.588 -3.698 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.803 -5.734 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.513 -6.226 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.578 -6.166 -5.115 1.00 0.00 H new ATOM 67 N ASN A 25 11.186 -3.340 -7.345 1.00 0.00 N ATOM 68 CA ASN A 25 11.583 -3.155 -8.731 1.00 0.00 C ATOM 69 C ASN A 25 10.633 -3.938 -9.638 1.00 0.00 C ATOM 70 O ASN A 25 10.118 -4.985 -9.249 1.00 0.00 O ATOM 71 CB ASN A 25 13.002 -3.676 -8.971 1.00 0.00 C ATOM 72 CG ASN A 25 13.033 -5.205 -8.962 1.00 0.00 C ATOM 73 OD1 ASN A 25 12.878 -5.861 -9.979 1.00 0.00 O ATOM 74 ND2 ASN A 25 13.243 -5.735 -7.760 1.00 0.00 N ATOM 0 H ASN A 25 11.525 -4.201 -6.915 1.00 0.00 H new ATOM 0 HA ASN A 25 11.547 -2.088 -8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.372 -3.307 -9.928 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.670 -3.291 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.282 -6.748 -7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.365 -5.128 -6.949 1.00 0.00 H new ATOM 81 N LEU A 26 10.428 -3.399 -10.832 1.00 0.00 N ATOM 82 CA LEU A 26 9.548 -4.034 -11.798 1.00 0.00 C ATOM 83 C LEU A 26 10.292 -4.206 -13.123 1.00 0.00 C ATOM 84 O LEU A 26 11.054 -3.330 -13.529 1.00 0.00 O ATOM 85 CB LEU A 26 8.238 -3.252 -11.925 1.00 0.00 C ATOM 86 CG LEU A 26 7.488 -3.410 -13.249 1.00 0.00 C ATOM 87 CD1 LEU A 26 5.991 -3.614 -13.010 1.00 0.00 C ATOM 88 CD2 LEU A 26 7.764 -2.228 -14.180 1.00 0.00 C ATOM 0 H LEU A 26 10.856 -2.530 -11.152 1.00 0.00 H new ATOM 0 HA LEU A 26 9.266 -5.031 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.575 -3.559 -11.116 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.454 -2.194 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 26 7.859 -4.306 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.481 -3.724 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.837 -4.512 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.586 -2.752 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.219 -2.365 -15.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.438 -1.304 -13.702 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.832 -2.171 -14.389 1.00 0.00 H new ATOM 100 N LYS A 27 10.045 -5.340 -13.762 1.00 0.00 N ATOM 101 CA LYS A 27 10.682 -5.638 -15.033 1.00 0.00 C ATOM 102 C LYS A 27 9.649 -6.238 -15.988 1.00 0.00 C ATOM 103 O LYS A 27 9.110 -7.313 -15.730 1.00 0.00 O ATOM 104 CB LYS A 27 11.912 -6.524 -14.821 1.00 0.00 C ATOM 105 CG LYS A 27 12.597 -6.837 -16.153 1.00 0.00 C ATOM 106 CD LYS A 27 11.769 -7.827 -16.976 1.00 0.00 C ATOM 107 CE LYS A 27 12.651 -8.942 -17.540 1.00 0.00 C ATOM 108 NZ LYS A 27 12.730 -10.073 -16.588 1.00 0.00 N ATOM 0 H LYS A 27 9.412 -6.064 -13.423 1.00 0.00 H new ATOM 0 HA LYS A 27 11.052 -4.724 -15.497 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.615 -6.024 -14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.616 -7.453 -14.333 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.738 -5.916 -16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.588 -7.252 -15.968 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.986 -8.258 -16.353 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.274 -7.302 -17.793 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.246 -9.287 -18.491 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.651 -8.557 -17.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.333 -10.821 -16.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.137 -9.743 -15.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.776 -10.451 -16.418 1.00 0.00 H new ATOM 121 N VAL A 28 9.403 -5.517 -17.072 1.00 0.00 N ATOM 122 CA VAL A 28 8.444 -5.965 -18.068 1.00 0.00 C ATOM 123 C VAL A 28 9.192 -6.613 -19.235 1.00 0.00 C ATOM 124 O VAL A 28 10.029 -5.975 -19.871 1.00 0.00 O ATOM 125 CB VAL A 28 7.556 -4.797 -18.502 1.00 0.00 C ATOM 126 CG1 VAL A 28 7.339 -3.815 -17.348 1.00 0.00 C ATOM 127 CG2 VAL A 28 8.143 -4.086 -19.723 1.00 0.00 C ATOM 0 H VAL A 28 9.851 -4.625 -17.283 1.00 0.00 H new ATOM 0 HA VAL A 28 7.781 -6.721 -17.647 1.00 0.00 H new ATOM 0 HB VAL A 28 6.584 -5.202 -18.785 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.705 -2.994 -17.683 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.857 -4.331 -16.517 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.301 -3.420 -17.021 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.492 -3.260 -20.011 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.133 -3.700 -19.478 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.223 -4.791 -20.551 1.00 0.00 H new ATOM 137 N SER A 29 8.862 -7.873 -19.480 1.00 0.00 N ATOM 138 CA SER A 29 9.492 -8.614 -20.560 1.00 0.00 C ATOM 139 C SER A 29 8.611 -8.568 -21.810 1.00 0.00 C ATOM 140 O SER A 29 7.558 -9.202 -21.855 1.00 0.00 O ATOM 141 CB SER A 29 9.756 -10.064 -20.150 1.00 0.00 C ATOM 142 OG SER A 29 9.346 -10.324 -18.810 1.00 0.00 O ATOM 0 H SER A 29 8.167 -8.399 -18.950 1.00 0.00 H new ATOM 0 HA SER A 29 10.451 -8.146 -20.782 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.227 -10.734 -20.827 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.819 -10.282 -20.252 1.00 0.00 H new ATOM 0 HG SER A 29 9.530 -11.261 -18.588 1.00 0.00 H new ATOM 148 N ASP A 30 9.074 -7.812 -22.794 1.00 0.00 N ATOM 149 CA ASP A 30 8.342 -7.675 -24.041 1.00 0.00 C ATOM 150 C ASP A 30 9.314 -7.802 -25.215 1.00 0.00 C ATOM 151 O ASP A 30 10.448 -7.330 -25.141 1.00 0.00 O ATOM 152 CB ASP A 30 7.665 -6.306 -24.135 1.00 0.00 C ATOM 153 CG ASP A 30 6.604 -6.183 -25.231 1.00 0.00 C ATOM 154 OD1 ASP A 30 5.465 -5.766 -24.974 1.00 0.00 O ATOM 155 OD2 ASP A 30 6.993 -6.540 -26.408 1.00 0.00 O ATOM 0 H ASP A 30 9.948 -7.288 -22.753 1.00 0.00 H new ATOM 0 HA ASP A 30 7.583 -8.456 -24.073 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.202 -6.080 -23.175 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.431 -5.550 -24.305 1.00 0.00 H new ATOM 161 N GLY A 31 8.836 -8.443 -26.272 1.00 0.00 N ATOM 162 CA GLY A 31 9.649 -8.639 -27.460 1.00 0.00 C ATOM 163 C GLY A 31 10.802 -7.634 -27.507 1.00 0.00 C ATOM 164 O GLY A 31 11.955 -7.997 -27.281 1.00 0.00 O ATOM 0 H GLY A 31 7.895 -8.833 -26.330 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.046 -9.654 -27.470 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.030 -8.530 -28.351 1.00 0.00 H new ATOM 168 N SER A 32 10.451 -6.391 -27.801 1.00 0.00 N ATOM 169 CA SER A 32 11.442 -5.332 -27.880 1.00 0.00 C ATOM 170 C SER A 32 11.109 -4.228 -26.875 1.00 0.00 C ATOM 171 O SER A 32 11.862 -3.265 -26.733 1.00 0.00 O ATOM 172 CB SER A 32 11.520 -4.756 -29.295 1.00 0.00 C ATOM 173 OG SER A 32 12.774 -4.126 -29.547 1.00 0.00 O ATOM 0 H SER A 32 9.493 -6.093 -27.987 1.00 0.00 H new ATOM 0 HA SER A 32 12.416 -5.756 -27.635 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.363 -5.554 -30.020 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.716 -4.034 -29.437 1.00 0.00 H new ATOM 0 HG SER A 32 13.021 -3.570 -28.779 1.00 0.00 H new ATOM 179 N SER A 33 9.981 -4.404 -26.203 1.00 0.00 N ATOM 180 CA SER A 33 9.539 -3.434 -25.215 1.00 0.00 C ATOM 181 C SER A 33 10.101 -3.796 -23.839 1.00 0.00 C ATOM 182 O SER A 33 9.847 -3.099 -22.858 1.00 0.00 O ATOM 183 CB SER A 33 8.012 -3.358 -25.162 1.00 0.00 C ATOM 184 OG SER A 33 7.511 -3.601 -23.850 1.00 0.00 O ATOM 0 H SER A 33 9.360 -5.204 -26.323 1.00 0.00 H new ATOM 0 HA SER A 33 9.914 -2.453 -25.507 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.686 -2.374 -25.498 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.588 -4.087 -25.853 1.00 0.00 H new ATOM 0 HG SER A 33 8.087 -3.157 -23.193 1.00 0.00 H new ATOM 190 N GLU A 34 10.855 -4.886 -23.811 1.00 0.00 N ATOM 191 CA GLU A 34 11.455 -5.349 -22.571 1.00 0.00 C ATOM 192 C GLU A 34 12.177 -4.197 -21.869 1.00 0.00 C ATOM 193 O GLU A 34 13.232 -3.754 -22.321 1.00 0.00 O ATOM 194 CB GLU A 34 12.406 -6.519 -22.826 1.00 0.00 C ATOM 195 CG GLU A 34 13.651 -6.058 -23.587 1.00 0.00 C ATOM 196 CD GLU A 34 14.294 -7.222 -24.343 1.00 0.00 C ATOM 197 OE1 GLU A 34 15.182 -7.898 -23.802 1.00 0.00 O ATOM 198 OE2 GLU A 34 13.841 -7.415 -25.535 1.00 0.00 O ATOM 0 H GLU A 34 11.064 -5.461 -24.627 1.00 0.00 H new ATOM 0 HA GLU A 34 10.660 -5.707 -21.916 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.701 -6.966 -21.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.892 -7.292 -23.397 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.381 -5.269 -24.289 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.371 -5.631 -22.889 1.00 0.00 H new ATOM 206 N ILE A 35 11.581 -3.746 -20.775 1.00 0.00 N ATOM 207 CA ILE A 35 12.155 -2.655 -20.005 1.00 0.00 C ATOM 208 C ILE A 35 12.274 -3.078 -18.540 1.00 0.00 C ATOM 209 O ILE A 35 11.467 -3.866 -18.050 1.00 0.00 O ATOM 210 CB ILE A 35 11.348 -1.372 -20.212 1.00 0.00 C ATOM 211 CG1 ILE A 35 12.263 -0.202 -20.580 1.00 0.00 C ATOM 212 CG2 ILE A 35 10.487 -1.063 -18.985 1.00 0.00 C ATOM 213 CD1 ILE A 35 12.719 0.552 -19.329 1.00 0.00 C ATOM 0 H ILE A 35 10.706 -4.116 -20.403 1.00 0.00 H new ATOM 0 HA ILE A 35 13.163 -2.430 -20.354 1.00 0.00 H new ATOM 0 HB ILE A 35 10.670 -1.526 -21.051 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.133 -0.573 -21.123 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.737 0.480 -21.248 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.923 -0.146 -19.158 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.795 -1.887 -18.809 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.129 -0.936 -18.113 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.368 1.378 -19.619 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.848 0.942 -18.802 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.266 -0.127 -18.674 1.00 0.00 H new ATOM 225 N PHE A 36 13.288 -2.535 -17.881 1.00 0.00 N ATOM 226 CA PHE A 36 13.523 -2.846 -16.482 1.00 0.00 C ATOM 227 C PHE A 36 13.872 -1.584 -15.691 1.00 0.00 C ATOM 228 O PHE A 36 14.787 -0.849 -16.059 1.00 0.00 O ATOM 229 CB PHE A 36 14.710 -3.810 -16.431 1.00 0.00 C ATOM 230 CG PHE A 36 15.655 -3.697 -17.630 1.00 0.00 C ATOM 231 CD1 PHE A 36 16.668 -2.791 -17.614 1.00 0.00 C ATOM 232 CD2 PHE A 36 15.480 -4.504 -18.711 1.00 0.00 C ATOM 233 CE1 PHE A 36 17.544 -2.686 -18.727 1.00 0.00 C ATOM 234 CE2 PHE A 36 16.356 -4.400 -19.823 1.00 0.00 C ATOM 235 CZ PHE A 36 17.370 -3.493 -19.808 1.00 0.00 C ATOM 0 H PHE A 36 13.956 -1.882 -18.291 1.00 0.00 H new ATOM 0 HA PHE A 36 12.626 -3.282 -16.042 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.275 -3.626 -15.517 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.333 -4.831 -16.373 1.00 0.00 H new ATOM 0 HD1 PHE A 36 16.807 -2.151 -16.755 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.675 -5.224 -18.723 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.348 -1.965 -18.715 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.218 -5.041 -20.681 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.037 -3.414 -20.654 1.00 0.00 H new ATOM 245 N PHE A 37 13.124 -1.371 -14.618 1.00 0.00 N ATOM 246 CA PHE A 37 13.343 -0.210 -13.772 1.00 0.00 C ATOM 247 C PHE A 37 12.718 -0.413 -12.390 1.00 0.00 C ATOM 248 O PHE A 37 11.854 -1.271 -12.215 1.00 0.00 O ATOM 249 CB PHE A 37 12.663 0.977 -14.456 1.00 0.00 C ATOM 250 CG PHE A 37 11.136 0.884 -14.490 1.00 0.00 C ATOM 251 CD1 PHE A 37 10.528 -0.035 -15.287 1.00 0.00 C ATOM 252 CD2 PHE A 37 10.386 1.722 -13.724 1.00 0.00 C ATOM 253 CE1 PHE A 37 9.111 -0.121 -15.319 1.00 0.00 C ATOM 254 CE2 PHE A 37 8.969 1.636 -13.756 1.00 0.00 C ATOM 255 CZ PHE A 37 8.362 0.716 -14.552 1.00 0.00 C ATOM 0 H PHE A 37 12.366 -1.983 -14.315 1.00 0.00 H new ATOM 0 HA PHE A 37 14.412 -0.044 -13.637 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.950 1.893 -13.940 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.035 1.056 -15.478 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.123 -0.700 -15.896 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.868 2.453 -13.092 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.628 -0.851 -15.952 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.374 2.301 -13.148 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.284 0.650 -14.575 1.00 0.00 H new ATOM 265 N LYS A 38 13.180 0.390 -11.443 1.00 0.00 N ATOM 266 CA LYS A 38 12.677 0.309 -10.082 1.00 0.00 C ATOM 267 C LYS A 38 11.474 1.242 -9.931 1.00 0.00 C ATOM 268 O LYS A 38 11.367 2.243 -10.638 1.00 0.00 O ATOM 269 CB LYS A 38 13.799 0.586 -9.079 1.00 0.00 C ATOM 270 CG LYS A 38 14.928 -0.436 -9.224 1.00 0.00 C ATOM 271 CD LYS A 38 16.059 0.117 -10.094 1.00 0.00 C ATOM 272 CE LYS A 38 17.069 -0.979 -10.441 1.00 0.00 C ATOM 273 NZ LYS A 38 18.435 -0.416 -10.527 1.00 0.00 N ATOM 0 H LYS A 38 13.897 1.100 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 38 12.328 -0.700 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.191 1.591 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.401 0.553 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.316 -0.697 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.539 -1.353 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.645 0.539 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.563 0.928 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.039 -1.762 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.800 -1.443 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.108 -1.173 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.463 0.315 -11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.695 0.006 -9.612 1.00 0.00 H new ATOM 286 N ILE A 39 10.597 0.880 -9.006 1.00 0.00 N ATOM 287 CA ILE A 39 9.405 1.672 -8.753 1.00 0.00 C ATOM 288 C ILE A 39 9.046 1.585 -7.269 1.00 0.00 C ATOM 289 O ILE A 39 9.620 0.784 -6.533 1.00 0.00 O ATOM 290 CB ILE A 39 8.271 1.245 -9.687 1.00 0.00 C ATOM 291 CG1 ILE A 39 7.447 0.114 -9.067 1.00 0.00 C ATOM 292 CG2 ILE A 39 8.809 0.871 -11.069 1.00 0.00 C ATOM 293 CD1 ILE A 39 8.220 -1.206 -9.096 1.00 0.00 C ATOM 0 H ILE A 39 10.688 0.048 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 39 9.591 2.723 -8.975 1.00 0.00 H new ATOM 0 HB ILE A 39 7.602 2.095 -9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.191 0.367 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.509 0.002 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.982 0.571 -11.713 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.316 1.731 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.513 0.044 -10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.612 -1.993 -8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.453 -1.469 -10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.146 -1.098 -8.531 1.00 0.00 H new ATOM 305 N LYS A 40 8.098 2.422 -6.872 1.00 0.00 N ATOM 306 CA LYS A 40 7.655 2.450 -5.489 1.00 0.00 C ATOM 307 C LYS A 40 6.272 1.802 -5.387 1.00 0.00 C ATOM 308 O LYS A 40 5.301 2.459 -5.016 1.00 0.00 O ATOM 309 CB LYS A 40 7.708 3.876 -4.938 1.00 0.00 C ATOM 310 CG LYS A 40 9.050 4.538 -5.257 1.00 0.00 C ATOM 311 CD LYS A 40 10.009 4.431 -4.070 1.00 0.00 C ATOM 312 CE LYS A 40 10.433 5.817 -3.580 1.00 0.00 C ATOM 313 NZ LYS A 40 9.245 6.636 -3.251 1.00 0.00 N ATOM 0 H LYS A 40 7.625 3.086 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 40 8.328 1.865 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.897 4.465 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.554 3.859 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.494 4.064 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.892 5.587 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.528 3.886 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.890 3.859 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.070 5.719 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.024 6.316 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.470 7.272 -2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.972 7.200 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.457 6.013 -2.982 1.00 0.00 H new ATOM 326 N LYS A 41 6.228 0.521 -5.724 1.00 0.00 N ATOM 327 CA LYS A 41 4.981 -0.222 -5.675 1.00 0.00 C ATOM 328 C LYS A 41 5.229 -1.658 -6.142 1.00 0.00 C ATOM 329 O LYS A 41 5.989 -1.886 -7.082 1.00 0.00 O ATOM 330 CB LYS A 41 3.893 0.503 -6.469 1.00 0.00 C ATOM 331 CG LYS A 41 2.798 1.034 -5.541 1.00 0.00 C ATOM 332 CD LYS A 41 1.811 1.918 -6.306 1.00 0.00 C ATOM 333 CE LYS A 41 1.409 3.138 -5.475 1.00 0.00 C ATOM 334 NZ LYS A 41 -0.063 3.291 -5.458 1.00 0.00 N ATOM 0 H LYS A 41 7.036 -0.021 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 41 4.612 -0.278 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.334 1.329 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.457 -0.178 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.266 0.199 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.249 1.605 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.261 2.245 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.923 1.340 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.781 3.030 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.869 4.035 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.319 4.124 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.410 3.415 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.496 2.442 -5.042 1.00 0.00 H new ATOM 347 N THR A 42 4.574 -2.589 -5.464 1.00 0.00 N ATOM 348 CA THR A 42 4.714 -3.996 -5.798 1.00 0.00 C ATOM 349 C THR A 42 3.628 -4.420 -6.789 1.00 0.00 C ATOM 350 O THR A 42 3.929 -4.952 -7.856 1.00 0.00 O ATOM 351 CB THR A 42 4.693 -4.796 -4.494 1.00 0.00 C ATOM 352 OG1 THR A 42 3.974 -5.980 -4.825 1.00 0.00 O ATOM 353 CG2 THR A 42 3.839 -4.131 -3.413 1.00 0.00 C ATOM 0 H THR A 42 3.945 -2.396 -4.685 1.00 0.00 H new ATOM 0 HA THR A 42 5.662 -4.191 -6.300 1.00 0.00 H new ATOM 0 HB THR A 42 5.712 -4.919 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.599 -6.664 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.858 -4.739 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.237 -3.141 -3.193 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.812 -4.039 -3.766 1.00 0.00 H new ATOM 361 N THR A 43 2.387 -4.168 -6.400 1.00 0.00 N ATOM 362 CA THR A 43 1.254 -4.516 -7.240 1.00 0.00 C ATOM 363 C THR A 43 1.645 -4.449 -8.718 1.00 0.00 C ATOM 364 O THR A 43 1.549 -3.394 -9.342 1.00 0.00 O ATOM 365 CB THR A 43 0.092 -3.589 -6.877 1.00 0.00 C ATOM 366 OG1 THR A 43 -0.608 -3.412 -8.105 1.00 0.00 O ATOM 367 CG2 THR A 43 0.561 -2.180 -6.508 1.00 0.00 C ATOM 0 H THR A 43 2.141 -3.727 -5.514 1.00 0.00 H new ATOM 0 HA THR A 43 0.935 -5.544 -7.066 1.00 0.00 H new ATOM 0 HB THR A 43 -0.466 -4.016 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.097 -2.814 -8.690 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.302 -1.563 -6.259 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.230 -2.232 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.090 -1.740 -7.353 1.00 0.00 H new ATOM 375 N PRO A 44 2.090 -5.620 -9.248 1.00 0.00 N ATOM 376 CA PRO A 44 2.496 -5.705 -10.641 1.00 0.00 C ATOM 377 C PRO A 44 1.279 -5.706 -11.568 1.00 0.00 C ATOM 378 O PRO A 44 1.251 -4.984 -12.563 1.00 0.00 O ATOM 379 CB PRO A 44 3.316 -6.981 -10.735 1.00 0.00 C ATOM 380 CG PRO A 44 2.952 -7.801 -9.508 1.00 0.00 C ATOM 381 CD PRO A 44 2.216 -6.890 -8.539 1.00 0.00 C ATOM 0 HA PRO A 44 3.085 -4.845 -10.961 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.087 -7.526 -11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.383 -6.759 -10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.325 -8.648 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.849 -8.209 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.239 -7.296 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.771 -6.771 -7.608 1.00 0.00 H new ATOM 389 N LEU A 45 0.302 -6.526 -11.208 1.00 0.00 N ATOM 390 CA LEU A 45 -0.915 -6.631 -11.995 1.00 0.00 C ATOM 391 C LEU A 45 -1.300 -5.246 -12.519 1.00 0.00 C ATOM 392 O LEU A 45 -1.704 -5.105 -13.672 1.00 0.00 O ATOM 393 CB LEU A 45 -2.020 -7.311 -11.185 1.00 0.00 C ATOM 394 CG LEU A 45 -2.472 -6.579 -9.920 1.00 0.00 C ATOM 395 CD1 LEU A 45 -3.674 -7.277 -9.282 1.00 0.00 C ATOM 396 CD2 LEU A 45 -1.312 -6.418 -8.935 1.00 0.00 C ATOM 0 H LEU A 45 0.329 -7.124 -10.382 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.752 -7.267 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.887 -7.446 -11.832 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.676 -8.306 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.795 -5.577 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.975 -6.736 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.503 -7.295 -9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.402 -8.299 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.661 -5.895 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.935 -7.401 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.513 -5.843 -9.404 1.00 0.00 H new ATOM 408 N ARG A 46 -1.161 -4.259 -11.646 1.00 0.00 N ATOM 409 CA ARG A 46 -1.489 -2.890 -12.006 1.00 0.00 C ATOM 410 C ARG A 46 -0.240 -2.158 -12.501 1.00 0.00 C ATOM 411 O ARG A 46 -0.339 -1.212 -13.281 1.00 0.00 O ATOM 412 CB ARG A 46 -2.077 -2.133 -10.814 1.00 0.00 C ATOM 413 CG ARG A 46 -3.570 -2.429 -10.659 1.00 0.00 C ATOM 414 CD ARG A 46 -3.964 -2.506 -9.183 1.00 0.00 C ATOM 415 NE ARG A 46 -5.345 -2.006 -9.000 1.00 0.00 N ATOM 416 CZ ARG A 46 -5.672 -0.699 -8.919 1.00 0.00 C ATOM 417 NH1 ARG A 46 -4.717 0.253 -9.003 1.00 0.00 N ATOM 418 NH2 ARG A 46 -6.938 -0.365 -8.755 1.00 0.00 N ATOM 0 H ARG A 46 -0.826 -4.380 -10.690 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.233 -2.925 -12.802 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.550 -2.416 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.927 -1.062 -10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.152 -1.651 -11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.811 -3.370 -11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.892 -3.536 -8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.272 -1.915 -8.582 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.097 -2.692 -8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.741 -0.014 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.972 1.239 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.653 -1.090 -8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.202 0.618 -8.692 1.00 0.00 H new ATOM 431 N ARG A 47 0.907 -2.622 -12.027 1.00 0.00 N ATOM 432 CA ARG A 47 2.173 -2.023 -12.412 1.00 0.00 C ATOM 433 C ARG A 47 2.432 -2.240 -13.904 1.00 0.00 C ATOM 434 O ARG A 47 2.438 -1.286 -14.681 1.00 0.00 O ATOM 435 CB ARG A 47 3.331 -2.620 -11.609 1.00 0.00 C ATOM 436 CG ARG A 47 4.404 -1.566 -11.328 1.00 0.00 C ATOM 437 CD ARG A 47 4.152 -0.869 -9.990 1.00 0.00 C ATOM 438 NE ARG A 47 4.124 0.598 -10.180 1.00 0.00 N ATOM 439 CZ ARG A 47 3.002 1.309 -10.421 1.00 0.00 C ATOM 440 NH1 ARG A 47 1.804 0.692 -10.503 1.00 0.00 N ATOM 441 NH2 ARG A 47 3.094 2.617 -10.576 1.00 0.00 N ATOM 0 H ARG A 47 0.986 -3.406 -11.380 1.00 0.00 H new ATOM 0 HA ARG A 47 2.112 -0.955 -12.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.956 -3.022 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.769 -3.452 -12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.387 -2.037 -11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.413 -0.828 -12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.206 -1.207 -9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.933 -1.137 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 47 5.008 1.104 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.742 -0.319 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.961 1.237 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.003 3.075 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.256 3.169 -10.759 1.00 0.00 H new ATOM 454 N LEU A 48 2.638 -3.499 -14.259 1.00 0.00 N ATOM 455 CA LEU A 48 2.896 -3.853 -15.645 1.00 0.00 C ATOM 456 C LEU A 48 1.771 -3.305 -16.525 1.00 0.00 C ATOM 457 O LEU A 48 2.015 -2.860 -17.645 1.00 0.00 O ATOM 458 CB LEU A 48 3.105 -5.362 -15.782 1.00 0.00 C ATOM 459 CG LEU A 48 4.304 -5.800 -16.626 1.00 0.00 C ATOM 460 CD1 LEU A 48 5.374 -6.461 -15.755 1.00 0.00 C ATOM 461 CD2 LEU A 48 3.863 -6.705 -17.778 1.00 0.00 C ATOM 0 H LEU A 48 2.632 -4.287 -13.611 1.00 0.00 H new ATOM 0 HA LEU A 48 3.822 -3.394 -15.990 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.215 -5.786 -14.784 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.204 -5.796 -16.215 1.00 0.00 H new ATOM 0 HG LEU A 48 4.753 -4.911 -17.069 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.215 -6.763 -16.379 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.717 -5.753 -15.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.953 -7.338 -15.264 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.734 -7.002 -18.362 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.375 -7.593 -17.377 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.164 -6.166 -18.418 1.00 0.00 H new ATOM 473 N MET A 49 0.562 -3.355 -15.984 1.00 0.00 N ATOM 474 CA MET A 49 -0.601 -2.869 -16.707 1.00 0.00 C ATOM 475 C MET A 49 -0.322 -1.505 -17.341 1.00 0.00 C ATOM 476 O MET A 49 -0.757 -1.236 -18.459 1.00 0.00 O ATOM 477 CB MET A 49 -1.786 -2.753 -15.746 1.00 0.00 C ATOM 478 CG MET A 49 -3.010 -2.166 -16.453 1.00 0.00 C ATOM 479 SD MET A 49 -3.687 -0.826 -15.489 1.00 0.00 S ATOM 480 CE MET A 49 -3.102 0.567 -16.440 1.00 0.00 C ATOM 0 H MET A 49 0.363 -3.724 -15.054 1.00 0.00 H new ATOM 0 HA MET A 49 -0.834 -3.577 -17.502 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.030 -3.736 -15.344 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.513 -2.122 -14.900 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.731 -1.807 -17.444 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.764 -2.940 -16.595 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.453 1.492 -15.983 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.012 0.562 -16.459 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.483 0.498 -17.459 1.00 0.00 H new ATOM 490 N GLU A 50 0.401 -0.679 -16.598 1.00 0.00 N ATOM 491 CA GLU A 50 0.742 0.651 -17.073 1.00 0.00 C ATOM 492 C GLU A 50 2.179 0.673 -17.600 1.00 0.00 C ATOM 493 O GLU A 50 2.453 1.267 -18.642 1.00 0.00 O ATOM 494 CB GLU A 50 0.546 1.694 -15.972 1.00 0.00 C ATOM 495 CG GLU A 50 0.197 3.060 -16.567 1.00 0.00 C ATOM 496 CD GLU A 50 1.087 4.157 -15.979 1.00 0.00 C ATOM 497 OE1 GLU A 50 0.802 4.669 -14.887 1.00 0.00 O ATOM 498 OE2 GLU A 50 2.109 4.474 -16.700 1.00 0.00 O ATOM 0 H GLU A 50 0.760 -0.906 -15.670 1.00 0.00 H new ATOM 0 HA GLU A 50 0.070 0.906 -17.893 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.249 1.373 -15.299 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.455 1.774 -15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.317 3.031 -17.650 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.850 3.291 -16.369 1.00 0.00 H new ATOM 506 N ALA A 51 3.058 0.019 -16.855 1.00 0.00 N ATOM 507 CA ALA A 51 4.460 -0.043 -17.234 1.00 0.00 C ATOM 508 C ALA A 51 4.579 -0.649 -18.634 1.00 0.00 C ATOM 509 O ALA A 51 4.990 0.029 -19.574 1.00 0.00 O ATOM 510 CB ALA A 51 5.237 -0.841 -16.185 1.00 0.00 C ATOM 0 H ALA A 51 2.827 -0.472 -15.991 1.00 0.00 H new ATOM 0 HA ALA A 51 4.893 0.957 -17.270 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.288 -0.888 -16.469 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.144 -0.353 -15.215 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.833 -1.851 -16.123 1.00 0.00 H new ATOM 516 N PHE A 52 4.212 -1.918 -18.728 1.00 0.00 N ATOM 517 CA PHE A 52 4.273 -2.623 -19.997 1.00 0.00 C ATOM 518 C PHE A 52 3.488 -1.876 -21.077 1.00 0.00 C ATOM 519 O PHE A 52 3.819 -1.957 -22.259 1.00 0.00 O ATOM 520 CB PHE A 52 3.635 -3.996 -19.777 1.00 0.00 C ATOM 521 CG PHE A 52 2.371 -4.235 -20.607 1.00 0.00 C ATOM 522 CD1 PHE A 52 2.443 -4.254 -21.965 1.00 0.00 C ATOM 523 CD2 PHE A 52 1.177 -4.428 -19.986 1.00 0.00 C ATOM 524 CE1 PHE A 52 1.271 -4.476 -22.735 1.00 0.00 C ATOM 525 CE2 PHE A 52 0.004 -4.650 -20.756 1.00 0.00 C ATOM 526 CZ PHE A 52 0.076 -4.669 -22.114 1.00 0.00 C ATOM 0 H PHE A 52 3.871 -2.477 -17.946 1.00 0.00 H new ATOM 0 HA PHE A 52 5.308 -2.704 -20.328 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.366 -4.768 -20.017 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.390 -4.106 -18.721 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.392 -4.100 -22.458 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.120 -4.413 -18.908 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.328 -4.492 -23.813 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.945 -4.804 -20.263 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.816 -4.837 -22.700 1.00 0.00 H new ATOM 536 N ALA A 53 2.462 -1.165 -20.632 1.00 0.00 N ATOM 537 CA ALA A 53 1.627 -0.403 -21.546 1.00 0.00 C ATOM 538 C ALA A 53 2.220 0.995 -21.727 1.00 0.00 C ATOM 539 O ALA A 53 1.681 1.810 -22.474 1.00 0.00 O ATOM 540 CB ALA A 53 0.193 -0.364 -21.015 1.00 0.00 C ATOM 0 H ALA A 53 2.190 -1.100 -19.651 1.00 0.00 H new ATOM 0 HA ALA A 53 1.599 -0.878 -22.527 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.433 0.207 -21.700 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.192 -1.380 -20.933 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.181 0.109 -20.033 1.00 0.00 H new ATOM 546 N LYS A 54 3.323 1.230 -21.032 1.00 0.00 N ATOM 547 CA LYS A 54 3.995 2.516 -21.107 1.00 0.00 C ATOM 548 C LYS A 54 5.160 2.421 -22.094 1.00 0.00 C ATOM 549 O LYS A 54 5.587 3.429 -22.655 1.00 0.00 O ATOM 550 CB LYS A 54 4.410 2.986 -19.711 1.00 0.00 C ATOM 551 CG LYS A 54 5.202 4.293 -19.785 1.00 0.00 C ATOM 552 CD LYS A 54 6.687 4.050 -19.507 1.00 0.00 C ATOM 553 CE LYS A 54 7.329 5.273 -18.849 1.00 0.00 C ATOM 554 NZ LYS A 54 8.605 5.612 -19.518 1.00 0.00 N ATOM 0 H LYS A 54 3.768 0.551 -20.414 1.00 0.00 H new ATOM 0 HA LYS A 54 3.315 3.279 -21.487 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.524 3.128 -19.093 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.014 2.217 -19.229 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.081 4.740 -20.772 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.805 5.005 -19.062 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.802 3.181 -18.859 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.203 3.822 -20.440 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.647 6.122 -18.902 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.507 5.073 -17.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.027 6.444 -19.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.260 4.807 -19.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.426 5.823 -20.520 1.00 0.00 H new ATOM 567 N ARG A 55 5.641 1.200 -22.277 1.00 0.00 N ATOM 568 CA ARG A 55 6.748 0.960 -23.188 1.00 0.00 C ATOM 569 C ARG A 55 6.231 0.409 -24.518 1.00 0.00 C ATOM 570 O ARG A 55 6.613 0.889 -25.584 1.00 0.00 O ATOM 571 CB ARG A 55 7.749 -0.029 -22.589 1.00 0.00 C ATOM 572 CG ARG A 55 9.187 0.445 -22.812 1.00 0.00 C ATOM 573 CD ARG A 55 9.609 0.250 -24.270 1.00 0.00 C ATOM 574 NE ARG A 55 9.259 1.451 -25.062 1.00 0.00 N ATOM 575 CZ ARG A 55 9.607 1.633 -26.353 1.00 0.00 C ATOM 576 NH1 ARG A 55 10.319 0.693 -27.010 1.00 0.00 N ATOM 577 NH2 ARG A 55 9.241 2.744 -26.964 1.00 0.00 N ATOM 0 H ARG A 55 5.285 0.366 -21.810 1.00 0.00 H new ATOM 0 HA ARG A 55 7.251 1.912 -23.356 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.561 -0.141 -21.521 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.611 -1.011 -23.042 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.273 1.498 -22.543 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.861 -0.107 -22.158 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.682 0.067 -24.326 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.114 -0.628 -24.686 1.00 0.00 H new ATOM 0 HE ARG A 55 8.721 2.187 -24.603 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.598 -0.163 -26.531 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.578 0.839 -27.986 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.703 3.450 -26.461 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.496 2.897 -27.940 1.00 0.00 H new ATOM 590 N GLN A 56 5.368 -0.592 -24.412 1.00 0.00 N ATOM 591 CA GLN A 56 4.795 -1.214 -25.594 1.00 0.00 C ATOM 592 C GLN A 56 3.406 -0.638 -25.875 1.00 0.00 C ATOM 593 O GLN A 56 3.043 -0.418 -27.030 1.00 0.00 O ATOM 594 CB GLN A 56 4.737 -2.735 -25.440 1.00 0.00 C ATOM 595 CG GLN A 56 4.578 -3.418 -26.799 1.00 0.00 C ATOM 596 CD GLN A 56 5.891 -3.387 -27.585 1.00 0.00 C ATOM 597 OE1 GLN A 56 6.666 -2.448 -27.512 1.00 0.00 O ATOM 598 NE2 GLN A 56 6.095 -4.463 -28.339 1.00 0.00 N ATOM 0 H GLN A 56 5.052 -0.987 -23.526 1.00 0.00 H new ATOM 0 HA GLN A 56 5.438 -0.993 -26.446 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.646 -3.090 -24.955 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.903 -3.007 -24.793 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.260 -4.451 -26.656 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.796 -2.920 -27.371 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.405 -5.214 -28.354 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.942 -4.538 -28.903 1.00 0.00 H new ATOM 607 N GLY A 57 2.666 -0.410 -24.800 1.00 0.00 N ATOM 608 CA GLY A 57 1.324 0.136 -24.917 1.00 0.00 C ATOM 609 C GLY A 57 1.325 1.419 -25.750 1.00 0.00 C ATOM 610 O GLY A 57 0.285 1.833 -26.260 1.00 0.00 O ATOM 0 H GLY A 57 2.970 -0.593 -23.844 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.667 -0.601 -25.378 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.924 0.343 -23.924 1.00 0.00 H new ATOM 614 N LYS A 58 2.504 2.013 -25.862 1.00 0.00 N ATOM 615 CA LYS A 58 2.654 3.241 -26.624 1.00 0.00 C ATOM 616 C LYS A 58 2.230 2.992 -28.073 1.00 0.00 C ATOM 617 O LYS A 58 1.682 3.880 -28.725 1.00 0.00 O ATOM 618 CB LYS A 58 4.076 3.787 -26.486 1.00 0.00 C ATOM 619 CG LYS A 58 4.137 4.897 -25.433 1.00 0.00 C ATOM 620 CD LYS A 58 5.442 5.688 -25.546 1.00 0.00 C ATOM 621 CE LYS A 58 5.565 6.706 -24.411 1.00 0.00 C ATOM 622 NZ LYS A 58 5.470 8.085 -24.939 1.00 0.00 N ATOM 0 H LYS A 58 3.364 1.667 -25.438 1.00 0.00 H new ATOM 0 HA LYS A 58 1.999 4.017 -26.228 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.754 2.980 -26.209 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.416 4.173 -27.447 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.288 5.569 -25.558 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.056 4.463 -24.436 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.290 5.004 -25.519 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.478 6.202 -26.506 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.778 6.537 -23.676 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.516 6.572 -23.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.555 8.763 -24.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.236 8.248 -25.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.552 8.214 -25.410 1.00 0.00 H new ATOM 635 N GLU A 59 2.499 1.779 -28.535 1.00 0.00 N ATOM 636 CA GLU A 59 2.152 1.402 -29.895 1.00 0.00 C ATOM 637 C GLU A 59 0.795 0.697 -29.920 1.00 0.00 C ATOM 638 O GLU A 59 0.230 0.467 -30.988 1.00 0.00 O ATOM 639 CB GLU A 59 3.239 0.522 -30.514 1.00 0.00 C ATOM 640 CG GLU A 59 4.519 1.323 -30.761 1.00 0.00 C ATOM 641 CD GLU A 59 4.232 2.570 -31.601 1.00 0.00 C ATOM 642 OE1 GLU A 59 4.166 3.682 -31.057 1.00 0.00 O ATOM 643 OE2 GLU A 59 4.077 2.353 -32.863 1.00 0.00 O ATOM 0 H GLU A 59 2.953 1.045 -27.992 1.00 0.00 H new ATOM 0 HA GLU A 59 2.079 2.309 -30.496 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.453 -0.317 -29.852 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.881 0.103 -31.454 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.959 1.616 -29.808 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.251 0.697 -31.271 1.00 0.00 H new ATOM 651 N MET A 60 0.310 0.372 -28.730 1.00 0.00 N ATOM 652 CA MET A 60 -0.970 -0.303 -28.602 1.00 0.00 C ATOM 653 C MET A 60 -1.096 -1.437 -29.621 1.00 0.00 C ATOM 654 O MET A 60 -2.199 -1.770 -30.051 1.00 0.00 O ATOM 655 CB MET A 60 -2.102 0.704 -28.816 1.00 0.00 C ATOM 656 CG MET A 60 -3.398 0.219 -28.163 1.00 0.00 C ATOM 657 SD MET A 60 -3.819 1.274 -26.786 1.00 0.00 S ATOM 658 CE MET A 60 -3.070 0.356 -25.451 1.00 0.00 C ATOM 0 H MET A 60 0.781 0.564 -27.846 1.00 0.00 H new ATOM 0 HA MET A 60 -1.036 -0.730 -27.601 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.819 1.670 -28.397 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.263 0.855 -29.884 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.206 0.221 -28.894 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.280 -0.809 -27.821 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.240 0.879 -24.510 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.514 -0.638 -25.399 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.998 0.266 -25.628 1.00 0.00 H new ATOM 668 N ASP A 61 0.049 -2.000 -29.977 1.00 0.00 N ATOM 669 CA ASP A 61 0.081 -3.090 -30.937 1.00 0.00 C ATOM 670 C ASP A 61 0.204 -4.419 -30.189 1.00 0.00 C ATOM 671 O ASP A 61 0.057 -5.486 -30.784 1.00 0.00 O ATOM 672 CB ASP A 61 1.283 -2.963 -31.876 1.00 0.00 C ATOM 673 CG ASP A 61 0.991 -2.273 -33.210 1.00 0.00 C ATOM 674 OD1 ASP A 61 0.370 -2.859 -34.109 1.00 0.00 O ATOM 675 OD2 ASP A 61 1.436 -1.067 -33.309 1.00 0.00 O ATOM 0 H ASP A 61 0.962 -1.722 -29.618 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.838 -3.051 -31.521 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.069 -2.410 -31.362 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.674 -3.960 -32.078 1.00 0.00 H new ATOM 681 N SER A 62 0.472 -4.311 -28.896 1.00 0.00 N ATOM 682 CA SER A 62 0.616 -5.492 -28.061 1.00 0.00 C ATOM 683 C SER A 62 -0.355 -5.420 -26.882 1.00 0.00 C ATOM 684 O SER A 62 -0.382 -4.429 -26.154 1.00 0.00 O ATOM 685 CB SER A 62 2.053 -5.637 -27.557 1.00 0.00 C ATOM 686 OG SER A 62 2.103 -5.948 -26.167 1.00 0.00 O ATOM 0 H SER A 62 0.593 -3.425 -28.406 1.00 0.00 H new ATOM 0 HA SER A 62 0.381 -6.369 -28.664 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.558 -6.420 -28.122 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.597 -4.710 -27.741 1.00 0.00 H new ATOM 0 HG SER A 62 2.348 -6.890 -26.051 1.00 0.00 H new ATOM 692 N LEU A 63 -1.131 -6.484 -26.729 1.00 0.00 N ATOM 693 CA LEU A 63 -2.101 -6.554 -25.650 1.00 0.00 C ATOM 694 C LEU A 63 -2.085 -7.959 -25.046 1.00 0.00 C ATOM 695 O LEU A 63 -3.010 -8.342 -24.330 1.00 0.00 O ATOM 696 CB LEU A 63 -3.481 -6.111 -26.142 1.00 0.00 C ATOM 697 CG LEU A 63 -3.632 -5.944 -27.655 1.00 0.00 C ATOM 698 CD1 LEU A 63 -5.058 -6.270 -28.103 1.00 0.00 C ATOM 699 CD2 LEU A 63 -3.199 -4.545 -28.097 1.00 0.00 C ATOM 0 H LEU A 63 -1.107 -7.304 -27.335 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.835 -5.861 -24.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.217 -6.839 -25.802 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.727 -5.162 -25.665 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.969 -6.657 -28.145 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.138 -6.143 -29.183 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.295 -7.301 -27.840 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.758 -5.598 -27.606 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.316 -4.452 -29.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.818 -3.798 -27.599 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.154 -4.386 -27.830 1.00 0.00 H new ATOM 711 N ARG A 64 -1.025 -8.691 -25.357 1.00 0.00 N ATOM 712 CA ARG A 64 -0.877 -10.046 -24.854 1.00 0.00 C ATOM 713 C ARG A 64 -0.166 -10.034 -23.499 1.00 0.00 C ATOM 714 O ARG A 64 1.062 -9.998 -23.439 1.00 0.00 O ATOM 715 CB ARG A 64 -0.081 -10.912 -25.832 1.00 0.00 C ATOM 716 CG ARG A 64 -0.558 -12.365 -25.790 1.00 0.00 C ATOM 717 CD ARG A 64 -0.197 -13.099 -27.083 1.00 0.00 C ATOM 718 NE ARG A 64 -0.326 -14.560 -26.889 1.00 0.00 N ATOM 719 CZ ARG A 64 0.022 -15.480 -27.814 1.00 0.00 C ATOM 720 NH1 ARG A 64 0.525 -15.096 -29.007 1.00 0.00 N ATOM 721 NH2 ARG A 64 -0.136 -16.760 -27.535 1.00 0.00 N ATOM 0 H ARG A 64 -0.260 -8.371 -25.951 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.875 -10.469 -24.741 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.189 -10.519 -26.843 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.979 -10.866 -25.584 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.106 -12.875 -24.940 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.637 -12.393 -25.641 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.851 -12.772 -27.891 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.823 -12.852 -27.379 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.701 -14.893 -26.001 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.645 -14.105 -29.215 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.785 -15.797 -29.700 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.516 -17.042 -26.631 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.122 -17.468 -28.223 1.00 0.00 H new ATOM 734 N PHE A 65 -0.969 -10.065 -22.445 1.00 0.00 N ATOM 735 CA PHE A 65 -0.432 -10.058 -21.095 1.00 0.00 C ATOM 736 C PHE A 65 -0.373 -11.475 -20.521 1.00 0.00 C ATOM 737 O PHE A 65 -1.408 -12.087 -20.261 1.00 0.00 O ATOM 738 CB PHE A 65 -1.380 -9.214 -20.241 1.00 0.00 C ATOM 739 CG PHE A 65 -2.740 -9.867 -19.990 1.00 0.00 C ATOM 740 CD1 PHE A 65 -3.747 -9.707 -20.890 1.00 0.00 C ATOM 741 CD2 PHE A 65 -2.942 -10.607 -18.868 1.00 0.00 C ATOM 742 CE1 PHE A 65 -5.010 -10.314 -20.658 1.00 0.00 C ATOM 743 CE2 PHE A 65 -4.205 -11.214 -18.635 1.00 0.00 C ATOM 744 CZ PHE A 65 -5.212 -11.054 -19.535 1.00 0.00 C ATOM 0 H PHE A 65 -1.987 -10.095 -22.499 1.00 0.00 H new ATOM 0 HA PHE A 65 0.580 -9.654 -21.100 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.904 -9.010 -19.282 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.535 -8.253 -20.731 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.586 -9.118 -21.781 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.142 -10.734 -18.153 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.810 -10.188 -21.373 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.365 -11.802 -17.744 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.173 -11.515 -19.358 1.00 0.00 H new ATOM 754 N LEU A 66 0.848 -11.956 -20.341 1.00 0.00 N ATOM 755 CA LEU A 66 1.056 -13.290 -19.803 1.00 0.00 C ATOM 756 C LEU A 66 2.480 -13.398 -19.256 1.00 0.00 C ATOM 757 O LEU A 66 3.344 -12.592 -19.599 1.00 0.00 O ATOM 758 CB LEU A 66 0.718 -14.350 -20.853 1.00 0.00 C ATOM 759 CG LEU A 66 1.812 -14.650 -21.880 1.00 0.00 C ATOM 760 CD1 LEU A 66 2.982 -15.393 -21.232 1.00 0.00 C ATOM 761 CD2 LEU A 66 1.244 -15.409 -23.080 1.00 0.00 C ATOM 0 H LEU A 66 1.704 -11.446 -20.558 1.00 0.00 H new ATOM 0 HA LEU A 66 0.379 -13.474 -18.969 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.468 -15.277 -20.337 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.177 -14.031 -21.388 1.00 0.00 H new ATOM 0 HG LEU A 66 2.200 -13.702 -22.254 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.746 -15.594 -21.983 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.407 -14.780 -20.437 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.628 -16.335 -20.813 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.042 -15.610 -23.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.813 -16.352 -22.743 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.471 -14.807 -23.559 1.00 0.00 H new ATOM 773 N TYR A 67 2.682 -14.401 -18.414 1.00 0.00 N ATOM 774 CA TYR A 67 3.987 -14.626 -17.816 1.00 0.00 C ATOM 775 C TYR A 67 4.700 -15.805 -18.482 1.00 0.00 C ATOM 776 O TYR A 67 5.895 -15.735 -18.762 1.00 0.00 O ATOM 777 CB TYR A 67 3.725 -14.967 -16.348 1.00 0.00 C ATOM 778 CG TYR A 67 4.965 -15.446 -15.590 1.00 0.00 C ATOM 779 CD1 TYR A 67 5.518 -16.677 -15.880 1.00 0.00 C ATOM 780 CD2 TYR A 67 5.530 -14.648 -14.616 1.00 0.00 C ATOM 781 CE1 TYR A 67 6.684 -17.129 -15.167 1.00 0.00 C ATOM 782 CE2 TYR A 67 6.697 -15.100 -13.903 1.00 0.00 C ATOM 783 CZ TYR A 67 7.216 -16.318 -14.213 1.00 0.00 C ATOM 784 OH TYR A 67 8.318 -16.744 -13.539 1.00 0.00 O ATOM 0 H TYR A 67 1.963 -15.067 -18.132 1.00 0.00 H new ATOM 0 HA TYR A 67 4.620 -13.747 -17.934 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.323 -14.086 -15.847 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.959 -15.740 -16.296 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.076 -17.301 -16.642 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.097 -13.685 -14.389 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.126 -18.090 -15.384 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.150 -14.485 -13.139 1.00 0.00 H new ATOM 0 HH TYR A 67 8.588 -16.062 -12.889 1.00 0.00 H new ATOM 794 N ASP A 68 3.935 -16.861 -18.716 1.00 0.00 N ATOM 795 CA ASP A 68 4.478 -18.054 -19.344 1.00 0.00 C ATOM 796 C ASP A 68 3.796 -18.270 -20.696 1.00 0.00 C ATOM 797 O ASP A 68 4.389 -18.013 -21.743 1.00 0.00 O ATOM 798 CB ASP A 68 4.224 -19.293 -18.483 1.00 0.00 C ATOM 799 CG ASP A 68 5.430 -19.778 -17.676 1.00 0.00 C ATOM 800 OD1 ASP A 68 6.512 -19.174 -17.719 1.00 0.00 O ATOM 801 OD2 ASP A 68 5.223 -20.838 -16.970 1.00 0.00 O ATOM 0 H ASP A 68 2.944 -16.916 -18.482 1.00 0.00 H new ATOM 0 HA ASP A 68 5.552 -17.912 -19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.408 -19.077 -17.794 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.889 -20.104 -19.130 1.00 0.00 H new ATOM 807 N GLY A 69 2.558 -18.739 -20.630 1.00 0.00 N ATOM 808 CA GLY A 69 1.789 -18.992 -21.837 1.00 0.00 C ATOM 809 C GLY A 69 0.351 -19.388 -21.497 1.00 0.00 C ATOM 810 O GLY A 69 -0.174 -20.359 -22.040 1.00 0.00 O ATOM 0 H GLY A 69 2.069 -18.950 -19.760 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.786 -18.101 -22.464 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.262 -19.786 -22.414 1.00 0.00 H new ATOM 814 N ILE A 70 -0.246 -18.617 -20.599 1.00 0.00 N ATOM 815 CA ILE A 70 -1.613 -18.876 -20.181 1.00 0.00 C ATOM 816 C ILE A 70 -2.197 -17.610 -19.551 1.00 0.00 C ATOM 817 O ILE A 70 -3.048 -17.688 -18.667 1.00 0.00 O ATOM 818 CB ILE A 70 -1.670 -20.100 -19.265 1.00 0.00 C ATOM 819 CG1 ILE A 70 -0.326 -20.327 -18.568 1.00 0.00 C ATOM 820 CG2 ILE A 70 -2.133 -21.339 -20.034 1.00 0.00 C ATOM 821 CD1 ILE A 70 -0.519 -20.562 -17.069 1.00 0.00 C ATOM 0 H ILE A 70 0.192 -17.813 -20.150 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.235 -19.121 -21.042 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.408 -19.910 -18.486 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.178 -21.185 -19.012 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.319 -19.463 -18.724 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.165 -22.195 -19.360 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.128 -21.162 -20.443 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.437 -21.544 -20.847 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.451 -20.721 -16.598 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.001 -19.692 -16.623 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.145 -21.441 -16.916 1.00 0.00 H new ATOM 833 N ARG A 71 -1.717 -16.473 -20.033 1.00 0.00 N ATOM 834 CA ARG A 71 -2.181 -15.191 -19.528 1.00 0.00 C ATOM 835 C ARG A 71 -2.022 -15.130 -18.008 1.00 0.00 C ATOM 836 O ARG A 71 -2.950 -14.749 -17.297 1.00 0.00 O ATOM 837 CB ARG A 71 -3.649 -14.956 -19.890 1.00 0.00 C ATOM 838 CG ARG A 71 -3.780 -14.354 -21.290 1.00 0.00 C ATOM 839 CD ARG A 71 -5.174 -13.763 -21.505 1.00 0.00 C ATOM 840 NE ARG A 71 -5.886 -14.518 -22.561 1.00 0.00 N ATOM 841 CZ ARG A 71 -6.569 -15.662 -22.343 1.00 0.00 C ATOM 842 NH1 ARG A 71 -6.637 -16.195 -21.105 1.00 0.00 N ATOM 843 NH2 ARG A 71 -7.168 -16.253 -23.360 1.00 0.00 N ATOM 0 H ARG A 71 -1.012 -16.412 -20.767 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.575 -14.413 -19.991 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.194 -15.899 -19.844 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.105 -14.288 -19.159 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.027 -13.578 -21.428 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.587 -15.122 -22.039 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.741 -13.800 -20.575 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.094 -12.713 -21.788 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.859 -14.151 -23.512 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.170 -15.733 -20.325 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.155 -17.060 -20.950 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.111 -15.845 -24.293 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.688 -17.118 -23.213 1.00 0.00 H new ATOM 856 N ILE A 72 -0.837 -15.511 -17.553 1.00 0.00 N ATOM 857 CA ILE A 72 -0.543 -15.504 -16.130 1.00 0.00 C ATOM 858 C ILE A 72 0.417 -14.355 -15.818 1.00 0.00 C ATOM 859 O ILE A 72 0.968 -13.736 -16.727 1.00 0.00 O ATOM 860 CB ILE A 72 -0.030 -16.874 -15.682 1.00 0.00 C ATOM 861 CG1 ILE A 72 0.987 -17.431 -16.680 1.00 0.00 C ATOM 862 CG2 ILE A 72 -1.190 -17.843 -15.444 1.00 0.00 C ATOM 863 CD1 ILE A 72 2.077 -18.231 -15.963 1.00 0.00 C ATOM 0 H ILE A 72 -0.069 -15.827 -18.145 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.451 -15.326 -15.554 1.00 0.00 H new ATOM 0 HB ILE A 72 0.487 -16.751 -14.730 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.480 -18.069 -17.404 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.440 -16.612 -17.239 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.798 -18.809 -15.127 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.844 -17.444 -14.668 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.756 -17.967 -16.367 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.787 -18.616 -16.695 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.598 -17.584 -15.257 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.623 -19.063 -15.425 1.00 0.00 H new ATOM 875 N GLN A 73 0.590 -14.104 -14.528 1.00 0.00 N ATOM 876 CA GLN A 73 1.474 -13.041 -14.084 1.00 0.00 C ATOM 877 C GLN A 73 2.355 -13.529 -12.932 1.00 0.00 C ATOM 878 O GLN A 73 2.246 -14.678 -12.507 1.00 0.00 O ATOM 879 CB GLN A 73 0.678 -11.799 -13.678 1.00 0.00 C ATOM 880 CG GLN A 73 0.036 -11.136 -14.898 1.00 0.00 C ATOM 881 CD GLN A 73 -1.388 -11.650 -15.116 1.00 0.00 C ATOM 882 OE1 GLN A 73 -1.627 -12.832 -15.301 1.00 0.00 O ATOM 883 NE2 GLN A 73 -2.318 -10.699 -15.084 1.00 0.00 N ATOM 0 H GLN A 73 0.132 -14.619 -13.776 1.00 0.00 H new ATOM 0 HA GLN A 73 2.120 -12.762 -14.916 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.095 -12.076 -12.962 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.336 -11.088 -13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.019 -10.055 -14.762 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.638 -11.336 -15.784 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.049 -9.728 -14.924 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.300 -10.941 -15.219 1.00 0.00 H new ATOM 892 N ALA A 74 3.208 -12.631 -12.460 1.00 0.00 N ATOM 893 CA ALA A 74 4.107 -12.956 -11.366 1.00 0.00 C ATOM 894 C ALA A 74 3.359 -12.813 -10.038 1.00 0.00 C ATOM 895 O ALA A 74 2.751 -13.768 -9.558 1.00 0.00 O ATOM 896 CB ALA A 74 5.344 -12.059 -11.438 1.00 0.00 C ATOM 0 H ALA A 74 3.295 -11.679 -12.815 1.00 0.00 H new ATOM 0 HA ALA A 74 4.448 -13.988 -11.443 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.018 -12.303 -10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.855 -12.219 -12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.041 -11.015 -11.361 1.00 0.00 H new ATOM 902 N ASP A 75 3.430 -11.612 -9.483 1.00 0.00 N ATOM 903 CA ASP A 75 2.768 -11.332 -8.220 1.00 0.00 C ATOM 904 C ASP A 75 1.495 -10.524 -8.485 1.00 0.00 C ATOM 905 O ASP A 75 1.239 -9.526 -7.814 1.00 0.00 O ATOM 906 CB ASP A 75 3.667 -10.507 -7.297 1.00 0.00 C ATOM 907 CG ASP A 75 5.156 -10.852 -7.369 1.00 0.00 C ATOM 908 OD1 ASP A 75 5.858 -10.460 -8.313 1.00 0.00 O ATOM 909 OD2 ASP A 75 5.598 -11.565 -6.388 1.00 0.00 O ATOM 0 H ASP A 75 3.935 -10.822 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 75 2.538 -12.284 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.542 -9.452 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.328 -10.640 -6.270 1.00 0.00 H new ATOM 915 N GLN A 76 0.732 -10.987 -9.464 1.00 0.00 N ATOM 916 CA GLN A 76 -0.508 -10.321 -9.825 1.00 0.00 C ATOM 917 C GLN A 76 -1.492 -10.359 -8.655 1.00 0.00 C ATOM 918 O GLN A 76 -2.518 -9.680 -8.679 1.00 0.00 O ATOM 919 CB GLN A 76 -1.122 -10.947 -11.079 1.00 0.00 C ATOM 920 CG GLN A 76 -2.646 -10.809 -11.071 1.00 0.00 C ATOM 921 CD GLN A 76 -3.284 -11.832 -10.130 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.774 -12.919 -9.914 1.00 0.00 O ATOM 923 NE2 GLN A 76 -4.427 -11.426 -9.584 1.00 0.00 N ATOM 0 H GLN A 76 0.948 -11.815 -10.018 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.284 -9.279 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.714 -10.465 -11.967 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.849 -12.001 -11.135 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.922 -9.802 -10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.033 -10.948 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.799 -10.503 -9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.931 -12.038 -8.942 1.00 0.00 H new ATOM 932 N THR A 77 -1.145 -11.158 -7.657 1.00 0.00 N ATOM 933 CA THR A 77 -1.985 -11.293 -6.479 1.00 0.00 C ATOM 934 C THR A 77 -1.892 -10.037 -5.611 1.00 0.00 C ATOM 935 O THR A 77 -0.821 -9.447 -5.477 1.00 0.00 O ATOM 936 CB THR A 77 -1.569 -12.570 -5.746 1.00 0.00 C ATOM 937 OG1 THR A 77 -1.249 -13.483 -6.792 1.00 0.00 O ATOM 938 CG2 THR A 77 -2.739 -13.234 -5.017 1.00 0.00 C ATOM 0 H THR A 77 -0.293 -11.719 -7.640 1.00 0.00 H new ATOM 0 HA THR A 77 -3.036 -11.385 -6.751 1.00 0.00 H new ATOM 0 HB THR A 77 -0.780 -12.337 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.967 -14.338 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.390 -14.135 -4.514 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.148 -12.543 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.514 -13.498 -5.737 1.00 0.00 H new ATOM 946 N PRO A 78 -3.060 -9.654 -5.028 1.00 0.00 N ATOM 947 CA PRO A 78 -3.121 -8.478 -4.177 1.00 0.00 C ATOM 948 C PRO A 78 -2.491 -8.757 -2.811 1.00 0.00 C ATOM 949 O PRO A 78 -2.225 -7.831 -2.046 1.00 0.00 O ATOM 950 CB PRO A 78 -4.598 -8.131 -4.090 1.00 0.00 C ATOM 951 CG PRO A 78 -5.346 -9.387 -4.509 1.00 0.00 C ATOM 952 CD PRO A 78 -4.348 -10.327 -5.164 1.00 0.00 C ATOM 0 HA PRO A 78 -2.552 -7.639 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.870 -7.834 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.842 -7.294 -4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.808 -9.863 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.149 -9.139 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.340 -11.300 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.596 -10.500 -6.211 1.00 0.00 H new ATOM 960 N GLU A 79 -2.270 -10.036 -2.547 1.00 0.00 N ATOM 961 CA GLU A 79 -1.676 -10.448 -1.286 1.00 0.00 C ATOM 962 C GLU A 79 -0.193 -10.768 -1.478 1.00 0.00 C ATOM 963 O GLU A 79 0.606 -10.603 -0.557 1.00 0.00 O ATOM 964 CB GLU A 79 -2.423 -11.645 -0.694 1.00 0.00 C ATOM 965 CG GLU A 79 -3.446 -11.192 0.349 1.00 0.00 C ATOM 966 CD GLU A 79 -4.456 -10.217 -0.261 1.00 0.00 C ATOM 967 OE1 GLU A 79 -5.029 -10.502 -1.323 1.00 0.00 O ATOM 968 OE2 GLU A 79 -4.638 -9.131 0.410 1.00 0.00 O ATOM 0 H GLU A 79 -2.491 -10.801 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.761 -9.623 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.928 -12.193 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.711 -12.332 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.970 -12.059 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.933 -10.715 1.184 1.00 0.00 H new ATOM 976 N ASP A 80 0.132 -11.220 -2.681 1.00 0.00 N ATOM 977 CA ASP A 80 1.506 -11.564 -3.005 1.00 0.00 C ATOM 978 C ASP A 80 2.319 -10.281 -3.189 1.00 0.00 C ATOM 979 O ASP A 80 3.547 -10.307 -3.133 1.00 0.00 O ATOM 980 CB ASP A 80 1.581 -12.362 -4.309 1.00 0.00 C ATOM 981 CG ASP A 80 2.962 -12.929 -4.641 1.00 0.00 C ATOM 982 OD1 ASP A 80 3.995 -12.309 -4.346 1.00 0.00 O ATOM 983 OD2 ASP A 80 2.953 -14.073 -5.237 1.00 0.00 O ATOM 0 H ASP A 80 -0.533 -11.356 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 80 1.904 -12.167 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.870 -13.186 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.262 -11.719 -5.130 1.00 0.00 H new ATOM 989 N LEU A 81 1.600 -9.189 -3.405 1.00 0.00 N ATOM 990 CA LEU A 81 2.239 -7.899 -3.598 1.00 0.00 C ATOM 991 C LEU A 81 2.784 -7.399 -2.258 1.00 0.00 C ATOM 992 O LEU A 81 3.913 -6.916 -2.184 1.00 0.00 O ATOM 993 CB LEU A 81 1.277 -6.920 -4.274 1.00 0.00 C ATOM 994 CG LEU A 81 0.230 -6.273 -3.366 1.00 0.00 C ATOM 995 CD1 LEU A 81 0.796 -5.030 -2.676 1.00 0.00 C ATOM 996 CD2 LEU A 81 -1.052 -5.964 -4.141 1.00 0.00 C ATOM 0 H LEU A 81 0.581 -9.171 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 81 3.089 -7.993 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.864 -6.128 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.758 -7.446 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.031 -6.986 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.031 -4.589 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.658 -5.311 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.102 -4.304 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.780 -5.505 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.827 -5.279 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.464 -6.888 -4.546 1.00 0.00 H new ATOM 1008 N ASP A 82 1.955 -7.532 -1.232 1.00 0.00 N ATOM 1009 CA ASP A 82 2.339 -7.100 0.101 1.00 0.00 C ATOM 1010 C ASP A 82 3.283 -8.135 0.716 1.00 0.00 C ATOM 1011 O ASP A 82 3.878 -7.893 1.765 1.00 0.00 O ATOM 1012 CB ASP A 82 1.117 -6.974 1.012 1.00 0.00 C ATOM 1013 CG ASP A 82 1.266 -5.972 2.159 1.00 0.00 C ATOM 1014 OD1 ASP A 82 2.021 -4.993 2.058 1.00 0.00 O ATOM 1015 OD2 ASP A 82 0.558 -6.232 3.205 1.00 0.00 O ATOM 0 H ASP A 82 1.019 -7.933 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 82 2.825 -6.128 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.259 -6.684 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.894 -7.954 1.433 1.00 0.00 H new ATOM 1021 N MET A 83 3.391 -9.268 0.036 1.00 0.00 N ATOM 1022 CA MET A 83 4.252 -10.341 0.503 1.00 0.00 C ATOM 1023 C MET A 83 5.581 -10.346 -0.254 1.00 0.00 C ATOM 1024 O MET A 83 6.572 -9.792 0.221 1.00 0.00 O ATOM 1025 CB MET A 83 3.547 -11.685 0.304 1.00 0.00 C ATOM 1026 CG MET A 83 3.029 -12.234 1.635 1.00 0.00 C ATOM 1027 SD MET A 83 1.259 -12.451 1.559 1.00 0.00 S ATOM 1028 CE MET A 83 1.128 -13.403 0.055 1.00 0.00 C ATOM 0 H MET A 83 2.897 -9.466 -0.834 1.00 0.00 H new ATOM 0 HA MET A 83 4.458 -10.181 1.561 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.717 -11.565 -0.392 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.238 -12.399 -0.144 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.511 -13.186 1.857 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.285 -11.550 2.444 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.475 -12.885 -0.648 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.117 -13.522 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.712 -14.385 0.281 1.00 0.00 H new ATOM 1038 N GLU A 84 5.561 -10.977 -1.419 1.00 0.00 N ATOM 1039 CA GLU A 84 6.752 -11.061 -2.246 1.00 0.00 C ATOM 1040 C GLU A 84 7.166 -9.667 -2.723 1.00 0.00 C ATOM 1041 O GLU A 84 6.379 -8.724 -2.655 1.00 0.00 O ATOM 1042 CB GLU A 84 6.532 -12.003 -3.431 1.00 0.00 C ATOM 1043 CG GLU A 84 7.860 -12.581 -3.926 1.00 0.00 C ATOM 1044 CD GLU A 84 7.695 -14.039 -4.361 1.00 0.00 C ATOM 1045 OE1 GLU A 84 6.651 -14.404 -4.922 1.00 0.00 O ATOM 1046 OE2 GLU A 84 8.700 -14.803 -4.098 1.00 0.00 O ATOM 0 H GLU A 84 4.738 -11.435 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 84 7.561 -11.473 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.866 -12.814 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.041 -11.465 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.230 -11.988 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.607 -12.516 -3.134 1.00 0.00 H new ATOM 1054 N ASP A 85 8.401 -9.581 -3.196 1.00 0.00 N ATOM 1055 CA ASP A 85 8.929 -8.318 -3.685 1.00 0.00 C ATOM 1056 C ASP A 85 9.752 -8.570 -4.949 1.00 0.00 C ATOM 1057 O ASP A 85 10.975 -8.686 -4.885 1.00 0.00 O ATOM 1058 CB ASP A 85 9.844 -7.665 -2.647 1.00 0.00 C ATOM 1059 CG ASP A 85 10.448 -8.627 -1.621 1.00 0.00 C ATOM 1060 OD1 ASP A 85 10.663 -9.814 -1.908 1.00 0.00 O ATOM 1061 OD2 ASP A 85 10.704 -8.105 -0.470 1.00 0.00 O ATOM 0 H ASP A 85 9.051 -10.365 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 85 8.087 -7.657 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.655 -7.157 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.278 -6.900 -2.116 1.00 0.00 H new ATOM 1067 N ASN A 86 9.049 -8.647 -6.069 1.00 0.00 N ATOM 1068 CA ASN A 86 9.699 -8.883 -7.347 1.00 0.00 C ATOM 1069 C ASN A 86 8.652 -8.849 -8.462 1.00 0.00 C ATOM 1070 O ASN A 86 8.115 -9.887 -8.846 1.00 0.00 O ATOM 1071 CB ASN A 86 10.376 -10.255 -7.376 1.00 0.00 C ATOM 1072 CG ASN A 86 11.449 -10.315 -8.465 1.00 0.00 C ATOM 1073 OD1 ASN A 86 11.734 -9.343 -9.145 1.00 0.00 O ATOM 1074 ND2 ASN A 86 12.026 -11.506 -8.591 1.00 0.00 N ATOM 0 H ASN A 86 8.035 -8.550 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 86 10.451 -8.107 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.826 -10.463 -6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.629 -11.029 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.755 -11.648 -9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.740 -12.278 -7.989 1.00 0.00 H new ATOM 1081 N ASP A 87 8.393 -7.644 -8.950 1.00 0.00 N ATOM 1082 CA ASP A 87 7.419 -7.461 -10.013 1.00 0.00 C ATOM 1083 C ASP A 87 8.082 -7.754 -11.361 1.00 0.00 C ATOM 1084 O ASP A 87 9.073 -7.121 -11.720 1.00 0.00 O ATOM 1085 CB ASP A 87 6.901 -6.022 -10.043 1.00 0.00 C ATOM 1086 CG ASP A 87 6.240 -5.546 -8.749 1.00 0.00 C ATOM 1087 OD1 ASP A 87 5.843 -6.356 -7.898 1.00 0.00 O ATOM 1088 OD2 ASP A 87 6.137 -4.265 -8.628 1.00 0.00 O ATOM 0 H ASP A 87 8.841 -6.786 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 87 6.586 -8.140 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.733 -5.357 -10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.182 -5.928 -10.857 1.00 0.00 H new ATOM 1094 N ILE A 88 7.507 -8.714 -12.071 1.00 0.00 N ATOM 1095 CA ILE A 88 8.029 -9.098 -13.371 1.00 0.00 C ATOM 1096 C ILE A 88 6.953 -9.866 -14.141 1.00 0.00 C ATOM 1097 O ILE A 88 6.417 -10.856 -13.646 1.00 0.00 O ATOM 1098 CB ILE A 88 9.342 -9.868 -13.215 1.00 0.00 C ATOM 1099 CG1 ILE A 88 9.306 -11.178 -14.005 1.00 0.00 C ATOM 1100 CG2 ILE A 88 9.670 -10.099 -11.739 1.00 0.00 C ATOM 1101 CD1 ILE A 88 8.530 -12.256 -13.245 1.00 0.00 C ATOM 0 H ILE A 88 6.685 -9.237 -11.770 1.00 0.00 H new ATOM 0 HA ILE A 88 8.273 -8.214 -13.960 1.00 0.00 H new ATOM 0 HB ILE A 88 10.145 -9.261 -13.633 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.842 -11.008 -14.977 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.323 -11.522 -14.193 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.608 -10.648 -11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.766 -9.138 -11.233 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.870 -10.675 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.520 -13.177 -13.829 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.010 -12.441 -12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.506 -11.919 -13.080 1.00 0.00 H new ATOM 1113 N ILE A 89 6.668 -9.380 -15.340 1.00 0.00 N ATOM 1114 CA ILE A 89 5.666 -10.008 -16.184 1.00 0.00 C ATOM 1115 C ILE A 89 6.054 -9.825 -17.653 1.00 0.00 C ATOM 1116 O ILE A 89 6.834 -8.934 -17.986 1.00 0.00 O ATOM 1117 CB ILE A 89 4.271 -9.478 -15.845 1.00 0.00 C ATOM 1118 CG1 ILE A 89 4.070 -9.393 -14.331 1.00 0.00 C ATOM 1119 CG2 ILE A 89 3.186 -10.317 -16.522 1.00 0.00 C ATOM 1120 CD1 ILE A 89 2.652 -8.928 -13.991 1.00 0.00 C ATOM 0 H ILE A 89 7.114 -8.558 -15.747 1.00 0.00 H new ATOM 0 HA ILE A 89 5.628 -11.081 -15.996 1.00 0.00 H new ATOM 0 HB ILE A 89 4.186 -8.465 -16.238 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.254 -10.368 -13.881 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.796 -8.702 -13.902 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.205 -9.919 -16.264 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.320 -10.281 -17.603 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.259 -11.350 -16.181 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.536 -8.876 -12.908 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.479 -7.942 -14.422 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.930 -9.634 -14.400 1.00 0.00 H new ATOM 1132 N GLU A 90 5.491 -10.682 -18.492 1.00 0.00 N ATOM 1133 CA GLU A 90 5.768 -10.626 -19.917 1.00 0.00 C ATOM 1134 C GLU A 90 4.581 -10.017 -20.665 1.00 0.00 C ATOM 1135 O GLU A 90 3.435 -10.401 -20.436 1.00 0.00 O ATOM 1136 CB GLU A 90 6.107 -12.014 -20.465 1.00 0.00 C ATOM 1137 CG GLU A 90 5.893 -12.073 -21.978 1.00 0.00 C ATOM 1138 CD GLU A 90 6.642 -13.258 -22.592 1.00 0.00 C ATOM 1139 OE1 GLU A 90 6.919 -14.245 -21.894 1.00 0.00 O ATOM 1140 OE2 GLU A 90 6.936 -13.130 -23.841 1.00 0.00 O ATOM 0 H GLU A 90 4.844 -11.419 -18.212 1.00 0.00 H new ATOM 0 HA GLU A 90 6.637 -9.987 -20.073 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.143 -12.258 -20.231 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.485 -12.764 -19.977 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.828 -12.159 -22.195 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.237 -11.145 -22.434 1.00 0.00 H new ATOM 1148 N ALA A 91 4.896 -9.076 -21.543 1.00 0.00 N ATOM 1149 CA ALA A 91 3.869 -8.409 -22.326 1.00 0.00 C ATOM 1150 C ALA A 91 4.097 -8.699 -23.810 1.00 0.00 C ATOM 1151 O ALA A 91 4.913 -8.044 -24.457 1.00 0.00 O ATOM 1152 CB ALA A 91 3.883 -6.911 -22.016 1.00 0.00 C ATOM 0 H ALA A 91 5.848 -8.760 -21.730 1.00 0.00 H new ATOM 0 HA ALA A 91 2.881 -8.787 -22.064 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.113 -6.411 -22.603 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.687 -6.757 -20.955 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.859 -6.496 -22.269 1.00 0.00 H new ATOM 1158 N HIS A 92 3.361 -9.683 -24.308 1.00 0.00 N ATOM 1159 CA HIS A 92 3.473 -10.068 -25.705 1.00 0.00 C ATOM 1160 C HIS A 92 2.472 -9.267 -26.540 1.00 0.00 C ATOM 1161 O HIS A 92 1.737 -8.437 -26.007 1.00 0.00 O ATOM 1162 CB HIS A 92 3.305 -11.580 -25.867 1.00 0.00 C ATOM 1163 CG HIS A 92 4.567 -12.298 -26.280 1.00 0.00 C ATOM 1164 ND1 HIS A 92 4.579 -13.621 -26.684 1.00 0.00 N ATOM 1165 CD2 HIS A 92 5.858 -11.863 -26.347 1.00 0.00 C ATOM 1166 CE1 HIS A 92 5.826 -13.957 -26.979 1.00 0.00 C ATOM 1167 NE2 HIS A 92 6.618 -12.867 -26.768 1.00 0.00 N ATOM 0 H HIS A 92 2.685 -10.225 -23.769 1.00 0.00 H new ATOM 0 HA HIS A 92 4.471 -9.831 -26.072 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.953 -11.999 -24.924 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.531 -11.772 -26.610 1.00 0.00 H new ATOM 0 HD2 HIS A 92 6.203 -10.870 -26.100 1.00 0.00 H new ATOM 0 HE1 HIS A 92 6.157 -14.925 -27.326 1.00 0.00 H new ATOM 0 HE2 HIS A 92 7.627 -12.829 -26.910 1.00 0.00 H new ATOM 1175 N ARG A 93 2.476 -9.544 -27.835 1.00 0.00 N ATOM 1176 CA ARG A 93 1.577 -8.859 -28.749 1.00 0.00 C ATOM 1177 C ARG A 93 0.322 -9.701 -28.990 1.00 0.00 C ATOM 1178 O ARG A 93 0.373 -10.929 -28.928 1.00 0.00 O ATOM 1179 CB ARG A 93 2.261 -8.581 -30.089 1.00 0.00 C ATOM 1180 CG ARG A 93 2.300 -9.841 -30.957 1.00 0.00 C ATOM 1181 CD ARG A 93 0.938 -10.104 -31.603 1.00 0.00 C ATOM 1182 NE ARG A 93 1.108 -10.377 -33.048 1.00 0.00 N ATOM 1183 CZ ARG A 93 0.198 -11.022 -33.809 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -0.956 -11.465 -33.268 1.00 0.00 N ATOM 1185 NH2 ARG A 93 0.454 -11.211 -35.090 1.00 0.00 N ATOM 0 H ARG A 93 3.087 -10.233 -28.274 1.00 0.00 H new ATOM 0 HA ARG A 93 1.299 -7.909 -28.292 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.729 -7.789 -30.616 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.276 -8.223 -29.916 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.059 -9.730 -31.732 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.589 -10.698 -30.348 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.454 -10.952 -31.119 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.286 -9.242 -31.461 1.00 0.00 H new ATOM 0 HE ARG A 93 1.966 -10.058 -33.497 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.146 -11.313 -32.277 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.638 -11.951 -33.850 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.328 -10.872 -35.491 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.223 -11.696 -35.679 1.00 0.00 H new ATOM 1198 N GLU A 94 -0.775 -9.008 -29.258 1.00 0.00 N ATOM 1199 CA GLU A 94 -2.040 -9.676 -29.508 1.00 0.00 C ATOM 1200 C GLU A 94 -3.001 -8.737 -30.240 1.00 0.00 C ATOM 1201 O GLU A 94 -3.894 -8.155 -29.627 1.00 0.00 O ATOM 1202 CB GLU A 94 -2.658 -10.185 -28.204 1.00 0.00 C ATOM 1203 CG GLU A 94 -4.045 -10.782 -28.451 1.00 0.00 C ATOM 1204 CD GLU A 94 -4.216 -12.102 -27.697 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -3.650 -13.127 -28.106 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -4.967 -12.040 -26.651 1.00 0.00 O ATOM 0 H GLU A 94 -0.813 -7.990 -29.307 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.852 -10.540 -30.145 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.008 -10.938 -27.759 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.733 -9.366 -27.489 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.811 -10.075 -28.132 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.189 -10.948 -29.519 1.00 0.00 H new