USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 513 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 57 MET CE :methyl 159:sc= -0.896 (180deg=-3.3!) USER MOD Set 1.2: A 60 GLN : amide:sc= -1.12 K(o=-2,f=-6.4!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Set 3.1: A 18 THR OG1 : rot -21:sc= 0.435 USER MOD Set 3.2: A 19 SER OG : rot 180:sc= 0.0276 USER MOD Set 4.1: A 7 MET CE :methyl 177:sc= -1.37 (180deg=-1.52) USER MOD Set 4.2: A 58 LYS NZ :NH3+ 158:sc= 2.13 (180deg=1.59) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.19) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000723 K(o=-0.00072,f=-0.96) USER MOD Single : A 32 GLN : amide:sc= -0.0836 K(o=-0.084,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 150:sc= 0.533 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0479 F(o=-0.73,f=-0.048) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 48 GLN : amide:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.11) USER MOD Single : A 53 SER OG : rot 66:sc= 1.19 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 2.29 (180deg=1.18) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.862 7.394 8.299 1.00 0.00 N ATOM 26 CA VAL A 3 -3.467 7.772 8.348 1.00 0.00 C ATOM 27 C VAL A 3 -2.776 7.262 7.091 1.00 0.00 C ATOM 28 O VAL A 3 -3.114 6.198 6.571 1.00 0.00 O ATOM 29 CB VAL A 3 -2.778 7.292 9.622 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.073 8.209 10.815 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.152 5.864 9.954 1.00 0.00 C ATOM 0 HA VAL A 3 -3.396 8.859 8.377 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.706 7.329 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.563 7.830 11.700 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.719 9.216 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.147 8.234 10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.642 5.557 10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.230 5.795 10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.854 5.210 9.135 1.00 0.00 H new ATOM 41 N VAL A 4 -1.829 8.056 6.595 1.00 0.00 N ATOM 42 CA VAL A 4 -1.087 7.787 5.386 1.00 0.00 C ATOM 43 C VAL A 4 0.013 6.768 5.691 1.00 0.00 C ATOM 44 O VAL A 4 0.654 6.852 6.733 1.00 0.00 O ATOM 45 CB VAL A 4 -0.536 9.123 4.860 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.515 8.895 3.779 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.674 9.976 4.281 1.00 0.00 C ATOM 0 H VAL A 4 -1.556 8.930 7.045 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.716 7.352 4.610 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.074 9.644 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.887 9.856 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.341 8.315 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.069 8.350 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.270 10.919 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.150 9.439 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.411 10.176 5.059 1.00 0.00 H new ATOM 57 N LEU A 5 0.237 5.835 4.765 1.00 0.00 N ATOM 58 CA LEU A 5 1.309 4.851 4.779 1.00 0.00 C ATOM 59 C LEU A 5 2.084 5.021 3.485 1.00 0.00 C ATOM 60 O LEU A 5 1.473 5.062 2.420 1.00 0.00 O ATOM 61 CB LEU A 5 0.711 3.453 4.988 1.00 0.00 C ATOM 62 CG LEU A 5 1.367 2.195 4.369 1.00 0.00 C ATOM 63 CD1 LEU A 5 0.698 1.844 3.049 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.877 2.179 4.157 1.00 0.00 C ATOM 0 H LEU A 5 -0.359 5.744 3.942 1.00 0.00 H new ATOM 0 HA LEU A 5 2.008 4.990 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.660 3.287 6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.315 3.489 4.622 1.00 0.00 H new ATOM 0 HG LEU A 5 1.203 1.456 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.170 0.957 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.360 1.645 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.804 2.677 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.172 1.227 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.159 2.992 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.380 2.307 5.115 1.00 0.00 H new ATOM 76 N LYS A 6 3.414 5.140 3.586 1.00 0.00 N ATOM 77 CA LYS A 6 4.307 5.156 2.437 1.00 0.00 C ATOM 78 C LYS A 6 5.104 3.849 2.387 1.00 0.00 C ATOM 79 O LYS A 6 5.646 3.416 3.408 1.00 0.00 O ATOM 80 CB LYS A 6 5.210 6.389 2.468 1.00 0.00 C ATOM 81 CG LYS A 6 5.862 6.535 1.088 1.00 0.00 C ATOM 82 CD LYS A 6 5.958 7.990 0.636 1.00 0.00 C ATOM 83 CE LYS A 6 7.233 8.671 1.149 1.00 0.00 C ATOM 84 NZ LYS A 6 7.657 9.716 0.203 1.00 0.00 N ATOM 0 H LYS A 6 3.898 5.228 4.480 1.00 0.00 H new ATOM 0 HA LYS A 6 3.721 5.224 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.630 7.279 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.972 6.284 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.861 6.100 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.286 5.968 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.938 8.033 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.086 8.538 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.052 9.108 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.027 7.934 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.512 10.185 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.863 9.285 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.896 10.417 0.096 1.00 0.00 H new ATOM 98 N MET A 7 5.131 3.199 1.219 1.00 0.00 N ATOM 99 CA MET A 7 5.713 1.878 1.032 1.00 0.00 C ATOM 100 C MET A 7 6.506 1.810 -0.267 1.00 0.00 C ATOM 101 O MET A 7 6.235 2.568 -1.197 1.00 0.00 O ATOM 102 CB MET A 7 4.605 0.819 1.039 1.00 0.00 C ATOM 103 CG MET A 7 3.588 0.993 -0.096 1.00 0.00 C ATOM 104 SD MET A 7 2.269 -0.247 -0.104 1.00 0.00 S ATOM 105 CE MET A 7 1.580 -0.016 -1.756 1.00 0.00 C ATOM 0 H MET A 7 4.739 3.590 0.363 1.00 0.00 H new ATOM 0 HA MET A 7 6.401 1.682 1.854 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.057 -0.170 0.963 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.082 0.858 1.995 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.140 1.984 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.114 0.954 -1.050 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.791 -0.748 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.167 0.989 -1.841 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.366 -0.149 -2.500 1.00 0.00 H new ATOM 115 N LYS A 8 7.441 0.858 -0.336 1.00 0.00 N ATOM 116 CA LYS A 8 8.158 0.522 -1.555 1.00 0.00 C ATOM 117 C LYS A 8 7.345 -0.528 -2.320 1.00 0.00 C ATOM 118 O LYS A 8 6.693 -1.388 -1.712 1.00 0.00 O ATOM 119 CB LYS A 8 9.569 0.003 -1.210 1.00 0.00 C ATOM 120 CG LYS A 8 10.712 0.910 -1.701 1.00 0.00 C ATOM 121 CD LYS A 8 10.671 1.123 -3.226 1.00 0.00 C ATOM 122 CE LYS A 8 12.042 1.102 -3.924 1.00 0.00 C ATOM 123 NZ LYS A 8 12.713 2.415 -3.906 1.00 0.00 N ATOM 0 H LYS A 8 7.720 0.295 0.468 1.00 0.00 H new ATOM 0 HA LYS A 8 8.280 1.404 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.648 -0.110 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.695 -0.989 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.649 1.875 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.669 0.468 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.043 0.350 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.191 2.080 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.681 0.366 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.914 0.779 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.631 2.342 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.119 3.115 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.863 2.715 -2.921 1.00 0.00 H new ATOM 137 N VAL A 9 7.371 -0.446 -3.652 1.00 0.00 N ATOM 138 CA VAL A 9 6.750 -1.389 -4.571 1.00 0.00 C ATOM 139 C VAL A 9 7.814 -1.810 -5.586 1.00 0.00 C ATOM 140 O VAL A 9 7.737 -1.473 -6.766 1.00 0.00 O ATOM 141 CB VAL A 9 5.514 -0.745 -5.233 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.694 -1.800 -5.987 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.607 -0.086 -4.191 1.00 0.00 C ATOM 0 H VAL A 9 7.848 0.315 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 9 6.389 -2.277 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 9 5.880 0.012 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.827 -1.326 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.311 -2.256 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.360 -2.568 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.745 0.359 -4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.267 -0.837 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.162 0.690 -3.664 1.00 0.00 H new ATOM 153 N GLU A 10 8.839 -2.517 -5.107 1.00 0.00 N ATOM 154 CA GLU A 10 9.910 -3.020 -5.954 1.00 0.00 C ATOM 155 C GLU A 10 9.429 -4.280 -6.684 1.00 0.00 C ATOM 156 O GLU A 10 8.319 -4.762 -6.451 1.00 0.00 O ATOM 157 CB GLU A 10 11.219 -3.226 -5.165 1.00 0.00 C ATOM 158 CG GLU A 10 11.137 -2.750 -3.709 1.00 0.00 C ATOM 159 CD GLU A 10 12.497 -2.659 -3.034 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.386 -3.449 -3.415 1.00 0.00 O ATOM 161 OE2 GLU A 10 12.624 -1.764 -2.169 1.00 0.00 O ATOM 0 H GLU A 10 8.946 -2.754 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 10 10.156 -2.274 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.480 -4.284 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.025 -2.693 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.657 -1.772 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.503 -3.434 -3.145 1.00 0.00 H new ATOM 168 N GLY A 11 10.239 -4.800 -7.608 1.00 0.00 N ATOM 169 CA GLY A 11 9.950 -6.050 -8.301 1.00 0.00 C ATOM 170 C GLY A 11 8.884 -5.919 -9.395 1.00 0.00 C ATOM 171 O GLY A 11 9.015 -6.552 -10.441 1.00 0.00 O ATOM 0 H GLY A 11 11.115 -4.363 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.870 -6.429 -8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.620 -6.791 -7.572 1.00 0.00 H new ATOM 256 N THR A 18 -0.020 -0.754 -11.548 1.00 0.00 N ATOM 257 CA THR A 18 -0.568 0.317 -10.732 1.00 0.00 C ATOM 258 C THR A 18 -2.057 0.046 -10.579 1.00 0.00 C ATOM 259 O THR A 18 -2.476 -0.492 -9.563 1.00 0.00 O ATOM 260 CB THR A 18 -0.321 1.673 -11.415 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.666 1.577 -12.787 1.00 0.00 O ATOM 262 CG2 THR A 18 1.146 2.072 -11.304 1.00 0.00 C ATOM 0 HA THR A 18 -0.090 0.353 -9.753 1.00 0.00 H new ATOM 0 HB THR A 18 -0.934 2.427 -10.921 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.657 0.636 -13.062 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.299 3.034 -11.793 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.423 2.151 -10.253 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.766 1.316 -11.786 1.00 0.00 H new ATOM 270 N SER A 19 -2.864 0.397 -11.578 1.00 0.00 N ATOM 271 CA SER A 19 -4.303 0.514 -11.422 1.00 0.00 C ATOM 272 C SER A 19 -4.978 -0.738 -10.897 1.00 0.00 C ATOM 273 O SER A 19 -5.894 -0.657 -10.080 1.00 0.00 O ATOM 274 CB SER A 19 -4.915 1.013 -12.732 1.00 0.00 C ATOM 275 OG SER A 19 -4.058 1.992 -13.295 1.00 0.00 O ATOM 0 H SER A 19 -2.532 0.608 -12.519 1.00 0.00 H new ATOM 0 HA SER A 19 -4.488 1.249 -10.639 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.047 0.183 -13.426 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.903 1.436 -12.550 1.00 0.00 H new ATOM 0 HG SER A 19 -4.441 2.317 -14.136 1.00 0.00 H new ATOM 281 N THR A 20 -4.491 -1.894 -11.330 1.00 0.00 N ATOM 282 CA THR A 20 -4.872 -3.153 -10.737 1.00 0.00 C ATOM 283 C THR A 20 -4.686 -3.140 -9.219 1.00 0.00 C ATOM 284 O THR A 20 -5.627 -3.413 -8.476 1.00 0.00 O ATOM 285 CB THR A 20 -4.043 -4.254 -11.402 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.389 -4.339 -12.769 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.297 -5.580 -10.704 1.00 0.00 C ATOM 0 H THR A 20 -3.825 -1.977 -12.098 1.00 0.00 H new ATOM 0 HA THR A 20 -5.933 -3.338 -10.905 1.00 0.00 H new ATOM 0 HB THR A 20 -2.982 -4.017 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.858 -5.042 -13.198 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.705 -6.361 -11.181 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.014 -5.499 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.355 -5.832 -10.776 1.00 0.00 H new ATOM 295 N ILE A 21 -3.468 -2.851 -8.763 1.00 0.00 N ATOM 296 CA ILE A 21 -3.147 -2.757 -7.356 1.00 0.00 C ATOM 297 C ILE A 21 -4.058 -1.708 -6.722 1.00 0.00 C ATOM 298 O ILE A 21 -4.693 -2.004 -5.718 1.00 0.00 O ATOM 299 CB ILE A 21 -1.637 -2.481 -7.196 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.818 -3.775 -7.301 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.249 -1.807 -5.888 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.585 -4.175 -8.750 1.00 0.00 C ATOM 0 H ILE A 21 -2.672 -2.675 -9.376 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.334 -3.691 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.412 -1.794 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.141 -3.640 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.338 -4.579 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.170 -1.653 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.755 -0.845 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.544 -2.440 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.002 -5.095 -8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.544 -4.335 -9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.041 -3.382 -9.264 1.00 0.00 H new ATOM 314 N GLU A 22 -4.161 -0.515 -7.314 1.00 0.00 N ATOM 315 CA GLU A 22 -4.965 0.566 -6.767 1.00 0.00 C ATOM 316 C GLU A 22 -6.397 0.099 -6.498 1.00 0.00 C ATOM 317 O GLU A 22 -6.858 0.031 -5.365 1.00 0.00 O ATOM 318 CB GLU A 22 -4.912 1.800 -7.678 1.00 0.00 C ATOM 319 CG GLU A 22 -3.471 2.306 -7.843 1.00 0.00 C ATOM 320 CD GLU A 22 -3.406 3.790 -8.171 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.339 4.262 -8.853 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.419 4.419 -7.730 1.00 0.00 O ATOM 0 H GLU A 22 -3.687 -0.278 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.543 0.862 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.328 1.552 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.533 2.592 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.916 2.116 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.980 1.741 -8.635 1.00 0.00 H new ATOM 329 N GLY A 23 -7.086 -0.258 -7.569 1.00 0.00 N ATOM 330 CA GLY A 23 -8.421 -0.838 -7.564 1.00 0.00 C ATOM 331 C GLY A 23 -8.574 -1.975 -6.546 1.00 0.00 C ATOM 332 O GLY A 23 -9.520 -1.976 -5.759 1.00 0.00 O ATOM 0 H GLY A 23 -6.713 -0.146 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.150 -0.058 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.651 -1.216 -8.560 1.00 0.00 H new ATOM 336 N LYS A 24 -7.666 -2.957 -6.572 1.00 0.00 N ATOM 337 CA LYS A 24 -7.716 -4.110 -5.681 1.00 0.00 C ATOM 338 C LYS A 24 -7.629 -3.646 -4.224 1.00 0.00 C ATOM 339 O LYS A 24 -8.560 -3.843 -3.446 1.00 0.00 O ATOM 340 CB LYS A 24 -6.587 -5.088 -6.051 1.00 0.00 C ATOM 341 CG LYS A 24 -6.533 -6.371 -5.206 1.00 0.00 C ATOM 342 CD LYS A 24 -7.668 -7.341 -5.562 1.00 0.00 C ATOM 343 CE LYS A 24 -7.499 -8.663 -4.796 1.00 0.00 C ATOM 344 NZ LYS A 24 -8.496 -9.678 -5.202 1.00 0.00 N ATOM 0 H LYS A 24 -6.875 -2.970 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.664 -4.636 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.697 -5.366 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.633 -4.569 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.573 -6.865 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.595 -6.112 -4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.630 -6.891 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.669 -7.532 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.496 -9.054 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.590 -8.475 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.343 -10.552 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.454 -9.318 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.393 -9.879 -6.217 1.00 0.00 H new ATOM 358 N ILE A 25 -6.504 -3.040 -3.850 1.00 0.00 N ATOM 359 CA ILE A 25 -6.231 -2.539 -2.517 1.00 0.00 C ATOM 360 C ILE A 25 -7.349 -1.609 -2.053 1.00 0.00 C ATOM 361 O ILE A 25 -7.772 -1.676 -0.904 1.00 0.00 O ATOM 362 CB ILE A 25 -4.875 -1.827 -2.597 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.647 -2.745 -2.650 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.630 -0.926 -1.407 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.800 -4.080 -3.352 1.00 0.00 C ATOM 0 H ILE A 25 -5.732 -2.881 -4.497 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.191 -3.342 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.966 -1.282 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.840 -2.199 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.327 -2.938 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.658 -0.444 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.409 -0.165 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.647 -1.519 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.855 -4.622 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.575 -4.665 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.080 -3.914 -4.392 1.00 0.00 H new ATOM 377 N GLY A 26 -7.854 -0.772 -2.955 1.00 0.00 N ATOM 378 CA GLY A 26 -8.955 0.141 -2.718 1.00 0.00 C ATOM 379 C GLY A 26 -10.200 -0.538 -2.145 1.00 0.00 C ATOM 380 O GLY A 26 -11.013 0.137 -1.520 1.00 0.00 O ATOM 0 H GLY A 26 -7.490 -0.713 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.628 0.921 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.218 0.632 -3.655 1.00 0.00 H new ATOM 384 N LYS A 27 -10.382 -1.850 -2.352 1.00 0.00 N ATOM 385 CA LYS A 27 -11.511 -2.568 -1.810 1.00 0.00 C ATOM 386 C LYS A 27 -11.204 -3.104 -0.412 1.00 0.00 C ATOM 387 O LYS A 27 -12.131 -3.499 0.293 1.00 0.00 O ATOM 388 CB LYS A 27 -11.891 -3.691 -2.778 1.00 0.00 C ATOM 389 CG LYS A 27 -12.737 -3.154 -3.938 1.00 0.00 C ATOM 390 CD LYS A 27 -13.198 -4.300 -4.846 1.00 0.00 C ATOM 391 CE LYS A 27 -14.288 -3.807 -5.812 1.00 0.00 C ATOM 392 NZ LYS A 27 -14.789 -4.884 -6.691 1.00 0.00 N ATOM 0 H LYS A 27 -9.745 -2.428 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.358 -1.891 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.988 -4.160 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.446 -4.463 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.604 -2.622 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.156 -2.436 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.351 -4.690 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.582 -5.121 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.118 -3.394 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.889 -2.998 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.521 -4.503 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.004 -5.262 -7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.195 -5.645 -6.110 1.00 0.00 H new ATOM 406 N LEU A 28 -9.933 -3.180 -0.003 1.00 0.00 N ATOM 407 CA LEU A 28 -9.595 -3.819 1.238 1.00 0.00 C ATOM 408 C LEU A 28 -10.151 -3.060 2.437 1.00 0.00 C ATOM 409 O LEU A 28 -10.019 -1.843 2.568 1.00 0.00 O ATOM 410 CB LEU A 28 -8.092 -3.987 1.382 1.00 0.00 C ATOM 411 CG LEU A 28 -7.416 -5.024 0.474 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.841 -6.097 1.384 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.319 -5.717 -0.543 1.00 0.00 C ATOM 0 H LEU A 28 -9.138 -2.805 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.057 -4.806 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.624 -3.020 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.879 -4.253 2.417 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.680 -4.478 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.348 -6.860 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.117 -5.648 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.645 -6.554 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.732 -6.426 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.115 -6.248 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.755 -4.973 -1.209 1.00 0.00 H new ATOM 425 N GLN A 29 -10.732 -3.841 3.340 1.00 0.00 N ATOM 426 CA GLN A 29 -11.283 -3.390 4.601 1.00 0.00 C ATOM 427 C GLN A 29 -10.237 -2.579 5.374 1.00 0.00 C ATOM 428 O GLN A 29 -9.260 -3.129 5.877 1.00 0.00 O ATOM 429 CB GLN A 29 -11.866 -4.591 5.358 1.00 0.00 C ATOM 430 CG GLN A 29 -10.791 -5.612 5.746 1.00 0.00 C ATOM 431 CD GLN A 29 -11.341 -7.012 6.012 1.00 0.00 C ATOM 432 OE1 GLN A 29 -12.545 -7.243 5.978 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.453 -7.971 6.254 1.00 0.00 N ATOM 0 H GLN A 29 -10.834 -4.847 3.203 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.115 -2.702 4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.372 -4.240 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.619 -5.078 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.051 -5.668 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.273 -5.259 6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.457 -7.750 6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.767 -8.928 6.417 1.00 0.00 H new ATOM 442 N GLY A 30 -10.427 -1.258 5.436 1.00 0.00 N ATOM 443 CA GLY A 30 -9.537 -0.347 6.137 1.00 0.00 C ATOM 444 C GLY A 30 -9.025 0.755 5.224 1.00 0.00 C ATOM 445 O GLY A 30 -8.786 1.863 5.699 1.00 0.00 O ATOM 0 H GLY A 30 -11.217 -0.791 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.063 0.096 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.693 -0.904 6.543 1.00 0.00 H new ATOM 449 N VAL A 31 -8.835 0.466 3.937 1.00 0.00 N ATOM 450 CA VAL A 31 -8.217 1.392 3.024 1.00 0.00 C ATOM 451 C VAL A 31 -9.245 2.438 2.593 1.00 0.00 C ATOM 452 O VAL A 31 -10.393 2.112 2.301 1.00 0.00 O ATOM 453 CB VAL A 31 -7.671 0.569 1.850 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.304 1.469 0.678 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.446 -0.242 2.289 1.00 0.00 C ATOM 0 H VAL A 31 -9.109 -0.419 3.511 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.393 1.940 3.481 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.454 -0.117 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.920 0.861 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.189 2.010 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.540 2.181 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.071 -0.820 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.667 0.436 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.728 -0.919 3.096 1.00 0.00 H new ATOM 465 N GLN A 32 -8.808 3.698 2.557 1.00 0.00 N ATOM 466 CA GLN A 32 -9.580 4.840 2.104 1.00 0.00 C ATOM 467 C GLN A 32 -9.143 5.258 0.700 1.00 0.00 C ATOM 468 O GLN A 32 -9.989 5.510 -0.155 1.00 0.00 O ATOM 469 CB GLN A 32 -9.456 5.974 3.125 1.00 0.00 C ATOM 470 CG GLN A 32 -10.748 6.163 3.919 1.00 0.00 C ATOM 471 CD GLN A 32 -11.865 6.778 3.073 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.621 7.452 2.074 1.00 0.00 O ATOM 473 NE2 GLN A 32 -13.117 6.517 3.440 1.00 0.00 N ATOM 0 H GLN A 32 -7.867 3.953 2.856 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.635 4.574 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.636 5.759 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.206 6.902 2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.078 5.199 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.553 6.803 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.298 5.956 4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.896 6.878 2.889 1.00 0.00 H new ATOM 482 N ARG A 33 -7.830 5.343 0.442 1.00 0.00 N ATOM 483 CA ARG A 33 -7.329 5.770 -0.862 1.00 0.00 C ATOM 484 C ARG A 33 -5.942 5.181 -1.107 1.00 0.00 C ATOM 485 O ARG A 33 -5.253 4.828 -0.151 1.00 0.00 O ATOM 486 CB ARG A 33 -7.259 7.306 -0.906 1.00 0.00 C ATOM 487 CG ARG A 33 -7.843 7.914 -2.194 1.00 0.00 C ATOM 488 CD ARG A 33 -9.294 8.382 -2.018 1.00 0.00 C ATOM 489 NE ARG A 33 -9.410 9.386 -0.942 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.477 10.158 -0.688 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.531 10.135 -1.511 1.00 0.00 N ATOM 492 NH2 ARG A 33 -10.470 10.960 0.383 1.00 0.00 N ATOM 0 H ARG A 33 -7.101 5.121 1.121 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.005 5.416 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.796 7.710 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.219 7.617 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.228 8.758 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.798 7.175 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.657 8.806 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.929 7.526 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.600 9.504 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.524 9.530 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.342 10.722 -1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.657 10.981 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.277 11.550 0.583 1.00 0.00 H new ATOM 506 N ILE A 34 -5.527 5.132 -2.378 1.00 0.00 N ATOM 507 CA ILE A 34 -4.235 4.630 -2.823 1.00 0.00 C ATOM 508 C ILE A 34 -3.702 5.507 -3.961 1.00 0.00 C ATOM 509 O ILE A 34 -4.486 5.965 -4.789 1.00 0.00 O ATOM 510 CB ILE A 34 -4.343 3.138 -3.202 1.00 0.00 C ATOM 511 CG1 ILE A 34 -3.009 2.661 -3.803 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.505 2.820 -4.166 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.754 1.165 -3.612 1.00 0.00 C ATOM 0 H ILE A 34 -6.110 5.455 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.510 4.689 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.563 2.598 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.997 2.890 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.193 3.222 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.514 1.752 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.450 3.104 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.373 3.379 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.797 0.899 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.734 0.932 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.550 0.596 -4.092 1.00 0.00 H new ATOM 525 N LYS A 35 -2.392 5.784 -3.957 1.00 0.00 N ATOM 526 CA LYS A 35 -1.635 6.338 -5.071 1.00 0.00 C ATOM 527 C LYS A 35 -0.351 5.509 -5.224 1.00 0.00 C ATOM 528 O LYS A 35 0.463 5.498 -4.300 1.00 0.00 O ATOM 529 CB LYS A 35 -1.245 7.800 -4.795 1.00 0.00 C ATOM 530 CG LYS A 35 -2.406 8.802 -4.774 1.00 0.00 C ATOM 531 CD LYS A 35 -3.046 8.953 -3.386 1.00 0.00 C ATOM 532 CE LYS A 35 -3.924 10.212 -3.350 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.548 10.416 -2.027 1.00 0.00 N ATOM 0 H LYS A 35 -1.810 5.618 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.244 6.305 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.732 7.845 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.529 8.116 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.045 9.774 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.167 8.482 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.647 8.073 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.270 9.018 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.319 11.083 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.702 10.133 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.132 11.277 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.146 9.597 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.806 10.518 -1.305 1.00 0.00 H new ATOM 547 N VAL A 36 -0.152 4.823 -6.352 1.00 0.00 N ATOM 548 CA VAL A 36 1.047 4.037 -6.643 1.00 0.00 C ATOM 549 C VAL A 36 1.879 4.737 -7.718 1.00 0.00 C ATOM 550 O VAL A 36 1.513 4.711 -8.892 1.00 0.00 O ATOM 551 CB VAL A 36 0.646 2.617 -7.081 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.862 1.748 -7.430 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.101 1.912 -5.950 1.00 0.00 C ATOM 0 H VAL A 36 -0.838 4.799 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 36 1.658 3.954 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 36 0.020 2.734 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.526 0.756 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.416 2.209 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.509 1.661 -6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.381 0.908 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.543 1.848 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.999 2.477 -5.700 1.00 0.00 H new ATOM 563 N SER A 37 3.023 5.321 -7.343 1.00 0.00 N ATOM 564 CA SER A 37 3.960 5.854 -8.320 1.00 0.00 C ATOM 565 C SER A 37 4.928 4.740 -8.700 1.00 0.00 C ATOM 566 O SER A 37 5.980 4.583 -8.076 1.00 0.00 O ATOM 567 CB SER A 37 4.675 7.086 -7.766 1.00 0.00 C ATOM 568 OG SER A 37 5.578 7.588 -8.735 1.00 0.00 O ATOM 0 H SER A 37 3.315 5.433 -6.372 1.00 0.00 H new ATOM 0 HA SER A 37 3.436 6.187 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.947 7.853 -7.501 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.212 6.827 -6.853 1.00 0.00 H new ATOM 0 HG SER A 37 5.667 8.558 -8.627 1.00 0.00 H new ATOM 574 N LEU A 38 4.571 3.961 -9.727 1.00 0.00 N ATOM 575 CA LEU A 38 5.478 2.957 -10.271 1.00 0.00 C ATOM 576 C LEU A 38 6.806 3.628 -10.621 1.00 0.00 C ATOM 577 O LEU A 38 7.865 3.137 -10.238 1.00 0.00 O ATOM 578 CB LEU A 38 4.872 2.243 -11.493 1.00 0.00 C ATOM 579 CG LEU A 38 4.837 0.713 -11.334 1.00 0.00 C ATOM 580 CD1 LEU A 38 4.278 0.085 -12.612 1.00 0.00 C ATOM 581 CD2 LEU A 38 6.231 0.119 -11.074 1.00 0.00 C ATOM 0 H LEU A 38 3.665 4.009 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 38 5.648 2.188 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.859 2.610 -11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.451 2.498 -12.381 1.00 0.00 H new ATOM 0 HG LEU A 38 4.206 0.492 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.252 -0.999 -12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.269 0.457 -12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.915 0.350 -13.456 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.152 -0.963 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.889 0.355 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.642 0.543 -10.158 1.00 0.00 H new ATOM 593 N ASP A 39 6.729 4.785 -11.286 1.00 0.00 N ATOM 594 CA ASP A 39 7.835 5.688 -11.567 1.00 0.00 C ATOM 595 C ASP A 39 8.739 5.823 -10.355 1.00 0.00 C ATOM 596 O ASP A 39 9.925 5.503 -10.414 1.00 0.00 O ATOM 597 CB ASP A 39 7.302 7.086 -11.909 1.00 0.00 C ATOM 598 CG ASP A 39 6.249 7.067 -13.010 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.234 6.363 -12.795 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.477 7.741 -14.036 1.00 0.00 O ATOM 0 H ASP A 39 5.845 5.129 -11.660 1.00 0.00 H new ATOM 0 HA ASP A 39 8.394 5.274 -12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.875 7.536 -11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.133 7.720 -12.219 1.00 0.00 H new ATOM 605 N ASN A 40 8.175 6.323 -9.248 1.00 0.00 N ATOM 606 CA ASN A 40 8.984 6.599 -8.078 1.00 0.00 C ATOM 607 C ASN A 40 9.355 5.301 -7.345 1.00 0.00 C ATOM 608 O ASN A 40 10.141 5.328 -6.400 1.00 0.00 O ATOM 609 CB ASN A 40 8.298 7.588 -7.130 1.00 0.00 C ATOM 610 CG ASN A 40 9.315 8.295 -6.235 1.00 0.00 C ATOM 611 OD1 ASN A 40 9.212 8.154 -4.917 1.00 0.00 O flip ATOM 612 ND2 ASN A 40 10.186 9.005 -6.726 1.00 0.00 N flip ATOM 0 H ASN A 40 7.183 6.537 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 40 9.904 7.068 -8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.745 8.327 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.572 7.059 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.253 9.103 -7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.844 9.497 -6.121 1.00 0.00 H new ATOM 619 N GLN A 41 8.741 4.172 -7.736 1.00 0.00 N ATOM 620 CA GLN A 41 8.842 2.848 -7.120 1.00 0.00 C ATOM 621 C GLN A 41 8.210 2.821 -5.731 1.00 0.00 C ATOM 622 O GLN A 41 8.329 1.838 -5.000 1.00 0.00 O ATOM 623 CB GLN A 41 10.294 2.367 -7.081 1.00 0.00 C ATOM 624 CG GLN A 41 10.966 2.671 -8.413 1.00 0.00 C ATOM 625 CD GLN A 41 12.367 2.079 -8.497 1.00 0.00 C ATOM 626 OE1 GLN A 41 13.002 1.823 -7.474 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.860 1.860 -9.712 1.00 0.00 N ATOM 0 H GLN A 41 8.120 4.165 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 41 8.278 2.155 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.830 2.860 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.328 1.296 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.356 2.275 -9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.020 3.751 -8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.303 2.085 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.795 1.467 -9.820 1.00 0.00 H new ATOM 636 N GLU A 42 7.563 3.927 -5.375 1.00 0.00 N ATOM 637 CA GLU A 42 7.026 4.224 -4.058 1.00 0.00 C ATOM 638 C GLU A 42 5.515 4.425 -4.194 1.00 0.00 C ATOM 639 O GLU A 42 5.034 4.954 -5.199 1.00 0.00 O ATOM 640 CB GLU A 42 7.740 5.462 -3.472 1.00 0.00 C ATOM 641 CG GLU A 42 7.929 5.386 -1.948 1.00 0.00 C ATOM 642 CD GLU A 42 8.717 6.564 -1.365 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.225 7.717 -1.431 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.794 6.292 -0.789 1.00 0.00 O ATOM 0 H GLU A 42 7.391 4.682 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 42 7.201 3.403 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.715 5.571 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.165 6.355 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.950 5.344 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.444 4.458 -1.701 1.00 0.00 H new ATOM 651 N ALA A 43 4.760 3.989 -3.188 1.00 0.00 N ATOM 652 CA ALA A 43 3.313 4.111 -3.164 1.00 0.00 C ATOM 653 C ALA A 43 2.880 4.673 -1.819 1.00 0.00 C ATOM 654 O ALA A 43 3.596 4.528 -0.826 1.00 0.00 O ATOM 655 CB ALA A 43 2.688 2.748 -3.415 1.00 0.00 C ATOM 0 H ALA A 43 5.145 3.536 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 43 2.978 4.792 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.602 2.837 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.006 2.376 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.008 2.053 -2.639 1.00 0.00 H new ATOM 661 N THR A 44 1.712 5.313 -1.800 1.00 0.00 N ATOM 662 CA THR A 44 1.176 6.069 -0.701 1.00 0.00 C ATOM 663 C THR A 44 -0.294 5.675 -0.579 1.00 0.00 C ATOM 664 O THR A 44 -1.076 5.948 -1.490 1.00 0.00 O ATOM 665 CB THR A 44 1.380 7.551 -1.029 1.00 0.00 C ATOM 666 OG1 THR A 44 2.765 7.837 -1.009 1.00 0.00 O ATOM 667 CG2 THR A 44 0.672 8.447 -0.021 1.00 0.00 C ATOM 0 H THR A 44 1.087 5.309 -2.606 1.00 0.00 H new ATOM 0 HA THR A 44 1.662 5.874 0.255 1.00 0.00 H new ATOM 0 HB THR A 44 0.958 7.747 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.907 8.784 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.838 9.492 -0.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.397 8.235 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.068 8.257 0.976 1.00 0.00 H new ATOM 675 N ILE A 45 -0.655 4.998 0.513 1.00 0.00 N ATOM 676 CA ILE A 45 -2.021 4.567 0.792 1.00 0.00 C ATOM 677 C ILE A 45 -2.498 5.289 2.048 1.00 0.00 C ATOM 678 O ILE A 45 -1.686 5.922 2.723 1.00 0.00 O ATOM 679 CB ILE A 45 -2.067 3.040 0.919 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.622 2.461 -0.427 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.454 2.480 1.282 1.00 0.00 C ATOM 682 CD1 ILE A 45 -1.203 1.013 -0.275 1.00 0.00 C ATOM 0 H ILE A 45 0.008 4.730 1.240 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.697 4.826 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.410 2.752 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.436 2.535 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.792 3.045 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.401 1.394 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.773 2.891 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.172 2.759 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.891 0.621 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.373 0.946 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.043 0.428 0.099 1.00 0.00 H new ATOM 694 N VAL A 46 -3.792 5.216 2.362 1.00 0.00 N ATOM 695 CA VAL A 46 -4.366 5.818 3.549 1.00 0.00 C ATOM 696 C VAL A 46 -5.366 4.830 4.169 1.00 0.00 C ATOM 697 O VAL A 46 -6.226 4.321 3.450 1.00 0.00 O ATOM 698 CB VAL A 46 -4.863 7.229 3.217 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.140 7.186 2.425 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.038 8.090 4.463 1.00 0.00 C ATOM 0 H VAL A 46 -4.476 4.727 1.784 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.639 5.991 4.342 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.090 7.694 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.466 8.203 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.971 6.649 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.910 6.675 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.392 9.080 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.766 7.624 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.082 8.182 4.979 1.00 0.00 H new ATOM 710 N TYR A 47 -5.187 4.466 5.447 1.00 0.00 N ATOM 711 CA TYR A 47 -5.969 3.440 6.151 1.00 0.00 C ATOM 712 C TYR A 47 -5.858 3.646 7.673 1.00 0.00 C ATOM 713 O TYR A 47 -5.202 4.595 8.092 1.00 0.00 O ATOM 714 CB TYR A 47 -5.514 2.029 5.727 1.00 0.00 C ATOM 715 CG TYR A 47 -4.191 1.588 6.319 1.00 0.00 C ATOM 716 CD1 TYR A 47 -4.154 1.018 7.603 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.989 1.810 5.633 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.949 0.954 8.318 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.776 1.565 6.291 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.756 1.289 7.666 1.00 0.00 C ATOM 721 OH TYR A 47 -0.586 1.410 8.350 1.00 0.00 O ATOM 0 H TYR A 47 -4.472 4.891 6.037 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.020 3.537 5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.283 1.312 6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.439 1.997 4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.060 0.627 8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.997 2.164 4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.941 0.651 9.355 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.850 1.589 5.735 1.00 0.00 H new ATOM 0 HH TYR A 47 0.133 1.647 7.728 1.00 0.00 H new ATOM 731 N GLN A 48 -6.475 2.790 8.511 1.00 0.00 N ATOM 732 CA GLN A 48 -6.168 2.697 9.938 1.00 0.00 C ATOM 733 C GLN A 48 -5.917 1.276 10.470 1.00 0.00 C ATOM 734 O GLN A 48 -6.547 0.330 9.990 1.00 0.00 O ATOM 735 CB GLN A 48 -7.356 3.262 10.720 1.00 0.00 C ATOM 736 CG GLN A 48 -7.258 4.768 10.942 1.00 0.00 C ATOM 737 CD GLN A 48 -8.076 5.228 12.148 1.00 0.00 C ATOM 738 OE1 GLN A 48 -7.637 6.051 12.948 1.00 0.00 O ATOM 739 NE2 GLN A 48 -9.299 4.731 12.291 1.00 0.00 N ATOM 0 H GLN A 48 -7.203 2.143 8.208 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.239 3.251 10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.278 3.038 10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.420 2.761 11.686 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.214 5.045 11.086 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.605 5.288 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.654 4.048 11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.884 5.032 13.071 1.00 0.00 H new ATOM 748 N PRO A 49 -5.076 1.139 11.520 1.00 0.00 N ATOM 749 CA PRO A 49 -4.893 -0.092 12.283 1.00 0.00 C ATOM 750 C PRO A 49 -6.176 -0.409 13.058 1.00 0.00 C ATOM 751 O PRO A 49 -6.268 -0.201 14.266 1.00 0.00 O ATOM 752 CB PRO A 49 -3.717 0.175 13.230 1.00 0.00 C ATOM 753 CG PRO A 49 -3.804 1.676 13.480 1.00 0.00 C ATOM 754 CD PRO A 49 -4.303 2.214 12.140 1.00 0.00 C ATOM 0 HA PRO A 49 -4.685 -0.952 11.646 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.809 -0.393 14.156 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.765 -0.103 12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.492 1.912 14.292 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.836 2.098 13.750 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.920 3.101 12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.467 2.507 11.504 1.00 0.00 H new ATOM 762 N HIS A 50 -7.185 -0.885 12.336 1.00 0.00 N ATOM 763 CA HIS A 50 -8.504 -1.196 12.857 1.00 0.00 C ATOM 764 C HIS A 50 -9.049 -2.372 12.059 1.00 0.00 C ATOM 765 O HIS A 50 -9.304 -3.438 12.609 1.00 0.00 O ATOM 766 CB HIS A 50 -9.385 0.060 12.744 1.00 0.00 C ATOM 767 CG HIS A 50 -10.867 -0.172 12.913 1.00 0.00 C ATOM 768 ND1 HIS A 50 -11.861 0.473 12.208 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.473 -1.071 13.752 1.00 0.00 C ATOM 770 CE1 HIS A 50 -13.037 -0.033 12.613 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.853 -0.975 13.550 1.00 0.00 N ATOM 0 H HIS A 50 -7.100 -1.070 11.337 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.480 -1.480 13.909 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.059 0.780 13.494 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.215 0.516 11.769 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.974 -1.734 14.444 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.000 0.277 12.235 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.578 -1.515 14.022 1.00 0.00 H new ATOM 779 N LEU A 51 -9.216 -2.165 10.752 1.00 0.00 N ATOM 780 CA LEU A 51 -9.732 -3.184 9.853 1.00 0.00 C ATOM 781 C LEU A 51 -8.594 -3.999 9.231 1.00 0.00 C ATOM 782 O LEU A 51 -8.836 -5.118 8.784 1.00 0.00 O ATOM 783 CB LEU A 51 -10.604 -2.522 8.783 1.00 0.00 C ATOM 784 CG LEU A 51 -11.919 -1.969 9.354 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.479 -0.865 8.452 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.971 -3.074 9.504 1.00 0.00 C ATOM 0 H LEU A 51 -8.995 -1.282 10.291 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.347 -3.884 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.046 -1.711 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.828 -3.248 8.001 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.695 -1.558 10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.410 -0.487 8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.757 -0.052 8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.669 -1.269 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.889 -2.650 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.176 -3.516 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.597 -3.843 10.180 1.00 0.00 H new ATOM 798 N ILE A 52 -7.366 -3.460 9.195 1.00 0.00 N ATOM 799 CA ILE A 52 -6.201 -4.128 8.649 1.00 0.00 C ATOM 800 C ILE A 52 -5.143 -4.231 9.740 1.00 0.00 C ATOM 801 O ILE A 52 -5.027 -3.307 10.546 1.00 0.00 O ATOM 802 CB ILE A 52 -5.757 -3.362 7.400 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.733 -4.121 6.566 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.177 -2.009 7.759 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.351 -5.394 6.013 1.00 0.00 C ATOM 0 H ILE A 52 -7.163 -2.527 9.555 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.408 -5.150 8.332 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.661 -3.237 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.381 -3.493 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.864 -4.365 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.872 -1.491 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.930 -1.417 8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.311 -2.145 8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.611 -5.929 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.680 -6.026 6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.206 -5.141 5.386 1.00 0.00 H new ATOM 817 N SER A 53 -4.327 -5.291 9.765 1.00 0.00 N ATOM 818 CA SER A 53 -3.379 -5.517 10.851 1.00 0.00 C ATOM 819 C SER A 53 -2.091 -4.731 10.688 1.00 0.00 C ATOM 820 O SER A 53 -1.013 -5.187 11.063 1.00 0.00 O ATOM 821 CB SER A 53 -3.084 -6.993 11.017 1.00 0.00 C ATOM 822 OG SER A 53 -4.278 -7.724 11.212 1.00 0.00 O ATOM 0 H SER A 53 -4.308 -6.007 9.039 1.00 0.00 H new ATOM 0 HA SER A 53 -3.860 -5.148 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.564 -7.366 10.135 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.418 -7.142 11.867 1.00 0.00 H new ATOM 0 HG SER A 53 -4.822 -7.686 10.398 1.00 0.00 H new ATOM 828 N VAL A 54 -2.217 -3.559 10.080 1.00 0.00 N ATOM 829 CA VAL A 54 -1.176 -2.626 9.734 1.00 0.00 C ATOM 830 C VAL A 54 -0.394 -3.206 8.567 1.00 0.00 C ATOM 831 O VAL A 54 -0.419 -2.664 7.467 1.00 0.00 O ATOM 832 CB VAL A 54 -0.398 -2.174 10.990 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.078 -2.563 11.011 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.497 -0.656 11.098 1.00 0.00 C ATOM 0 H VAL A 54 -3.134 -3.216 9.795 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.557 -1.674 9.365 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.858 -2.692 11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.536 -2.201 11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.169 -3.648 10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.584 -2.118 10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.047 -0.318 11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.065 -0.199 10.208 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.544 -0.365 11.184 1.00 0.00 H new ATOM 844 N GLU A 55 0.232 -4.356 8.785 1.00 0.00 N ATOM 845 CA GLU A 55 1.158 -4.929 7.850 1.00 0.00 C ATOM 846 C GLU A 55 0.454 -5.781 6.804 1.00 0.00 C ATOM 847 O GLU A 55 0.968 -5.881 5.690 1.00 0.00 O ATOM 848 CB GLU A 55 2.226 -5.715 8.606 1.00 0.00 C ATOM 849 CG GLU A 55 3.592 -5.213 8.103 1.00 0.00 C ATOM 850 CD GLU A 55 4.772 -6.114 8.410 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.610 -7.050 9.218 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.808 -5.879 7.746 1.00 0.00 O ATOM 0 H GLU A 55 0.101 -4.914 9.629 1.00 0.00 H new ATOM 0 HA GLU A 55 1.645 -4.123 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.130 -5.561 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.118 -6.785 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.534 -5.075 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.782 -4.233 8.540 1.00 0.00 H new ATOM 859 N GLU A 56 -0.706 -6.371 7.137 1.00 0.00 N ATOM 860 CA GLU A 56 -1.465 -7.163 6.173 1.00 0.00 C ATOM 861 C GLU A 56 -1.581 -6.427 4.838 1.00 0.00 C ATOM 862 O GLU A 56 -1.372 -7.015 3.781 1.00 0.00 O ATOM 863 CB GLU A 56 -2.865 -7.413 6.715 1.00 0.00 C ATOM 864 CG GLU A 56 -2.985 -8.660 7.584 1.00 0.00 C ATOM 865 CD GLU A 56 -4.400 -8.743 8.136 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.843 -7.701 8.670 1.00 0.00 O ATOM 867 OE2 GLU A 56 -5.016 -9.820 7.995 1.00 0.00 O ATOM 0 H GLU A 56 -1.131 -6.311 8.062 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.942 -8.107 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.177 -6.546 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.557 -7.500 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.756 -9.551 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.264 -8.621 8.400 1.00 0.00 H new ATOM 874 N MET A 57 -1.895 -5.129 4.917 1.00 0.00 N ATOM 875 CA MET A 57 -1.936 -4.208 3.796 1.00 0.00 C ATOM 876 C MET A 57 -0.764 -4.487 2.846 1.00 0.00 C ATOM 877 O MET A 57 -0.963 -4.975 1.738 1.00 0.00 O ATOM 878 CB MET A 57 -1.959 -2.763 4.348 1.00 0.00 C ATOM 879 CG MET A 57 -3.136 -1.933 3.821 1.00 0.00 C ATOM 880 SD MET A 57 -2.861 -0.963 2.324 1.00 0.00 S ATOM 881 CE MET A 57 -2.296 -2.206 1.151 1.00 0.00 C ATOM 0 H MET A 57 -2.135 -4.683 5.802 1.00 0.00 H new ATOM 0 HA MET A 57 -2.840 -4.345 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.006 -2.798 5.436 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.026 -2.266 4.085 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.970 -2.610 3.636 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.449 -1.251 4.612 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.447 -1.842 0.135 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.236 -2.403 1.312 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.862 -3.126 1.295 1.00 0.00 H new ATOM 891 N LYS A 58 0.465 -4.198 3.272 1.00 0.00 N ATOM 892 CA LYS A 58 1.641 -4.377 2.433 1.00 0.00 C ATOM 893 C LYS A 58 1.843 -5.849 2.093 1.00 0.00 C ATOM 894 O LYS A 58 2.171 -6.189 0.956 1.00 0.00 O ATOM 895 CB LYS A 58 2.865 -3.806 3.162 1.00 0.00 C ATOM 896 CG LYS A 58 4.196 -3.938 2.403 1.00 0.00 C ATOM 897 CD LYS A 58 4.400 -2.886 1.308 1.00 0.00 C ATOM 898 CE LYS A 58 3.898 -3.336 -0.065 1.00 0.00 C ATOM 899 NZ LYS A 58 4.282 -2.390 -1.131 1.00 0.00 N ATOM 0 H LYS A 58 0.669 -3.836 4.203 1.00 0.00 H new ATOM 0 HA LYS A 58 1.502 -3.843 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.686 -2.751 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.962 -4.308 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.017 -3.868 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.248 -4.930 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.883 -1.970 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.461 -2.645 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.301 -4.323 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.813 -3.433 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.267 -2.877 -2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.610 -1.596 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.240 -2.029 -0.946 1.00 0.00 H new ATOM 913 N LYS A 59 1.655 -6.727 3.073 1.00 0.00 N ATOM 914 CA LYS A 59 1.843 -8.148 2.869 1.00 0.00 C ATOM 915 C LYS A 59 0.922 -8.695 1.784 1.00 0.00 C ATOM 916 O LYS A 59 1.297 -9.665 1.135 1.00 0.00 O ATOM 917 CB LYS A 59 1.735 -8.897 4.199 1.00 0.00 C ATOM 918 CG LYS A 59 3.114 -9.028 4.858 1.00 0.00 C ATOM 919 CD LYS A 59 3.899 -7.711 4.981 1.00 0.00 C ATOM 920 CE LYS A 59 5.260 -8.032 5.613 1.00 0.00 C ATOM 921 NZ LYS A 59 6.207 -6.919 5.439 1.00 0.00 N ATOM 0 H LYS A 59 1.371 -6.472 4.019 1.00 0.00 H new ATOM 0 HA LYS A 59 2.853 -8.315 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.056 -8.367 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.310 -9.887 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.986 -9.453 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.710 -9.737 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.032 -7.253 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.352 -6.996 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.130 -8.239 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.670 -8.935 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.179 -7.289 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.008 -6.430 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.105 -6.250 6.228 1.00 0.00 H new ATOM 935 N GLN A 60 -0.222 -8.062 1.507 1.00 0.00 N ATOM 936 CA GLN A 60 -1.042 -8.480 0.385 1.00 0.00 C ATOM 937 C GLN A 60 -0.254 -8.284 -0.910 1.00 0.00 C ATOM 938 O GLN A 60 -0.319 -9.115 -1.808 1.00 0.00 O ATOM 939 CB GLN A 60 -2.419 -7.796 0.400 1.00 0.00 C ATOM 940 CG GLN A 60 -2.543 -6.671 -0.629 1.00 0.00 C ATOM 941 CD GLN A 60 -3.922 -6.043 -0.628 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.134 -4.981 -0.055 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.870 -6.678 -1.309 1.00 0.00 N ATOM 0 H GLN A 60 -0.590 -7.273 2.038 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.270 -9.543 0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.190 -8.542 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.606 -7.392 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.797 -5.905 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.325 -7.064 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.659 -7.561 -1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.809 -6.283 -1.366 1.00 0.00 H new ATOM 952 N ILE A 61 0.489 -7.176 -1.001 1.00 0.00 N ATOM 953 CA ILE A 61 1.301 -6.868 -2.164 1.00 0.00 C ATOM 954 C ILE A 61 2.464 -7.849 -2.244 1.00 0.00 C ATOM 955 O ILE A 61 2.680 -8.443 -3.298 1.00 0.00 O ATOM 956 CB ILE A 61 1.735 -5.393 -2.199 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.547 -4.470 -2.537 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.823 -5.162 -3.258 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.015 -3.852 -1.265 1.00 0.00 C ATOM 0 H ILE A 61 0.539 -6.472 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 61 0.699 -6.996 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 61 2.120 -5.158 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.870 -3.684 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.230 -5.038 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.111 -4.111 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.693 -5.776 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.438 -5.435 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.853 -3.202 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.356 -4.642 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.761 -3.268 -0.770 1.00 0.00 H new ATOM 971 N GLU A 62 3.191 -8.042 -1.139 1.00 0.00 N ATOM 972 CA GLU A 62 4.309 -8.982 -1.105 1.00 0.00 C ATOM 973 C GLU A 62 3.799 -10.354 -1.580 1.00 0.00 C ATOM 974 O GLU A 62 4.384 -10.991 -2.455 1.00 0.00 O ATOM 975 CB GLU A 62 4.913 -9.031 0.310 1.00 0.00 C ATOM 976 CG GLU A 62 5.467 -7.663 0.766 1.00 0.00 C ATOM 977 CD GLU A 62 5.969 -7.660 2.209 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.170 -8.761 2.758 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.099 -6.556 2.793 1.00 0.00 O ATOM 0 H GLU A 62 3.023 -7.558 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 62 5.110 -8.664 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.151 -9.364 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.714 -9.770 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.283 -7.372 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.686 -6.910 0.660 1.00 0.00 H new ATOM 986 N ALA A 63 2.644 -10.763 -1.049 1.00 0.00 N ATOM 987 CA ALA A 63 1.957 -12.006 -1.361 1.00 0.00 C ATOM 988 C ALA A 63 1.495 -12.125 -2.818 1.00 0.00 C ATOM 989 O ALA A 63 1.268 -13.246 -3.270 1.00 0.00 O ATOM 990 CB ALA A 63 0.770 -12.163 -0.413 1.00 0.00 C ATOM 0 H ALA A 63 2.143 -10.205 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 63 2.680 -12.810 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.246 -13.092 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.127 -12.187 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.088 -11.322 -0.541 1.00 0.00 H new ATOM 996 N MET A 64 1.372 -11.027 -3.580 1.00 0.00 N ATOM 997 CA MET A 64 1.169 -11.145 -5.023 1.00 0.00 C ATOM 998 C MET A 64 2.351 -11.893 -5.649 1.00 0.00 C ATOM 999 O MET A 64 2.195 -12.538 -6.682 1.00 0.00 O ATOM 1000 CB MET A 64 1.010 -9.773 -5.695 1.00 0.00 C ATOM 1001 CG MET A 64 -0.198 -8.971 -5.196 1.00 0.00 C ATOM 1002 SD MET A 64 -1.847 -9.683 -5.441 1.00 0.00 S ATOM 1003 CE MET A 64 -2.002 -9.554 -7.236 1.00 0.00 C ATOM 0 H MET A 64 1.409 -10.071 -3.227 1.00 0.00 H new ATOM 0 HA MET A 64 0.246 -11.701 -5.184 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.915 -9.190 -5.526 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.919 -9.916 -6.772 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.065 -8.795 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.178 -7.997 -5.685 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.968 -9.952 -7.547 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.928 -8.508 -7.533 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.204 -10.124 -7.712 1.00 0.00 H new ATOM 1013 N GLY A 65 3.531 -11.781 -5.028 1.00 0.00 N ATOM 1014 CA GLY A 65 4.742 -12.485 -5.427 1.00 0.00 C ATOM 1015 C GLY A 65 5.905 -11.512 -5.590 1.00 0.00 C ATOM 1016 O GLY A 65 7.066 -11.896 -5.467 1.00 0.00 O ATOM 0 H GLY A 65 3.667 -11.181 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.994 -13.238 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.569 -13.013 -6.365 1.00 0.00 H new ATOM 1020 N PHE A 66 5.599 -10.247 -5.884 1.00 0.00 N ATOM 1021 CA PHE A 66 6.608 -9.229 -6.106 1.00 0.00 C ATOM 1022 C PHE A 66 7.198 -8.816 -4.757 1.00 0.00 C ATOM 1023 O PHE A 66 6.435 -8.397 -3.888 1.00 0.00 O ATOM 1024 CB PHE A 66 5.966 -8.026 -6.794 1.00 0.00 C ATOM 1025 CG PHE A 66 5.515 -8.325 -8.208 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.480 -8.456 -9.219 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.159 -8.564 -8.500 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.092 -8.770 -10.530 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.768 -8.870 -9.815 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.734 -8.963 -10.834 1.00 0.00 C ATOM 0 H PHE A 66 4.642 -9.907 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 66 7.403 -9.617 -6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.109 -7.694 -6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.679 -7.202 -6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.525 -8.315 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.420 -8.512 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.837 -8.863 -11.306 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.725 -9.034 -10.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.432 -9.182 -11.848 1.00 0.00 H new ATOM 1040 N PRO A 67 8.522 -8.907 -4.555 1.00 0.00 N ATOM 1041 CA PRO A 67 9.139 -8.516 -3.300 1.00 0.00 C ATOM 1042 C PRO A 67 8.953 -7.012 -3.093 1.00 0.00 C ATOM 1043 O PRO A 67 9.524 -6.206 -3.826 1.00 0.00 O ATOM 1044 CB PRO A 67 10.611 -8.918 -3.422 1.00 0.00 C ATOM 1045 CG PRO A 67 10.867 -8.887 -4.930 1.00 0.00 C ATOM 1046 CD PRO A 67 9.527 -9.333 -5.515 1.00 0.00 C ATOM 0 HA PRO A 67 8.693 -9.001 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.262 -8.224 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.792 -9.908 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.145 -7.890 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.676 -9.559 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.355 -8.879 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.501 -10.413 -5.657 1.00 0.00 H new ATOM 1054 N ALA A 68 8.137 -6.644 -2.104 1.00 0.00 N ATOM 1055 CA ALA A 68 7.853 -5.270 -1.745 1.00 0.00 C ATOM 1056 C ALA A 68 8.266 -5.060 -0.286 1.00 0.00 C ATOM 1057 O ALA A 68 8.880 -5.947 0.304 1.00 0.00 O ATOM 1058 CB ALA A 68 6.374 -5.023 -2.014 1.00 0.00 C ATOM 0 H ALA A 68 7.646 -7.320 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 68 8.416 -4.546 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.124 -3.994 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.163 -5.192 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.776 -5.706 -1.411 1.00 0.00 H new ATOM 1064 N PHE A 69 7.990 -3.886 0.299 1.00 0.00 N ATOM 1065 CA PHE A 69 8.596 -3.527 1.573 1.00 0.00 C ATOM 1066 C PHE A 69 7.965 -2.277 2.186 1.00 0.00 C ATOM 1067 O PHE A 69 7.539 -1.364 1.472 1.00 0.00 O ATOM 1068 CB PHE A 69 10.114 -3.336 1.413 1.00 0.00 C ATOM 1069 CG PHE A 69 10.853 -3.284 2.733 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.923 -4.441 3.530 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.425 -2.083 3.188 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.541 -4.391 4.792 1.00 0.00 C ATOM 1073 CE2 PHE A 69 12.051 -2.036 4.446 1.00 0.00 C ATOM 1074 CZ PHE A 69 12.101 -3.187 5.252 1.00 0.00 C ATOM 0 H PHE A 69 7.360 -3.184 -0.088 1.00 0.00 H new ATOM 0 HA PHE A 69 8.409 -4.353 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.515 -4.152 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.301 -2.414 0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.502 -5.369 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.384 -1.197 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.585 -5.277 5.407 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.494 -1.115 4.794 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.570 -3.146 6.224 1.00 0.00 H new ATOM 1084 N VAL A 70 7.899 -2.254 3.518 1.00 0.00 N ATOM 1085 CA VAL A 70 7.376 -1.154 4.311 1.00 0.00 C ATOM 1086 C VAL A 70 8.449 -0.077 4.452 1.00 0.00 C ATOM 1087 O VAL A 70 9.560 -0.371 4.880 1.00 0.00 O ATOM 1088 CB VAL A 70 6.977 -1.677 5.705 1.00 0.00 C ATOM 1089 CG1 VAL A 70 6.711 -0.523 6.679 1.00 0.00 C ATOM 1090 CG2 VAL A 70 5.740 -2.580 5.624 1.00 0.00 C ATOM 0 H VAL A 70 8.222 -3.034 4.091 1.00 0.00 H new ATOM 0 HA VAL A 70 6.501 -0.729 3.820 1.00 0.00 H new ATOM 0 HB VAL A 70 7.816 -2.263 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.432 -0.926 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.612 0.082 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.900 0.096 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.482 -2.934 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.904 -2.015 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.954 -3.433 4.980 1.00 0.00 H new