USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 707 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 71 THR OG1 : rot 123:sc= 0.629 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.495 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 21 SER OG : rot 30:sc= 1.22 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 50:sc= 0.0248 USER MOD Single : A 12 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-6.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.09) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.208 (180deg=0.196) USER MOD Single : A 32 GLN : amide:sc= 1.07 K(o=1.1,f=-0.056) USER MOD Single : A 33 ASN : amide:sc= 0.855 K(o=0.85,f=-0.34) USER MOD Single : A 44 THR OG1 : rot 170:sc= -0.316 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.15) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -163:sc= 0.104 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -102:sc= 0.639 USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= 0.0669 (180deg=-0.0932) USER MOD Single : A 72 TYR OH : rot 72:sc= 1.24 USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 1.08 (180deg=0.385) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.047 -1.220 5.401 1.00 0.00 N ATOM 2 CA MET A 1 -15.028 -1.692 6.341 1.00 0.00 C ATOM 3 C MET A 1 -13.706 -1.060 5.920 1.00 0.00 C ATOM 4 O MET A 1 -13.130 -1.470 4.908 1.00 0.00 O ATOM 5 CB MET A 1 -15.034 -3.228 6.329 1.00 0.00 C ATOM 6 CG MET A 1 -14.095 -3.862 7.352 1.00 0.00 C ATOM 7 SD MET A 1 -14.446 -5.620 7.679 1.00 0.00 S ATOM 8 CE MET A 1 -14.199 -6.375 6.048 1.00 0.00 C ATOM 0 H1 MET A 1 -16.969 -1.630 5.654 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.106 -0.183 5.445 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.791 -1.512 4.436 1.00 0.00 H new ATOM 0 HA MET A 1 -15.215 -1.398 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.049 -3.578 6.517 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.757 -3.574 5.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.068 -3.765 6.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.163 -3.307 8.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.383 -7.448 6.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.891 -5.930 5.333 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.175 -6.201 5.718 1.00 0.00 H new ATOM 18 N ALA A 2 -13.270 -0.013 6.630 1.00 0.00 N ATOM 19 CA ALA A 2 -12.093 0.775 6.265 1.00 0.00 C ATOM 20 C ALA A 2 -10.842 0.214 6.949 1.00 0.00 C ATOM 21 O ALA A 2 -10.945 -0.395 8.015 1.00 0.00 O ATOM 22 CB ALA A 2 -12.314 2.236 6.679 1.00 0.00 C ATOM 0 H ALA A 2 -13.730 0.312 7.481 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.945 0.722 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.439 2.827 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.191 2.631 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.469 2.289 7.757 1.00 0.00 H new ATOM 28 N LEU A 3 -9.667 0.442 6.361 1.00 0.00 N ATOM 29 CA LEU A 3 -8.357 -0.009 6.817 1.00 0.00 C ATOM 30 C LEU A 3 -7.431 1.158 6.607 1.00 0.00 C ATOM 31 O LEU A 3 -7.104 1.466 5.463 1.00 0.00 O ATOM 32 CB LEU A 3 -7.881 -1.228 6.003 1.00 0.00 C ATOM 33 CG LEU A 3 -8.746 -2.470 6.335 1.00 0.00 C ATOM 34 CD1 LEU A 3 -9.804 -2.714 5.255 1.00 0.00 C ATOM 35 CD2 LEU A 3 -7.927 -3.751 6.519 1.00 0.00 C ATOM 0 H LEU A 3 -9.604 0.982 5.498 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.385 -0.322 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.943 -1.008 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.834 -1.436 6.226 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.225 -2.239 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.395 -3.592 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.458 -1.845 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.313 -2.879 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.596 -4.580 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.381 -3.969 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.220 -3.617 7.338 1.00 0.00 H new ATOM 47 N VAL A 4 -7.075 1.845 7.685 1.00 0.00 N ATOM 48 CA VAL A 4 -6.380 3.119 7.599 1.00 0.00 C ATOM 49 C VAL A 4 -5.052 3.046 8.341 1.00 0.00 C ATOM 50 O VAL A 4 -4.617 3.982 9.006 1.00 0.00 O ATOM 51 CB VAL A 4 -7.316 4.231 8.087 1.00 0.00 C ATOM 52 CG1 VAL A 4 -8.718 4.145 7.474 1.00 0.00 C ATOM 53 CG2 VAL A 4 -7.367 4.327 9.614 1.00 0.00 C ATOM 0 H VAL A 4 -7.260 1.535 8.639 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.122 3.356 6.567 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.879 5.162 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.334 4.958 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.646 4.225 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.173 3.190 7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.044 5.130 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.724 3.383 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.369 4.536 9.999 1.00 0.00 H new ATOM 63 N LEU A 5 -4.404 1.902 8.214 1.00 0.00 N ATOM 64 CA LEU A 5 -3.158 1.596 8.870 1.00 0.00 C ATOM 65 C LEU A 5 -2.401 0.654 7.954 1.00 0.00 C ATOM 66 O LEU A 5 -3.014 -0.268 7.421 1.00 0.00 O ATOM 67 CB LEU A 5 -3.401 1.039 10.272 1.00 0.00 C ATOM 68 CG LEU A 5 -4.188 -0.290 10.327 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.262 -1.462 10.665 1.00 0.00 C ATOM 70 CD2 LEU A 5 -5.292 -0.212 11.375 1.00 0.00 C ATOM 0 H LEU A 5 -4.747 1.139 7.631 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.553 2.488 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.437 0.892 10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.941 1.786 10.854 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.627 -0.454 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.841 -2.385 10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.488 -1.546 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.798 -1.290 11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.837 -1.156 11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.852 -0.020 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.978 0.596 11.121 1.00 0.00 H new ATOM 82 N VAL A 6 -1.104 0.876 7.733 1.00 0.00 N ATOM 83 CA VAL A 6 -0.328 -0.021 6.878 1.00 0.00 C ATOM 84 C VAL A 6 1.165 -0.002 7.249 1.00 0.00 C ATOM 85 O VAL A 6 2.054 -0.010 6.400 1.00 0.00 O ATOM 86 CB VAL A 6 -0.666 0.232 5.388 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.438 1.685 4.973 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.038 -0.713 4.407 1.00 0.00 C ATOM 0 H VAL A 6 -0.577 1.655 8.127 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.618 -1.056 7.057 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.731 0.011 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.690 1.806 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.069 2.339 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.608 1.948 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.256 -0.464 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.118 -0.605 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.246 -1.742 4.626 1.00 0.00 H new ATOM 98 N LYS A 7 1.485 0.042 8.537 1.00 0.00 N ATOM 99 CA LYS A 7 2.861 0.053 9.025 1.00 0.00 C ATOM 100 C LYS A 7 3.163 -1.191 9.860 1.00 0.00 C ATOM 101 O LYS A 7 4.061 -1.157 10.701 1.00 0.00 O ATOM 102 CB LYS A 7 3.040 1.325 9.873 1.00 0.00 C ATOM 103 CG LYS A 7 2.025 1.409 11.024 1.00 0.00 C ATOM 104 CD LYS A 7 2.517 2.334 12.124 1.00 0.00 C ATOM 105 CE LYS A 7 1.364 2.594 13.089 1.00 0.00 C ATOM 106 NZ LYS A 7 1.791 3.491 14.179 1.00 0.00 N ATOM 0 H LYS A 7 0.789 0.071 9.282 1.00 0.00 H new ATOM 0 HA LYS A 7 3.554 0.048 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.051 1.347 10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.935 2.202 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.069 1.768 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.852 0.414 11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.358 1.882 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.874 3.272 11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.526 3.039 12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.011 1.650 13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.993 3.656 14.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.575 3.052 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.106 4.398 13.779 1.00 0.00 H new ATOM 120 N TYR A 8 2.611 -2.345 9.500 1.00 0.00 N ATOM 121 CA TYR A 8 2.809 -3.590 10.239 1.00 0.00 C ATOM 122 C TYR A 8 2.807 -4.754 9.251 1.00 0.00 C ATOM 123 O TYR A 8 2.399 -5.868 9.585 1.00 0.00 O ATOM 124 CB TYR A 8 1.639 -3.709 11.250 1.00 0.00 C ATOM 125 CG TYR A 8 2.041 -3.839 12.701 1.00 0.00 C ATOM 126 CD1 TYR A 8 2.614 -5.032 13.167 1.00 0.00 C ATOM 127 CD2 TYR A 8 1.766 -2.802 13.608 1.00 0.00 C ATOM 128 CE1 TYR A 8 2.902 -5.201 14.530 1.00 0.00 C ATOM 129 CE2 TYR A 8 2.039 -2.963 14.978 1.00 0.00 C ATOM 130 CZ TYR A 8 2.597 -4.174 15.445 1.00 0.00 C ATOM 131 OH TYR A 8 2.895 -4.336 16.761 1.00 0.00 O ATOM 0 H TYR A 8 2.010 -2.445 8.682 1.00 0.00 H new ATOM 0 HA TYR A 8 3.759 -3.604 10.773 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.001 -2.831 11.145 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.035 -4.575 10.980 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.835 -5.827 12.471 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.342 -1.875 13.251 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.357 -6.117 14.877 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.823 -2.163 15.671 1.00 0.00 H new ATOM 0 HH TYR A 8 2.622 -3.537 17.259 1.00 0.00 H new ATOM 141 N GLY A 9 3.376 -4.530 8.062 1.00 0.00 N ATOM 142 CA GLY A 9 3.248 -5.444 6.942 1.00 0.00 C ATOM 143 C GLY A 9 1.777 -5.750 6.721 1.00 0.00 C ATOM 144 O GLY A 9 0.987 -4.898 6.293 1.00 0.00 O ATOM 0 H GLY A 9 3.939 -3.704 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.680 -5.002 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.798 -6.364 7.141 1.00 0.00 H new ATOM 148 N THR A 10 1.402 -6.957 7.095 1.00 0.00 N ATOM 149 CA THR A 10 0.209 -7.606 6.596 1.00 0.00 C ATOM 150 C THR A 10 -1.016 -7.202 7.417 1.00 0.00 C ATOM 151 O THR A 10 -1.448 -7.965 8.281 1.00 0.00 O ATOM 152 CB THR A 10 0.425 -9.122 6.504 1.00 0.00 C ATOM 153 OG1 THR A 10 0.990 -9.616 7.705 1.00 0.00 O ATOM 154 CG2 THR A 10 1.358 -9.500 5.345 1.00 0.00 C ATOM 0 H THR A 10 1.926 -7.522 7.764 1.00 0.00 H new ATOM 0 HA THR A 10 0.006 -7.266 5.581 1.00 0.00 H new ATOM 0 HB THR A 10 -0.555 -9.567 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.468 -9.294 8.469 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.483 -10.582 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.925 -9.160 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.329 -9.026 5.490 1.00 0.00 H new ATOM 162 N ASP A 11 -1.563 -5.994 7.202 1.00 0.00 N ATOM 163 CA ASP A 11 -2.776 -5.582 7.917 1.00 0.00 C ATOM 164 C ASP A 11 -3.612 -4.513 7.178 1.00 0.00 C ATOM 165 O ASP A 11 -4.140 -3.595 7.797 1.00 0.00 O ATOM 166 CB ASP A 11 -2.398 -5.162 9.356 1.00 0.00 C ATOM 167 CG ASP A 11 -3.528 -5.371 10.372 1.00 0.00 C ATOM 168 OD1 ASP A 11 -4.673 -5.716 9.991 1.00 0.00 O ATOM 169 OD2 ASP A 11 -3.267 -5.303 11.593 1.00 0.00 O ATOM 0 H ASP A 11 -1.192 -5.301 6.552 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.444 -6.442 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.524 -5.731 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.111 -4.111 9.355 1.00 0.00 H new ATOM 174 N HIS A 12 -3.734 -4.612 5.844 1.00 0.00 N ATOM 175 CA HIS A 12 -4.530 -3.743 4.967 1.00 0.00 C ATOM 176 C HIS A 12 -4.726 -4.425 3.599 1.00 0.00 C ATOM 177 O HIS A 12 -4.029 -5.403 3.319 1.00 0.00 O ATOM 178 CB HIS A 12 -3.852 -2.361 4.837 1.00 0.00 C ATOM 179 CG HIS A 12 -2.971 -2.190 3.618 1.00 0.00 C ATOM 180 ND1 HIS A 12 -2.146 -3.142 3.065 1.00 0.00 N ATOM 181 CD2 HIS A 12 -2.926 -1.101 2.791 1.00 0.00 C ATOM 182 CE1 HIS A 12 -1.630 -2.640 1.937 1.00 0.00 C ATOM 183 NE2 HIS A 12 -2.058 -1.392 1.736 1.00 0.00 N ATOM 0 H HIS A 12 -3.252 -5.343 5.321 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.517 -3.582 5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.626 -1.594 4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.251 -2.183 5.729 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -1.960 -4.069 3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.468 -0.177 2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.959 -3.172 1.279 1.00 0.00 H new ATOM 191 N PRO A 13 -5.648 -3.979 2.730 1.00 0.00 N ATOM 192 CA PRO A 13 -5.873 -4.619 1.436 1.00 0.00 C ATOM 193 C PRO A 13 -4.738 -4.306 0.470 1.00 0.00 C ATOM 194 O PRO A 13 -4.105 -3.289 0.633 1.00 0.00 O ATOM 195 CB PRO A 13 -7.197 -4.033 0.952 1.00 0.00 C ATOM 196 CG PRO A 13 -7.233 -2.638 1.562 1.00 0.00 C ATOM 197 CD PRO A 13 -6.504 -2.815 2.891 1.00 0.00 C ATOM 0 HA PRO A 13 -5.907 -5.706 1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.241 -3.993 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.044 -4.634 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.735 -1.908 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.255 -2.289 1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.916 -1.930 3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.212 -2.962 3.707 1.00 0.00 H new ATOM 205 N VAL A 14 -4.538 -5.139 -0.560 1.00 0.00 N ATOM 206 CA VAL A 14 -3.649 -4.995 -1.715 1.00 0.00 C ATOM 207 C VAL A 14 -3.519 -6.367 -2.360 1.00 0.00 C ATOM 208 O VAL A 14 -3.441 -6.457 -3.573 1.00 0.00 O ATOM 209 CB VAL A 14 -2.288 -4.336 -1.378 1.00 0.00 C ATOM 210 CG1 VAL A 14 -1.065 -4.934 -2.089 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.343 -2.853 -1.779 1.00 0.00 C ATOM 0 H VAL A 14 -5.049 -6.021 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.085 -4.293 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.154 -4.506 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.167 -4.398 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.969 -5.987 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.190 -4.842 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.390 -2.378 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.538 -2.772 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.141 -2.356 -1.227 1.00 0.00 H new ATOM 221 N GLU A 15 -3.570 -7.452 -1.585 1.00 0.00 N ATOM 222 CA GLU A 15 -3.372 -8.784 -2.155 1.00 0.00 C ATOM 223 C GLU A 15 -4.045 -9.866 -1.325 1.00 0.00 C ATOM 224 O GLU A 15 -3.836 -11.042 -1.530 1.00 0.00 O ATOM 225 CB GLU A 15 -1.869 -8.980 -2.332 1.00 0.00 C ATOM 226 CG GLU A 15 -1.161 -9.367 -1.036 1.00 0.00 C ATOM 227 CD GLU A 15 -0.698 -10.821 -1.037 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.086 -11.215 -2.038 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.799 -11.505 0.014 1.00 0.00 O ATOM 0 H GLU A 15 -3.743 -7.436 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.855 -8.868 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.695 -9.754 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.431 -8.059 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.301 -8.715 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.834 -9.204 -0.195 1.00 0.00 H new ATOM 236 N LYS A 16 -4.871 -9.486 -0.363 1.00 0.00 N ATOM 237 CA LYS A 16 -5.468 -10.411 0.573 1.00 0.00 C ATOM 238 C LYS A 16 -6.675 -9.741 1.160 1.00 0.00 C ATOM 239 O LYS A 16 -7.799 -10.048 0.779 1.00 0.00 O ATOM 240 CB LYS A 16 -4.431 -10.806 1.633 1.00 0.00 C ATOM 241 CG LYS A 16 -4.830 -12.113 2.321 1.00 0.00 C ATOM 242 CD LYS A 16 -4.181 -13.256 1.545 1.00 0.00 C ATOM 243 CE LYS A 16 -4.759 -14.629 1.875 1.00 0.00 C ATOM 244 NZ LYS A 16 -3.767 -15.681 1.577 1.00 0.00 N ATOM 0 H LYS A 16 -5.145 -8.515 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.785 -11.335 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.452 -10.919 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.341 -10.012 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.498 -12.117 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.914 -12.225 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.297 -13.070 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.111 -13.263 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.040 -14.671 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.666 -14.799 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.170 -16.612 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.519 -15.649 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.912 -15.524 2.148 1.00 0.00 H new ATOM 258 N LEU A 17 -6.437 -8.692 1.949 1.00 0.00 N ATOM 259 CA LEU A 17 -7.510 -7.947 2.573 1.00 0.00 C ATOM 260 C LEU A 17 -8.461 -7.378 1.505 1.00 0.00 C ATOM 261 O LEU A 17 -9.671 -7.372 1.696 1.00 0.00 O ATOM 262 CB LEU A 17 -6.936 -6.920 3.571 1.00 0.00 C ATOM 263 CG LEU A 17 -7.190 -7.242 5.045 1.00 0.00 C ATOM 264 CD1 LEU A 17 -8.677 -7.095 5.335 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.657 -8.620 5.448 1.00 0.00 C ATOM 0 H LEU A 17 -5.503 -8.345 2.166 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.135 -8.605 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.861 -6.842 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.363 -5.942 3.349 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.635 -6.531 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.867 -7.323 6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.990 -6.073 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.240 -7.784 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.864 -8.796 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.146 -9.389 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.581 -8.658 5.279 1.00 0.00 H new ATOM 277 N LYS A 18 -7.937 -7.038 0.311 1.00 0.00 N ATOM 278 CA LYS A 18 -8.743 -6.549 -0.816 1.00 0.00 C ATOM 279 C LYS A 18 -9.832 -7.566 -1.184 1.00 0.00 C ATOM 280 O LYS A 18 -10.902 -7.189 -1.636 1.00 0.00 O ATOM 281 CB LYS A 18 -7.886 -6.177 -2.060 1.00 0.00 C ATOM 282 CG LYS A 18 -7.795 -7.218 -3.203 1.00 0.00 C ATOM 283 CD LYS A 18 -6.800 -8.329 -2.877 1.00 0.00 C ATOM 284 CE LYS A 18 -7.146 -9.708 -3.442 1.00 0.00 C ATOM 285 NZ LYS A 18 -7.227 -9.794 -4.911 1.00 0.00 N ATOM 0 H LYS A 18 -6.940 -7.096 0.104 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.219 -5.626 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.284 -5.252 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.873 -5.963 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.779 -7.651 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.496 -6.720 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.819 -8.037 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.715 -8.410 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.398 -10.421 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.103 -10.022 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.076 -10.779 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.166 -9.477 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.496 -9.188 -5.335 1.00 0.00 H new ATOM 299 N ILE A 19 -9.543 -8.864 -1.094 1.00 0.00 N ATOM 300 CA ILE A 19 -10.473 -9.905 -1.507 1.00 0.00 C ATOM 301 C ILE A 19 -11.655 -9.847 -0.535 1.00 0.00 C ATOM 302 O ILE A 19 -12.804 -9.714 -0.959 1.00 0.00 O ATOM 303 CB ILE A 19 -9.698 -11.257 -1.615 1.00 0.00 C ATOM 304 CG1 ILE A 19 -9.699 -11.823 -3.054 1.00 0.00 C ATOM 305 CG2 ILE A 19 -10.114 -12.373 -0.651 1.00 0.00 C ATOM 306 CD1 ILE A 19 -8.465 -12.702 -3.304 1.00 0.00 C ATOM 0 H ILE A 19 -8.658 -9.219 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.898 -9.773 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.695 -10.958 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.605 -12.407 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.716 -11.002 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.500 -13.256 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.976 -12.036 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.163 -12.622 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.492 -13.086 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.561 -12.109 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.464 -13.536 -2.602 1.00 0.00 H new ATOM 318 N ARG A 20 -11.363 -9.763 0.771 1.00 0.00 N ATOM 319 CA ARG A 20 -12.359 -9.703 1.829 1.00 0.00 C ATOM 320 C ARG A 20 -13.250 -8.463 1.698 1.00 0.00 C ATOM 321 O ARG A 20 -14.366 -8.498 2.218 1.00 0.00 O ATOM 322 CB ARG A 20 -11.667 -9.759 3.202 1.00 0.00 C ATOM 323 CG ARG A 20 -10.909 -11.078 3.492 1.00 0.00 C ATOM 324 CD ARG A 20 -9.446 -10.838 3.898 1.00 0.00 C ATOM 325 NE ARG A 20 -8.892 -11.838 4.831 1.00 0.00 N ATOM 326 CZ ARG A 20 -9.085 -11.862 6.159 1.00 0.00 C ATOM 327 NH1 ARG A 20 -9.898 -10.992 6.750 1.00 0.00 N ATOM 328 NH2 ARG A 20 -8.462 -12.780 6.886 1.00 0.00 N ATOM 0 H ARG A 20 -10.405 -9.735 1.119 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.014 -10.569 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.964 -8.929 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.417 -9.609 3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.420 -11.619 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.938 -11.712 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.832 -10.822 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.367 -9.852 4.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.312 -12.576 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.387 -10.291 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.033 -11.025 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.846 -13.456 6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.599 -12.810 7.896 1.00 0.00 H new ATOM 342 N SER A 21 -12.790 -7.389 1.036 1.00 0.00 N ATOM 343 CA SER A 21 -13.510 -6.144 0.777 1.00 0.00 C ATOM 344 C SER A 21 -12.681 -5.219 -0.131 1.00 0.00 C ATOM 345 O SER A 21 -11.815 -4.521 0.396 1.00 0.00 O ATOM 346 CB SER A 21 -13.764 -5.452 2.123 1.00 0.00 C ATOM 347 OG SER A 21 -14.927 -5.961 2.739 1.00 0.00 O ATOM 0 H SER A 21 -11.848 -7.372 0.646 1.00 0.00 H new ATOM 0 HA SER A 21 -14.451 -6.362 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.906 -5.598 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.869 -4.378 1.970 1.00 0.00 H new ATOM 0 HG SER A 21 -15.054 -6.897 2.476 1.00 0.00 H new ATOM 353 N ALA A 22 -12.920 -5.196 -1.453 1.00 0.00 N ATOM 354 CA ALA A 22 -12.412 -4.197 -2.408 1.00 0.00 C ATOM 355 C ALA A 22 -12.976 -4.434 -3.810 1.00 0.00 C ATOM 356 O ALA A 22 -13.552 -5.493 -4.089 1.00 0.00 O ATOM 357 CB ALA A 22 -10.877 -4.212 -2.517 1.00 0.00 C ATOM 0 H ALA A 22 -13.498 -5.905 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.737 -3.232 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.556 -3.457 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.441 -3.995 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.546 -5.195 -2.852 1.00 0.00 H new ATOM 363 N LYS A 23 -12.704 -3.494 -4.726 1.00 0.00 N ATOM 364 CA LYS A 23 -12.925 -3.630 -6.162 1.00 0.00 C ATOM 365 C LYS A 23 -11.791 -2.955 -6.918 1.00 0.00 C ATOM 366 O LYS A 23 -10.794 -2.572 -6.312 1.00 0.00 O ATOM 367 CB LYS A 23 -14.304 -3.062 -6.559 1.00 0.00 C ATOM 368 CG LYS A 23 -14.994 -3.961 -7.597 1.00 0.00 C ATOM 369 CD LYS A 23 -15.576 -5.221 -6.944 1.00 0.00 C ATOM 370 CE LYS A 23 -16.942 -4.877 -6.348 1.00 0.00 C ATOM 371 NZ LYS A 23 -17.360 -5.851 -5.332 1.00 0.00 N ATOM 0 H LYS A 23 -12.310 -2.588 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.929 -4.686 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.933 -2.974 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.184 -2.058 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.790 -3.404 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.278 -4.246 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.675 -6.018 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.906 -5.588 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.903 -3.883 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.686 -4.841 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.290 -5.581 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.422 -6.796 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.664 -5.867 -4.560 1.00 0.00 H new ATOM 385 N ALA A 24 -11.931 -2.858 -8.236 1.00 0.00 N ATOM 386 CA ALA A 24 -11.000 -2.141 -9.075 1.00 0.00 C ATOM 387 C ALA A 24 -11.010 -0.637 -8.779 1.00 0.00 C ATOM 388 O ALA A 24 -9.955 -0.010 -8.800 1.00 0.00 O ATOM 389 CB ALA A 24 -11.355 -2.387 -10.541 1.00 0.00 C ATOM 0 H ALA A 24 -12.704 -3.282 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.996 -2.509 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.656 -1.848 -11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.295 -3.454 -10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.368 -2.035 -10.734 1.00 0.00 H new ATOM 395 N GLU A 25 -12.174 -0.048 -8.472 1.00 0.00 N ATOM 396 CA GLU A 25 -12.261 1.393 -8.190 1.00 0.00 C ATOM 397 C GLU A 25 -11.964 1.696 -6.731 1.00 0.00 C ATOM 398 O GLU A 25 -12.598 2.533 -6.081 1.00 0.00 O ATOM 399 CB GLU A 25 -13.609 1.984 -8.633 1.00 0.00 C ATOM 400 CG GLU A 25 -13.442 3.140 -9.633 1.00 0.00 C ATOM 401 CD GLU A 25 -12.888 4.421 -8.993 1.00 0.00 C ATOM 402 OE1 GLU A 25 -11.721 4.455 -8.544 1.00 0.00 O ATOM 403 OE2 GLU A 25 -13.623 5.432 -8.952 1.00 0.00 O ATOM 0 H GLU A 25 -13.064 -0.543 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.490 1.883 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.215 1.200 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.152 2.340 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.774 2.824 -10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.407 3.358 -10.090 1.00 0.00 H new ATOM 410 N ASP A 26 -10.989 0.981 -6.199 1.00 0.00 N ATOM 411 CA ASP A 26 -10.563 1.169 -4.840 1.00 0.00 C ATOM 412 C ASP A 26 -9.181 1.798 -4.832 1.00 0.00 C ATOM 413 O ASP A 26 -8.499 1.827 -5.857 1.00 0.00 O ATOM 414 CB ASP A 26 -10.616 -0.176 -4.132 1.00 0.00 C ATOM 415 CG ASP A 26 -10.980 -0.047 -2.656 1.00 0.00 C ATOM 416 OD1 ASP A 26 -10.635 0.970 -2.002 1.00 0.00 O ATOM 417 OD2 ASP A 26 -11.637 -0.962 -2.125 1.00 0.00 O ATOM 0 H ASP A 26 -10.476 0.257 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.220 1.851 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.346 -0.815 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.648 -0.669 -4.222 1.00 0.00 H new ATOM 422 N LYS A 27 -8.760 2.329 -3.689 1.00 0.00 N ATOM 423 CA LYS A 27 -7.587 3.188 -3.605 1.00 0.00 C ATOM 424 C LYS A 27 -6.722 2.750 -2.436 1.00 0.00 C ATOM 425 O LYS A 27 -7.258 2.620 -1.333 1.00 0.00 O ATOM 426 CB LYS A 27 -8.035 4.657 -3.519 1.00 0.00 C ATOM 427 CG LYS A 27 -8.659 5.189 -4.830 1.00 0.00 C ATOM 428 CD LYS A 27 -10.190 5.188 -4.968 1.00 0.00 C ATOM 429 CE LYS A 27 -10.565 6.310 -5.948 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.977 6.259 -6.370 1.00 0.00 N ATOM 0 H LYS A 27 -9.224 2.175 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.972 3.098 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.761 4.761 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.177 5.276 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.315 6.214 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.252 4.602 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.541 4.224 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.663 5.351 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.366 7.274 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.926 6.244 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.158 7.008 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.179 5.332 -6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.592 6.401 -5.543 1.00 0.00 H new ATOM 444 N ILE A 28 -5.441 2.417 -2.670 1.00 0.00 N ATOM 445 CA ILE A 28 -4.556 1.901 -1.624 1.00 0.00 C ATOM 446 C ILE A 28 -3.102 2.355 -1.850 1.00 0.00 C ATOM 447 O ILE A 28 -2.735 2.678 -2.981 1.00 0.00 O ATOM 448 CB ILE A 28 -4.644 0.356 -1.551 1.00 0.00 C ATOM 449 CG1 ILE A 28 -6.018 -0.314 -1.866 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.285 -0.008 -0.102 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.872 -1.797 -2.195 1.00 0.00 C ATOM 0 H ILE A 28 -4.997 2.499 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.888 2.311 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.981 -0.016 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.683 -0.197 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.487 0.199 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.327 -1.090 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.278 0.344 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.995 0.463 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.853 -2.221 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.230 -1.915 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.429 -2.316 -1.345 1.00 0.00 H new ATOM 463 N VAL A 29 -2.287 2.361 -0.787 1.00 0.00 N ATOM 464 CA VAL A 29 -0.847 2.656 -0.735 1.00 0.00 C ATOM 465 C VAL A 29 -0.241 1.851 0.434 1.00 0.00 C ATOM 466 O VAL A 29 -0.959 1.579 1.395 1.00 0.00 O ATOM 467 CB VAL A 29 -0.617 4.178 -0.553 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.839 4.561 -0.222 1.00 0.00 C ATOM 469 CG2 VAL A 29 -1.009 4.928 -1.831 1.00 0.00 C ATOM 0 H VAL A 29 -2.649 2.140 0.141 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.361 2.368 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.240 4.459 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.914 5.643 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.140 4.079 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.494 4.233 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.843 5.996 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.401 4.572 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.062 4.750 -2.049 1.00 0.00 H new ATOM 479 N LEU A 30 1.062 1.526 0.405 1.00 0.00 N ATOM 480 CA LEU A 30 1.799 0.858 1.489 1.00 0.00 C ATOM 481 C LEU A 30 2.760 1.837 2.152 1.00 0.00 C ATOM 482 O LEU A 30 3.321 2.697 1.462 1.00 0.00 O ATOM 483 CB LEU A 30 2.628 -0.370 1.023 1.00 0.00 C ATOM 484 CG LEU A 30 2.235 -1.111 -0.261 1.00 0.00 C ATOM 485 CD1 LEU A 30 3.231 -2.233 -0.555 1.00 0.00 C ATOM 486 CD2 LEU A 30 0.861 -1.754 -0.138 1.00 0.00 C ATOM 0 H LEU A 30 1.651 1.729 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 30 1.035 0.506 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.660 -0.040 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.617 -1.097 1.835 1.00 0.00 H new ATOM 0 HG LEU A 30 2.230 -0.370 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.938 -2.749 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.228 -1.811 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.238 -2.940 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.616 -2.270 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.866 -2.470 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.115 -0.984 0.057 1.00 0.00 H new ATOM 498 N ILE A 31 2.999 1.669 3.460 1.00 0.00 N ATOM 499 CA ILE A 31 3.985 2.449 4.202 1.00 0.00 C ATOM 500 C ILE A 31 4.863 1.514 5.048 1.00 0.00 C ATOM 501 O ILE A 31 4.677 0.301 5.028 1.00 0.00 O ATOM 502 CB ILE A 31 3.320 3.643 4.917 1.00 0.00 C ATOM 503 CG1 ILE A 31 2.973 3.303 6.369 1.00 0.00 C ATOM 504 CG2 ILE A 31 2.162 4.293 4.119 1.00 0.00 C ATOM 505 CD1 ILE A 31 2.332 4.470 7.092 1.00 0.00 C ATOM 0 H ILE A 31 2.507 0.982 4.032 1.00 0.00 H new ATOM 0 HA ILE A 31 4.693 2.937 3.532 1.00 0.00 H new ATOM 0 HB ILE A 31 4.067 4.436 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.296 2.449 6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.879 3.004 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.748 5.124 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.539 4.661 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.383 3.552 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.104 4.181 8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.019 5.316 7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.412 4.753 6.581 1.00 0.00 H new ATOM 517 N GLN A 32 5.816 2.082 5.782 1.00 0.00 N ATOM 518 CA GLN A 32 6.728 1.515 6.772 1.00 0.00 C ATOM 519 C GLN A 32 7.056 0.039 6.525 1.00 0.00 C ATOM 520 O GLN A 32 7.997 -0.248 5.785 1.00 0.00 O ATOM 521 CB GLN A 32 6.257 1.804 8.211 1.00 0.00 C ATOM 522 CG GLN A 32 5.961 3.295 8.469 1.00 0.00 C ATOM 523 CD GLN A 32 6.890 3.980 9.472 1.00 0.00 C ATOM 524 OE1 GLN A 32 6.764 3.809 10.685 1.00 0.00 O ATOM 525 NE2 GLN A 32 7.792 4.822 9.009 1.00 0.00 N ATOM 0 H GLN A 32 5.989 3.082 5.683 1.00 0.00 H new ATOM 0 HA GLN A 32 7.680 2.031 6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.358 1.222 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.022 1.466 8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.019 3.830 7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.935 3.389 8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.892 4.960 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.390 5.336 9.656 1.00 0.00 H new ATOM 534 N ASN A 33 6.330 -0.886 7.169 1.00 0.00 N ATOM 535 CA ASN A 33 6.521 -2.339 7.023 1.00 0.00 C ATOM 536 C ASN A 33 5.477 -2.942 6.095 1.00 0.00 C ATOM 537 O ASN A 33 5.734 -3.981 5.492 1.00 0.00 O ATOM 538 CB ASN A 33 6.440 -3.051 8.379 1.00 0.00 C ATOM 539 CG ASN A 33 7.385 -2.385 9.358 1.00 0.00 C ATOM 540 OD1 ASN A 33 8.589 -2.354 9.107 1.00 0.00 O ATOM 541 ND2 ASN A 33 6.855 -1.697 10.364 1.00 0.00 N ATOM 0 H ASN A 33 5.581 -0.643 7.817 1.00 0.00 H new ATOM 0 HA ASN A 33 7.514 -2.483 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.420 -3.014 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.700 -4.103 8.265 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.451 -1.120 10.957 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.852 -1.746 10.543 1.00 0.00 H new ATOM 548 N GLY A 34 4.332 -2.265 5.930 1.00 0.00 N ATOM 549 CA GLY A 34 3.331 -2.527 4.900 1.00 0.00 C ATOM 550 C GLY A 34 3.946 -2.764 3.533 1.00 0.00 C ATOM 551 O GLY A 34 3.371 -3.491 2.732 1.00 0.00 O ATOM 0 H GLY A 34 4.072 -1.489 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.742 -3.399 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.644 -1.683 4.843 1.00 0.00 H new ATOM 555 N VAL A 35 5.117 -2.184 3.269 1.00 0.00 N ATOM 556 CA VAL A 35 5.891 -2.410 2.058 1.00 0.00 C ATOM 557 C VAL A 35 5.981 -3.873 1.629 1.00 0.00 C ATOM 558 O VAL A 35 6.005 -4.106 0.424 1.00 0.00 O ATOM 559 CB VAL A 35 7.302 -1.835 2.197 1.00 0.00 C ATOM 560 CG1 VAL A 35 7.242 -0.328 2.269 1.00 0.00 C ATOM 561 CG2 VAL A 35 8.164 -2.344 3.358 1.00 0.00 C ATOM 0 H VAL A 35 5.561 -1.528 3.911 1.00 0.00 H new ATOM 0 HA VAL A 35 5.342 -1.889 1.273 1.00 0.00 H new ATOM 0 HB VAL A 35 7.804 -2.199 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.251 0.072 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.785 0.062 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.647 -0.028 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.136 -1.851 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.669 -2.122 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.301 -3.421 3.264 1.00 0.00 H new ATOM 571 N PHE A 36 6.016 -4.827 2.571 1.00 0.00 N ATOM 572 CA PHE A 36 5.993 -6.262 2.331 1.00 0.00 C ATOM 573 C PHE A 36 4.924 -6.665 1.315 1.00 0.00 C ATOM 574 O PHE A 36 5.180 -7.566 0.528 1.00 0.00 O ATOM 575 CB PHE A 36 5.714 -6.970 3.659 1.00 0.00 C ATOM 576 CG PHE A 36 6.884 -7.285 4.570 1.00 0.00 C ATOM 577 CD1 PHE A 36 7.997 -6.428 4.693 1.00 0.00 C ATOM 578 CD2 PHE A 36 6.833 -8.469 5.328 1.00 0.00 C ATOM 579 CE1 PHE A 36 9.053 -6.782 5.551 1.00 0.00 C ATOM 580 CE2 PHE A 36 7.891 -8.816 6.180 1.00 0.00 C ATOM 581 CZ PHE A 36 9.000 -7.966 6.305 1.00 0.00 C ATOM 0 H PHE A 36 6.063 -4.600 3.564 1.00 0.00 H new ATOM 0 HA PHE A 36 6.960 -6.552 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.012 -6.355 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.207 -7.908 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.038 -5.506 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.972 -9.116 5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.915 -6.136 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.852 -9.738 6.740 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.807 -8.220 6.976 1.00 0.00 H new ATOM 591 N TRP A 37 3.753 -6.011 1.272 1.00 0.00 N ATOM 592 CA TRP A 37 2.713 -6.410 0.329 1.00 0.00 C ATOM 593 C TRP A 37 3.154 -6.248 -1.139 1.00 0.00 C ATOM 594 O TRP A 37 2.579 -6.915 -2.006 1.00 0.00 O ATOM 595 CB TRP A 37 1.403 -5.650 0.541 1.00 0.00 C ATOM 596 CG TRP A 37 0.671 -5.783 1.845 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.576 -4.815 2.780 1.00 0.00 C ATOM 598 CD2 TRP A 37 -0.195 -6.864 2.317 1.00 0.00 C ATOM 599 NE1 TRP A 37 -0.262 -5.238 3.790 1.00 0.00 N ATOM 600 CE2 TRP A 37 -0.898 -6.420 3.469 1.00 0.00 C ATOM 601 CE3 TRP A 37 -0.471 -8.176 1.900 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -1.936 -7.173 4.050 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -1.515 -8.936 2.466 1.00 0.00 C ATOM 604 CH2 TRP A 37 -2.313 -8.403 3.495 1.00 0.00 C ATOM 0 H TRP A 37 3.511 -5.220 1.869 1.00 0.00 H new ATOM 0 HA TRP A 37 2.541 -7.467 0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.613 -4.591 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.718 -5.954 -0.250 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.077 -3.859 2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.396 -4.738 4.669 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.135 -8.616 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.444 -6.801 4.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.704 -9.937 2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.190 -8.926 3.847 1.00 0.00 H new ATOM 615 N ALA A 38 4.156 -5.411 -1.446 1.00 0.00 N ATOM 616 CA ALA A 38 4.730 -5.248 -2.780 1.00 0.00 C ATOM 617 C ALA A 38 5.764 -6.328 -3.048 1.00 0.00 C ATOM 618 O ALA A 38 6.755 -6.024 -3.710 1.00 0.00 O ATOM 619 CB ALA A 38 5.383 -3.854 -2.881 1.00 0.00 C ATOM 0 H ALA A 38 4.599 -4.813 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 38 3.940 -5.338 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.814 -3.725 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.629 -3.086 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.168 -3.765 -2.131 1.00 0.00 H new ATOM 625 N LEU A 39 5.508 -7.559 -2.591 1.00 0.00 N ATOM 626 CA LEU A 39 6.371 -8.727 -2.691 1.00 0.00 C ATOM 627 C LEU A 39 5.755 -9.907 -1.927 1.00 0.00 C ATOM 628 O LEU A 39 6.296 -10.429 -0.951 1.00 0.00 O ATOM 629 CB LEU A 39 7.828 -8.409 -2.341 1.00 0.00 C ATOM 630 CG LEU A 39 8.209 -7.771 -0.992 1.00 0.00 C ATOM 631 CD1 LEU A 39 9.738 -7.777 -0.997 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.868 -6.294 -0.749 1.00 0.00 C ATOM 0 H LEU A 39 4.634 -7.773 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 39 6.427 -9.043 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.384 -9.343 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.205 -7.749 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 39 7.657 -8.337 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.107 -7.339 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.098 -8.803 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.101 -7.194 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.203 -6.002 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.369 -5.677 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.790 -6.152 -0.825 1.00 0.00 H new ATOM 644 N GLU A 40 4.571 -10.289 -2.411 1.00 0.00 N ATOM 645 CA GLU A 40 3.702 -11.383 -1.951 1.00 0.00 C ATOM 646 C GLU A 40 3.174 -12.185 -3.152 1.00 0.00 C ATOM 647 O GLU A 40 3.899 -12.364 -4.134 1.00 0.00 O ATOM 648 CB GLU A 40 2.593 -10.849 -1.034 1.00 0.00 C ATOM 649 CG GLU A 40 3.059 -10.066 0.174 1.00 0.00 C ATOM 650 CD GLU A 40 3.652 -10.924 1.296 1.00 0.00 C ATOM 651 OE1 GLU A 40 3.255 -12.119 1.413 1.00 0.00 O ATOM 652 OE2 GLU A 40 4.433 -10.404 2.117 1.00 0.00 O ATOM 0 H GLU A 40 4.157 -9.800 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 40 4.282 -12.079 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.934 -10.212 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.995 -11.693 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.807 -9.340 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.216 -9.501 0.572 1.00 0.00 H new ATOM 659 N GLU A 41 1.977 -12.755 -3.041 1.00 0.00 N ATOM 660 CA GLU A 41 1.443 -13.870 -3.830 1.00 0.00 C ATOM 661 C GLU A 41 0.029 -13.709 -4.397 1.00 0.00 C ATOM 662 O GLU A 41 -0.722 -14.681 -4.565 1.00 0.00 O ATOM 663 CB GLU A 41 1.603 -15.162 -3.017 1.00 0.00 C ATOM 664 CG GLU A 41 0.678 -15.206 -1.787 1.00 0.00 C ATOM 665 CD GLU A 41 1.083 -16.252 -0.747 1.00 0.00 C ATOM 666 OE1 GLU A 41 0.738 -17.444 -0.884 1.00 0.00 O ATOM 667 OE2 GLU A 41 1.625 -15.845 0.317 1.00 0.00 O ATOM 0 H GLU A 41 1.303 -12.429 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 41 2.038 -13.901 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.391 -16.018 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.639 -15.256 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.669 -14.223 -1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.340 -15.411 -2.117 1.00 0.00 H new ATOM 674 N LEU A 42 -0.290 -12.506 -4.846 1.00 0.00 N ATOM 675 CA LEU A 42 -1.619 -12.052 -5.260 1.00 0.00 C ATOM 676 C LEU A 42 -1.444 -10.626 -5.776 1.00 0.00 C ATOM 677 O LEU A 42 -0.321 -10.173 -5.982 1.00 0.00 O ATOM 678 CB LEU A 42 -2.544 -12.083 -4.028 1.00 0.00 C ATOM 679 CG LEU A 42 -3.615 -13.192 -3.979 1.00 0.00 C ATOM 680 CD1 LEU A 42 -3.487 -14.013 -2.694 1.00 0.00 C ATOM 681 CD2 LEU A 42 -5.044 -12.629 -3.995 1.00 0.00 C ATOM 0 H LEU A 42 0.411 -11.771 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.058 -12.681 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.920 -12.176 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.051 -11.120 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.446 -13.803 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.252 -14.789 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.501 -14.475 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.617 -13.360 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.759 -13.451 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.190 -11.983 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.198 -12.054 -4.908 1.00 0.00 H new ATOM 693 N GLU A 43 -2.542 -9.905 -5.967 1.00 0.00 N ATOM 694 CA GLU A 43 -2.576 -8.491 -6.291 1.00 0.00 C ATOM 695 C GLU A 43 -3.996 -7.993 -6.001 1.00 0.00 C ATOM 696 O GLU A 43 -4.838 -8.742 -5.501 1.00 0.00 O ATOM 697 CB GLU A 43 -2.161 -8.271 -7.753 1.00 0.00 C ATOM 698 CG GLU A 43 -3.115 -8.953 -8.728 1.00 0.00 C ATOM 699 CD GLU A 43 -2.617 -8.788 -10.158 1.00 0.00 C ATOM 700 OE1 GLU A 43 -2.841 -7.702 -10.755 1.00 0.00 O ATOM 701 OE2 GLU A 43 -1.985 -9.738 -10.663 1.00 0.00 O ATOM 0 H GLU A 43 -3.474 -10.313 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.867 -7.924 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.130 -7.202 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.152 -8.655 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.198 -10.012 -8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.112 -8.524 -8.631 1.00 0.00 H new ATOM 708 N THR A 44 -4.267 -6.741 -6.331 1.00 0.00 N ATOM 709 CA THR A 44 -5.561 -6.059 -6.327 1.00 0.00 C ATOM 710 C THR A 44 -5.871 -5.570 -7.746 1.00 0.00 C ATOM 711 O THR A 44 -4.950 -5.206 -8.481 1.00 0.00 O ATOM 712 CB THR A 44 -5.599 -4.947 -5.269 1.00 0.00 C ATOM 713 OG1 THR A 44 -6.886 -4.419 -5.034 1.00 0.00 O ATOM 714 CG2 THR A 44 -4.692 -3.825 -5.646 1.00 0.00 C ATOM 0 H THR A 44 -3.522 -6.115 -6.637 1.00 0.00 H new ATOM 0 HA THR A 44 -6.351 -6.752 -6.039 1.00 0.00 H new ATOM 0 HB THR A 44 -5.267 -5.425 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.862 -3.838 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.736 -3.049 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.670 -4.195 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.006 -3.409 -6.603 1.00 0.00 H new ATOM 722 N PRO A 45 -7.159 -5.473 -8.121 1.00 0.00 N ATOM 723 CA PRO A 45 -7.554 -4.708 -9.283 1.00 0.00 C ATOM 724 C PRO A 45 -7.542 -3.187 -9.020 1.00 0.00 C ATOM 725 O PRO A 45 -7.792 -2.422 -9.952 1.00 0.00 O ATOM 726 CB PRO A 45 -8.943 -5.225 -9.653 1.00 0.00 C ATOM 727 CG PRO A 45 -9.529 -5.716 -8.333 1.00 0.00 C ATOM 728 CD PRO A 45 -8.339 -5.942 -7.416 1.00 0.00 C ATOM 0 HA PRO A 45 -6.849 -4.840 -10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.556 -4.438 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.885 -6.030 -10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.215 -4.981 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.095 -6.637 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.467 -5.401 -6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.242 -6.998 -7.164 1.00 0.00 H new ATOM 736 N ALA A 46 -7.280 -2.756 -7.778 1.00 0.00 N ATOM 737 CA ALA A 46 -7.229 -1.361 -7.349 1.00 0.00 C ATOM 738 C ALA A 46 -5.905 -0.709 -7.761 1.00 0.00 C ATOM 739 O ALA A 46 -5.008 -1.394 -8.253 1.00 0.00 O ATOM 740 CB ALA A 46 -7.356 -1.337 -5.822 1.00 0.00 C ATOM 0 H ALA A 46 -7.090 -3.404 -7.014 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.039 -0.803 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.321 -0.306 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.304 -1.789 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.534 -1.899 -5.380 1.00 0.00 H new ATOM 746 N LYS A 47 -5.736 0.593 -7.500 1.00 0.00 N ATOM 747 CA LYS A 47 -4.454 1.259 -7.676 1.00 0.00 C ATOM 748 C LYS A 47 -3.604 0.897 -6.453 1.00 0.00 C ATOM 749 O LYS A 47 -4.142 0.776 -5.343 1.00 0.00 O ATOM 750 CB LYS A 47 -4.703 2.769 -7.861 1.00 0.00 C ATOM 751 CG LYS A 47 -5.014 3.436 -6.524 1.00 0.00 C ATOM 752 CD LYS A 47 -5.651 4.810 -6.468 1.00 0.00 C ATOM 753 CE LYS A 47 -4.775 5.893 -7.007 1.00 0.00 C ATOM 754 NZ LYS A 47 -5.427 7.220 -6.981 1.00 0.00 N ATOM 0 H LYS A 47 -6.481 1.204 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.911 0.941 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.825 3.234 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.533 2.923 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.667 2.759 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.077 3.496 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.584 4.793 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.908 5.041 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.854 5.934 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.494 5.651 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.850 7.901 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.371 7.152 -7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.519 7.542 -5.997 1.00 0.00 H new ATOM 768 N VAL A 48 -2.295 0.722 -6.626 1.00 0.00 N ATOM 769 CA VAL A 48 -1.390 0.341 -5.560 1.00 0.00 C ATOM 770 C VAL A 48 -0.109 1.104 -5.798 1.00 0.00 C ATOM 771 O VAL A 48 0.344 1.227 -6.940 1.00 0.00 O ATOM 772 CB VAL A 48 -1.133 -1.177 -5.569 1.00 0.00 C ATOM 773 CG1 VAL A 48 -0.287 -1.613 -4.363 1.00 0.00 C ATOM 774 CG2 VAL A 48 -2.445 -1.952 -5.516 1.00 0.00 C ATOM 0 H VAL A 48 -1.833 0.844 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.814 0.577 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.599 -1.394 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.126 -2.690 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.675 -1.101 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.809 -1.358 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.236 -3.022 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.984 -1.694 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.054 -1.695 -6.382 1.00 0.00 H new ATOM 784 N TYR A 49 0.453 1.593 -4.699 1.00 0.00 N ATOM 785 CA TYR A 49 1.737 2.269 -4.644 1.00 0.00 C ATOM 786 C TYR A 49 2.366 1.940 -3.295 1.00 0.00 C ATOM 787 O TYR A 49 1.652 1.544 -2.378 1.00 0.00 O ATOM 788 CB TYR A 49 1.530 3.785 -4.770 1.00 0.00 C ATOM 789 CG TYR A 49 0.673 4.229 -5.945 1.00 0.00 C ATOM 790 CD1 TYR A 49 -0.728 4.318 -5.810 1.00 0.00 C ATOM 791 CD2 TYR A 49 1.261 4.487 -7.197 1.00 0.00 C ATOM 792 CE1 TYR A 49 -1.535 4.613 -6.916 1.00 0.00 C ATOM 793 CE2 TYR A 49 0.457 4.775 -8.310 1.00 0.00 C ATOM 794 CZ TYR A 49 -0.946 4.827 -8.180 1.00 0.00 C ATOM 795 OH TYR A 49 -1.717 5.050 -9.277 1.00 0.00 O ATOM 0 H TYR A 49 0.005 1.525 -3.785 1.00 0.00 H new ATOM 0 HA TYR A 49 2.383 1.943 -5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.073 4.150 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.506 4.263 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.183 4.157 -4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.336 4.463 -7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.607 4.677 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.915 4.958 -9.271 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.142 5.178 -10.060 1.00 0.00 H new ATOM 805 N ALA A 50 3.663 2.163 -3.118 1.00 0.00 N ATOM 806 CA ALA A 50 4.323 2.110 -1.816 1.00 0.00 C ATOM 807 C ALA A 50 5.103 3.414 -1.645 1.00 0.00 C ATOM 808 O ALA A 50 5.549 4.007 -2.626 1.00 0.00 O ATOM 809 CB ALA A 50 5.248 0.895 -1.745 1.00 0.00 C ATOM 0 H ALA A 50 4.296 2.389 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 50 3.595 2.007 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.735 0.865 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.665 -0.015 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.004 0.967 -2.526 1.00 0.00 H new ATOM 815 N ILE A 51 5.339 3.814 -0.402 1.00 0.00 N ATOM 816 CA ILE A 51 6.177 4.949 -0.034 1.00 0.00 C ATOM 817 C ILE A 51 7.618 4.486 -0.144 1.00 0.00 C ATOM 818 O ILE A 51 8.083 3.652 0.634 1.00 0.00 O ATOM 819 CB ILE A 51 5.791 5.457 1.378 1.00 0.00 C ATOM 820 CG1 ILE A 51 4.396 6.081 1.441 1.00 0.00 C ATOM 821 CG2 ILE A 51 6.802 6.482 1.901 1.00 0.00 C ATOM 822 CD1 ILE A 51 4.091 7.091 0.340 1.00 0.00 C ATOM 0 H ILE A 51 4.938 3.340 0.407 1.00 0.00 H new ATOM 0 HA ILE A 51 6.035 5.803 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 51 5.794 4.566 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.655 5.283 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.277 6.572 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.500 6.817 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.789 6.023 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.837 7.336 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.080 7.477 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.803 7.914 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.171 6.605 -0.632 1.00 0.00 H new ATOM 834 N LYS A 52 8.302 5.043 -1.146 1.00 0.00 N ATOM 835 CA LYS A 52 9.684 4.761 -1.453 1.00 0.00 C ATOM 836 C LYS A 52 10.536 4.952 -0.222 1.00 0.00 C ATOM 837 O LYS A 52 11.193 4.008 0.184 1.00 0.00 O ATOM 838 CB LYS A 52 10.150 5.593 -2.659 1.00 0.00 C ATOM 839 CG LYS A 52 11.556 5.152 -3.088 1.00 0.00 C ATOM 840 CD LYS A 52 11.911 5.555 -4.521 1.00 0.00 C ATOM 841 CE LYS A 52 12.217 7.048 -4.668 1.00 0.00 C ATOM 842 NZ LYS A 52 12.402 7.435 -6.081 1.00 0.00 N ATOM 0 H LYS A 52 7.884 5.724 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 52 9.793 3.717 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.453 5.470 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.155 6.652 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.288 5.584 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.633 4.069 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.776 4.979 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.084 5.293 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.403 7.630 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.117 7.291 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.607 8.453 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.195 6.899 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.534 7.226 -6.615 1.00 0.00 H new ATOM 856 N ASP A 53 10.486 6.124 0.400 1.00 0.00 N ATOM 857 CA ASP A 53 11.269 6.436 1.590 1.00 0.00 C ATOM 858 C ASP A 53 11.139 5.341 2.640 1.00 0.00 C ATOM 859 O ASP A 53 12.151 4.861 3.135 1.00 0.00 O ATOM 860 CB ASP A 53 10.794 7.755 2.191 1.00 0.00 C ATOM 861 CG ASP A 53 11.363 8.965 1.455 1.00 0.00 C ATOM 862 OD1 ASP A 53 11.116 9.092 0.228 1.00 0.00 O ATOM 863 OD2 ASP A 53 11.976 9.839 2.096 1.00 0.00 O ATOM 0 H ASP A 53 9.894 6.894 0.089 1.00 0.00 H new ATOM 0 HA ASP A 53 12.314 6.513 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.705 7.794 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.087 7.800 3.240 1.00 0.00 H new ATOM 868 N ASP A 54 9.916 4.907 2.959 1.00 0.00 N ATOM 869 CA ASP A 54 9.688 3.839 3.921 1.00 0.00 C ATOM 870 C ASP A 54 10.292 2.510 3.482 1.00 0.00 C ATOM 871 O ASP A 54 10.876 1.819 4.311 1.00 0.00 O ATOM 872 CB ASP A 54 8.188 3.660 4.143 1.00 0.00 C ATOM 873 CG ASP A 54 7.669 4.468 5.319 1.00 0.00 C ATOM 874 OD1 ASP A 54 8.357 4.561 6.352 1.00 0.00 O ATOM 875 OD2 ASP A 54 6.498 4.899 5.275 1.00 0.00 O ATOM 0 H ASP A 54 9.061 5.289 2.555 1.00 0.00 H new ATOM 0 HA ASP A 54 10.183 4.133 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.653 3.956 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.973 2.604 4.310 1.00 0.00 H new ATOM 880 N PHE A 55 10.172 2.144 2.208 1.00 0.00 N ATOM 881 CA PHE A 55 10.769 0.941 1.625 1.00 0.00 C ATOM 882 C PHE A 55 12.287 0.982 1.766 1.00 0.00 C ATOM 883 O PHE A 55 12.910 0.034 2.236 1.00 0.00 O ATOM 884 CB PHE A 55 10.344 0.841 0.148 1.00 0.00 C ATOM 885 CG PHE A 55 10.566 -0.495 -0.545 1.00 0.00 C ATOM 886 CD1 PHE A 55 10.121 -1.689 0.043 1.00 0.00 C ATOM 887 CD2 PHE A 55 11.143 -0.550 -1.825 1.00 0.00 C ATOM 888 CE1 PHE A 55 10.195 -2.914 -0.638 1.00 0.00 C ATOM 889 CE2 PHE A 55 11.260 -1.781 -2.496 1.00 0.00 C ATOM 890 CZ PHE A 55 10.793 -2.965 -1.903 1.00 0.00 C ATOM 0 H PHE A 55 9.641 2.692 1.531 1.00 0.00 H new ATOM 0 HA PHE A 55 10.417 0.056 2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.283 1.084 0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.881 1.607 -0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.712 -1.665 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.498 0.355 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.794 -3.811 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.713 -1.816 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.894 -3.908 -2.419 1.00 0.00 H new ATOM 900 N LEU A 56 12.889 2.114 1.427 1.00 0.00 N ATOM 901 CA LEU A 56 14.314 2.360 1.558 1.00 0.00 C ATOM 902 C LEU A 56 14.707 2.302 3.027 1.00 0.00 C ATOM 903 O LEU A 56 15.726 1.700 3.368 1.00 0.00 O ATOM 904 CB LEU A 56 14.643 3.720 0.927 1.00 0.00 C ATOM 905 CG LEU A 56 14.339 3.790 -0.582 1.00 0.00 C ATOM 906 CD1 LEU A 56 14.626 5.216 -1.072 1.00 0.00 C ATOM 907 CD2 LEU A 56 15.177 2.817 -1.414 1.00 0.00 C ATOM 0 H LEU A 56 12.381 2.910 1.041 1.00 0.00 H new ATOM 0 HA LEU A 56 14.888 1.595 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.075 4.496 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.699 3.939 1.087 1.00 0.00 H new ATOM 0 HG LEU A 56 13.293 3.512 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.416 5.283 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.993 5.920 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.673 5.459 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.913 2.918 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.235 3.043 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.981 1.796 -1.087 1.00 0.00 H new ATOM 919 N ALA A 57 13.869 2.840 3.911 1.00 0.00 N ATOM 920 CA ALA A 57 14.049 2.761 5.348 1.00 0.00 C ATOM 921 C ALA A 57 13.792 1.349 5.876 1.00 0.00 C ATOM 922 O ALA A 57 14.053 1.085 7.052 1.00 0.00 O ATOM 923 CB ALA A 57 13.120 3.749 6.057 1.00 0.00 C ATOM 0 H ALA A 57 13.031 3.352 3.636 1.00 0.00 H new ATOM 0 HA ALA A 57 15.087 3.019 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.267 3.678 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.346 4.763 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.084 3.512 5.816 1.00 0.00 H new ATOM 929 N ARG A 58 13.294 0.431 5.043 1.00 0.00 N ATOM 930 CA ARG A 58 13.170 -0.983 5.394 1.00 0.00 C ATOM 931 C ARG A 58 14.173 -1.761 4.543 1.00 0.00 C ATOM 932 O ARG A 58 13.946 -2.934 4.263 1.00 0.00 O ATOM 933 CB ARG A 58 11.698 -1.420 5.170 1.00 0.00 C ATOM 934 CG ARG A 58 10.985 -2.067 6.374 1.00 0.00 C ATOM 935 CD ARG A 58 10.650 -3.557 6.235 1.00 0.00 C ATOM 936 NE ARG A 58 11.675 -4.448 6.803 1.00 0.00 N ATOM 937 CZ ARG A 58 12.450 -5.356 6.197 1.00 0.00 C ATOM 938 NH1 ARG A 58 12.682 -5.340 4.892 1.00 0.00 N ATOM 939 NH2 ARG A 58 13.001 -6.290 6.952 1.00 0.00 N ATOM 0 H ARG A 58 12.965 0.650 4.103 1.00 0.00 H new ATOM 0 HA ARG A 58 13.401 -1.179 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.125 -0.545 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.673 -2.125 4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.613 -1.937 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.059 -1.522 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.697 -3.754 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.519 -3.794 5.179 1.00 0.00 H new ATOM 0 HE ARG A 58 11.816 -4.360 7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.263 -4.616 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.279 -6.052 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.829 -6.300 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.598 -7.001 6.529 1.00 0.00 H new ATOM 953 N GLY A 59 15.356 -1.183 4.305 1.00 0.00 N ATOM 954 CA GLY A 59 16.507 -1.801 3.662 1.00 0.00 C ATOM 955 C GLY A 59 16.141 -2.634 2.436 1.00 0.00 C ATOM 956 O GLY A 59 16.423 -3.838 2.427 1.00 0.00 O ATOM 0 H GLY A 59 15.540 -0.216 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.210 -1.023 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.020 -2.436 4.384 1.00 0.00 H new ATOM 960 N TYR A 60 15.558 -1.998 1.416 1.00 0.00 N ATOM 961 CA TYR A 60 15.329 -2.523 0.088 1.00 0.00 C ATOM 962 C TYR A 60 16.013 -1.594 -0.919 1.00 0.00 C ATOM 963 O TYR A 60 16.261 -0.413 -0.637 1.00 0.00 O ATOM 964 CB TYR A 60 13.821 -2.557 -0.194 1.00 0.00 C ATOM 965 CG TYR A 60 12.995 -3.602 0.536 1.00 0.00 C ATOM 966 CD1 TYR A 60 12.835 -4.892 -0.006 1.00 0.00 C ATOM 967 CD2 TYR A 60 12.297 -3.255 1.706 1.00 0.00 C ATOM 968 CE1 TYR A 60 12.108 -5.866 0.700 1.00 0.00 C ATOM 969 CE2 TYR A 60 11.437 -4.176 2.327 1.00 0.00 C ATOM 970 CZ TYR A 60 11.370 -5.502 1.853 1.00 0.00 C ATOM 971 OH TYR A 60 10.543 -6.381 2.482 1.00 0.00 O ATOM 0 H TYR A 60 15.215 -1.042 1.513 1.00 0.00 H new ATOM 0 HA TYR A 60 15.731 -3.533 0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.411 -1.576 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.682 -2.706 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.271 -5.133 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.423 -2.270 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.112 -6.892 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.829 -3.869 3.165 1.00 0.00 H new ATOM 0 HH TYR A 60 9.928 -5.891 3.067 1.00 0.00 H new ATOM 981 N SER A 61 16.293 -2.126 -2.099 1.00 0.00 N ATOM 982 CA SER A 61 16.513 -1.393 -3.330 1.00 0.00 C ATOM 983 C SER A 61 15.149 -1.010 -3.893 1.00 0.00 C ATOM 984 O SER A 61 14.126 -1.555 -3.489 1.00 0.00 O ATOM 985 CB SER A 61 17.244 -2.355 -4.271 1.00 0.00 C ATOM 986 OG SER A 61 17.659 -1.780 -5.495 1.00 0.00 O ATOM 0 H SER A 61 16.377 -3.134 -2.227 1.00 0.00 H new ATOM 0 HA SER A 61 17.099 -0.484 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.119 -2.752 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.590 -3.200 -4.485 1.00 0.00 H new ATOM 0 HG SER A 61 18.117 -2.457 -6.036 1.00 0.00 H new ATOM 992 N GLU A 62 15.122 -0.123 -4.878 1.00 0.00 N ATOM 993 CA GLU A 62 13.910 0.221 -5.587 1.00 0.00 C ATOM 994 C GLU A 62 13.350 -1.022 -6.279 1.00 0.00 C ATOM 995 O GLU A 62 12.187 -1.384 -6.122 1.00 0.00 O ATOM 996 CB GLU A 62 14.208 1.306 -6.626 1.00 0.00 C ATOM 997 CG GLU A 62 14.889 2.554 -6.045 1.00 0.00 C ATOM 998 CD GLU A 62 14.691 3.712 -7.026 1.00 0.00 C ATOM 999 OE1 GLU A 62 13.570 4.254 -7.114 1.00 0.00 O ATOM 1000 OE2 GLU A 62 15.595 4.065 -7.818 1.00 0.00 O ATOM 0 H GLU A 62 15.948 0.378 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 62 13.173 0.600 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.845 0.885 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.275 1.603 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.461 2.802 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.951 2.368 -5.887 1.00 0.00 H new ATOM 1007 N GLU A 63 14.209 -1.690 -7.046 1.00 0.00 N ATOM 1008 CA GLU A 63 13.829 -2.752 -7.967 1.00 0.00 C ATOM 1009 C GLU A 63 13.500 -4.066 -7.243 1.00 0.00 C ATOM 1010 O GLU A 63 13.191 -5.067 -7.888 1.00 0.00 O ATOM 1011 CB GLU A 63 14.953 -2.890 -9.008 1.00 0.00 C ATOM 1012 CG GLU A 63 14.407 -3.280 -10.388 1.00 0.00 C ATOM 1013 CD GLU A 63 15.408 -2.965 -11.498 1.00 0.00 C ATOM 1014 OE1 GLU A 63 15.739 -1.777 -11.682 1.00 0.00 O ATOM 1015 OE2 GLU A 63 15.812 -3.893 -12.239 1.00 0.00 O ATOM 0 H GLU A 63 15.211 -1.501 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 63 12.901 -2.494 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.495 -1.947 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.667 -3.642 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.173 -4.344 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.475 -2.746 -10.575 1.00 0.00 H new ATOM 1022 N ASP A 64 13.556 -4.061 -5.906 1.00 0.00 N ATOM 1023 CA ASP A 64 13.088 -5.164 -5.079 1.00 0.00 C ATOM 1024 C ASP A 64 11.562 -5.253 -5.074 1.00 0.00 C ATOM 1025 O ASP A 64 11.030 -6.337 -4.819 1.00 0.00 O ATOM 1026 CB ASP A 64 13.503 -4.968 -3.617 1.00 0.00 C ATOM 1027 CG ASP A 64 14.909 -5.432 -3.264 1.00 0.00 C ATOM 1028 OD1 ASP A 64 15.343 -6.513 -3.713 1.00 0.00 O ATOM 1029 OD2 ASP A 64 15.557 -4.786 -2.417 1.00 0.00 O ATOM 0 H ASP A 64 13.932 -3.280 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 64 13.530 -6.065 -5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.417 -3.909 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.794 -5.500 -2.982 1.00 0.00 H new ATOM 1034 N SER A 65 10.864 -4.121 -5.226 1.00 0.00 N ATOM 1035 CA SER A 65 9.421 -4.064 -5.032 1.00 0.00 C ATOM 1036 C SER A 65 8.720 -4.516 -6.322 1.00 0.00 C ATOM 1037 O SER A 65 9.270 -4.403 -7.421 1.00 0.00 O ATOM 1038 CB SER A 65 8.981 -2.651 -4.577 1.00 0.00 C ATOM 1039 OG SER A 65 7.749 -2.191 -5.106 1.00 0.00 O ATOM 0 H SER A 65 11.285 -3.229 -5.485 1.00 0.00 H new ATOM 0 HA SER A 65 9.127 -4.745 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.913 -2.644 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.761 -1.941 -4.852 1.00 0.00 H new ATOM 0 HG SER A 65 7.922 -1.556 -5.833 1.00 0.00 H new ATOM 1045 N LYS A 66 7.447 -4.905 -6.212 1.00 0.00 N ATOM 1046 CA LYS A 66 6.590 -5.170 -7.362 1.00 0.00 C ATOM 1047 C LYS A 66 5.385 -4.228 -7.426 1.00 0.00 C ATOM 1048 O LYS A 66 4.310 -4.608 -7.897 1.00 0.00 O ATOM 1049 CB LYS A 66 6.246 -6.669 -7.342 1.00 0.00 C ATOM 1050 CG LYS A 66 5.344 -7.139 -6.192 1.00 0.00 C ATOM 1051 CD LYS A 66 4.366 -8.209 -6.650 1.00 0.00 C ATOM 1052 CE LYS A 66 3.432 -8.653 -5.514 1.00 0.00 C ATOM 1053 NZ LYS A 66 2.112 -8.939 -6.101 1.00 0.00 N ATOM 0 H LYS A 66 6.982 -5.045 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 66 7.110 -4.952 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.761 -6.922 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.177 -7.234 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.960 -7.531 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.792 -6.289 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.772 -7.827 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.919 -9.071 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.829 -9.538 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.352 -7.872 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.589 -9.588 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.578 -8.052 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.235 -9.379 -7.035 1.00 0.00 H new ATOM 1067 N VAL A 67 5.575 -2.959 -7.052 1.00 0.00 N ATOM 1068 CA VAL A 67 4.604 -1.873 -7.223 1.00 0.00 C ATOM 1069 C VAL A 67 5.374 -0.555 -7.404 1.00 0.00 C ATOM 1070 O VAL A 67 6.552 -0.467 -7.043 1.00 0.00 O ATOM 1071 CB VAL A 67 3.575 -1.827 -6.047 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.058 -3.196 -5.590 1.00 0.00 C ATOM 1073 CG2 VAL A 67 4.037 -0.991 -4.844 1.00 0.00 C ATOM 0 H VAL A 67 6.439 -2.649 -6.607 1.00 0.00 H new ATOM 0 HA VAL A 67 4.004 -2.047 -8.116 1.00 0.00 H new ATOM 0 HB VAL A 67 2.726 -1.311 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.350 -3.063 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.561 -3.694 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.895 -3.806 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.268 -1.009 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.962 -1.407 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.209 0.038 -5.160 1.00 0.00 H new ATOM 1083 N PRO A 68 4.722 0.498 -7.931 1.00 0.00 N ATOM 1084 CA PRO A 68 5.345 1.800 -8.113 1.00 0.00 C ATOM 1085 C PRO A 68 5.680 2.431 -6.765 1.00 0.00 C ATOM 1086 O PRO A 68 4.828 2.544 -5.877 1.00 0.00 O ATOM 1087 CB PRO A 68 4.353 2.623 -8.934 1.00 0.00 C ATOM 1088 CG PRO A 68 3.007 1.942 -8.739 1.00 0.00 C ATOM 1089 CD PRO A 68 3.340 0.508 -8.387 1.00 0.00 C ATOM 0 HA PRO A 68 6.299 1.736 -8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.323 3.658 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.635 2.643 -9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.434 2.420 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.403 1.996 -9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.673 0.136 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.214 -0.142 -9.253 1.00 0.00 H new ATOM 1097 N LEU A 69 6.944 2.822 -6.627 1.00 0.00 N ATOM 1098 CA LEU A 69 7.507 3.394 -5.422 1.00 0.00 C ATOM 1099 C LEU A 69 7.443 4.905 -5.552 1.00 0.00 C ATOM 1100 O LEU A 69 8.262 5.516 -6.246 1.00 0.00 O ATOM 1101 CB LEU A 69 8.950 2.890 -5.242 1.00 0.00 C ATOM 1102 CG LEU A 69 9.178 1.387 -5.061 1.00 0.00 C ATOM 1103 CD1 LEU A 69 10.684 1.179 -4.875 1.00 0.00 C ATOM 1104 CD2 LEU A 69 8.403 0.867 -3.851 1.00 0.00 C ATOM 0 H LEU A 69 7.624 2.743 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 69 6.947 3.092 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.525 3.211 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.373 3.397 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 69 8.820 0.834 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.891 0.117 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.213 1.544 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.021 1.727 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.578 -0.203 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.739 1.385 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.338 1.047 -3.996 1.00 0.00 H new ATOM 1116 N ILE A 70 6.448 5.491 -4.899 1.00 0.00 N ATOM 1117 CA ILE A 70 6.107 6.902 -4.964 1.00 0.00 C ATOM 1118 C ILE A 70 6.697 7.629 -3.752 1.00 0.00 C ATOM 1119 O ILE A 70 7.146 6.987 -2.798 1.00 0.00 O ATOM 1120 CB ILE A 70 4.577 7.056 -5.091 1.00 0.00 C ATOM 1121 CG1 ILE A 70 3.800 6.786 -3.781 1.00 0.00 C ATOM 1122 CG2 ILE A 70 4.079 6.212 -6.277 1.00 0.00 C ATOM 1123 CD1 ILE A 70 2.297 7.094 -3.846 1.00 0.00 C ATOM 0 H ILE A 70 5.828 4.968 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 70 6.543 7.367 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 70 4.366 8.106 -5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.930 5.739 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.244 7.381 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.998 6.318 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.558 6.555 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.328 5.164 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.838 6.874 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.151 8.148 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.833 6.480 -4.617 1.00 0.00 H new ATOM 1135 N THR A 71 6.698 8.956 -3.756 1.00 0.00 N ATOM 1136 CA THR A 71 7.108 9.722 -2.591 1.00 0.00 C ATOM 1137 C THR A 71 5.965 9.792 -1.571 1.00 0.00 C ATOM 1138 O THR A 71 4.806 9.533 -1.895 1.00 0.00 O ATOM 1139 CB THR A 71 7.510 11.126 -3.050 1.00 0.00 C ATOM 1140 OG1 THR A 71 6.503 11.705 -3.857 1.00 0.00 O ATOM 1141 CG2 THR A 71 8.817 11.089 -3.841 1.00 0.00 C ATOM 0 H THR A 71 6.418 9.523 -4.556 1.00 0.00 H new ATOM 0 HA THR A 71 7.957 9.239 -2.107 1.00 0.00 H new ATOM 0 HB THR A 71 7.646 11.731 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.220 12.558 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.081 12.099 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.611 10.686 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.693 10.456 -4.720 1.00 0.00 H new ATOM 1149 N TYR A 72 6.264 10.229 -0.344 1.00 0.00 N ATOM 1150 CA TYR A 72 5.228 10.557 0.633 1.00 0.00 C ATOM 1151 C TYR A 72 4.255 11.597 0.084 1.00 0.00 C ATOM 1152 O TYR A 72 3.056 11.440 0.276 1.00 0.00 O ATOM 1153 CB TYR A 72 5.865 11.057 1.931 1.00 0.00 C ATOM 1154 CG TYR A 72 6.070 9.994 2.988 1.00 0.00 C ATOM 1155 CD1 TYR A 72 4.981 9.613 3.791 1.00 0.00 C ATOM 1156 CD2 TYR A 72 7.341 9.439 3.221 1.00 0.00 C ATOM 1157 CE1 TYR A 72 5.169 8.721 4.857 1.00 0.00 C ATOM 1158 CE2 TYR A 72 7.546 8.576 4.315 1.00 0.00 C ATOM 1159 CZ TYR A 72 6.452 8.203 5.128 1.00 0.00 C ATOM 1160 OH TYR A 72 6.621 7.374 6.191 1.00 0.00 O ATOM 0 H TYR A 72 7.217 10.363 -0.006 1.00 0.00 H new ATOM 0 HA TYR A 72 4.663 9.649 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.830 11.507 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.238 11.846 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.997 10.008 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.162 9.675 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.330 8.430 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.535 8.201 4.532 1.00 0.00 H new ATOM 0 HH TYR A 72 6.216 6.504 5.995 1.00 0.00 H new ATOM 1170 N SER A 73 4.736 12.630 -0.606 1.00 0.00 N ATOM 1171 CA SER A 73 3.855 13.642 -1.163 1.00 0.00 C ATOM 1172 C SER A 73 2.911 13.058 -2.208 1.00 0.00 C ATOM 1173 O SER A 73 1.726 13.395 -2.200 1.00 0.00 O ATOM 1174 CB SER A 73 4.684 14.779 -1.744 1.00 0.00 C ATOM 1175 OG SER A 73 5.627 14.300 -2.697 1.00 0.00 O ATOM 0 H SER A 73 5.728 12.783 -0.789 1.00 0.00 H new ATOM 0 HA SER A 73 3.230 14.033 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.025 15.507 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.208 15.297 -0.940 1.00 0.00 H new ATOM 0 HG SER A 73 6.143 15.053 -3.053 1.00 0.00 H new ATOM 1181 N GLU A 74 3.407 12.171 -3.081 1.00 0.00 N ATOM 1182 CA GLU A 74 2.563 11.534 -4.081 1.00 0.00 C ATOM 1183 C GLU A 74 1.415 10.812 -3.382 1.00 0.00 C ATOM 1184 O GLU A 74 0.295 10.919 -3.857 1.00 0.00 O ATOM 1185 CB GLU A 74 3.341 10.610 -5.036 1.00 0.00 C ATOM 1186 CG GLU A 74 3.841 11.343 -6.293 1.00 0.00 C ATOM 1187 CD GLU A 74 4.157 10.384 -7.448 1.00 0.00 C ATOM 1188 OE1 GLU A 74 3.213 9.896 -8.125 1.00 0.00 O ATOM 1189 OE2 GLU A 74 5.351 10.213 -7.782 1.00 0.00 O ATOM 0 H GLU A 74 4.385 11.884 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 74 2.155 12.313 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.192 10.181 -4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.700 9.780 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.085 12.059 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.736 11.914 -6.045 1.00 0.00 H new ATOM 1196 N PHE A 75 1.641 10.175 -2.227 1.00 0.00 N ATOM 1197 CA PHE A 75 0.556 9.589 -1.446 1.00 0.00 C ATOM 1198 C PHE A 75 -0.444 10.633 -0.946 1.00 0.00 C ATOM 1199 O PHE A 75 -1.642 10.373 -1.031 1.00 0.00 O ATOM 1200 CB PHE A 75 1.124 8.789 -0.277 1.00 0.00 C ATOM 1201 CG PHE A 75 0.136 8.359 0.790 1.00 0.00 C ATOM 1202 CD1 PHE A 75 -1.014 7.627 0.446 1.00 0.00 C ATOM 1203 CD2 PHE A 75 0.357 8.708 2.135 1.00 0.00 C ATOM 1204 CE1 PHE A 75 -1.886 7.171 1.446 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.542 8.285 3.129 1.00 0.00 C ATOM 1206 CZ PHE A 75 -1.646 7.490 2.789 1.00 0.00 C ATOM 0 H PHE A 75 2.567 10.055 -1.816 1.00 0.00 H new ATOM 0 HA PHE A 75 0.006 8.922 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.606 7.896 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.902 9.385 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.227 7.415 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.218 9.302 2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.745 6.572 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.382 8.573 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.309 7.125 3.560 1.00 0.00 H new ATOM 1216 N ILE A 76 0.006 11.783 -0.427 1.00 0.00 N ATOM 1217 CA ILE A 76 -0.893 12.805 0.117 1.00 0.00 C ATOM 1218 C ILE A 76 -1.914 13.226 -0.934 1.00 0.00 C ATOM 1219 O ILE A 76 -3.089 13.363 -0.593 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.126 14.032 0.675 1.00 0.00 C ATOM 1221 CG1 ILE A 76 0.899 13.665 1.770 1.00 0.00 C ATOM 1222 CG2 ILE A 76 -1.100 15.101 1.220 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.400 12.720 2.874 1.00 0.00 C ATOM 0 H ILE A 76 0.995 12.028 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.420 12.360 0.960 1.00 0.00 H new ATOM 0 HB ILE A 76 0.429 14.438 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.764 13.206 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.246 14.586 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.532 15.948 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.757 15.438 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.699 14.672 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.205 12.534 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.443 13.178 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.083 11.776 2.430 1.00 0.00 H new ATOM 1235 N ASP A 77 -1.471 13.396 -2.183 1.00 0.00 N ATOM 1236 CA ASP A 77 -2.276 13.752 -3.359 1.00 0.00 C ATOM 1237 C ASP A 77 -3.370 12.720 -3.602 1.00 0.00 C ATOM 1238 O ASP A 77 -4.477 13.046 -4.037 1.00 0.00 O ATOM 1239 CB ASP A 77 -1.312 13.817 -4.550 1.00 0.00 C ATOM 1240 CG ASP A 77 -1.819 14.257 -5.927 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -3.031 14.255 -6.243 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -0.935 14.601 -6.749 1.00 0.00 O ATOM 0 H ASP A 77 -0.484 13.283 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.776 14.709 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.501 14.491 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.876 12.825 -4.668 1.00 0.00 H new ATOM 1247 N LEU A 78 -3.081 11.455 -3.283 1.00 0.00 N ATOM 1248 CA LEU A 78 -4.053 10.394 -3.468 1.00 0.00 C ATOM 1249 C LEU A 78 -5.152 10.444 -2.402 1.00 0.00 C ATOM 1250 O LEU A 78 -6.221 9.878 -2.632 1.00 0.00 O ATOM 1251 CB LEU A 78 -3.402 8.997 -3.498 1.00 0.00 C ATOM 1252 CG LEU A 78 -2.212 8.845 -4.458 1.00 0.00 C ATOM 1253 CD1 LEU A 78 -1.768 7.389 -4.557 1.00 0.00 C ATOM 1254 CD2 LEU A 78 -2.453 9.389 -5.873 1.00 0.00 C ATOM 0 H LEU A 78 -2.187 11.150 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.508 10.567 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.068 8.749 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.163 8.266 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.428 9.459 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.925 7.312 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.468 7.032 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.594 6.781 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.559 9.238 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.292 8.862 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.679 10.454 -5.820 1.00 0.00 H new ATOM 1266 N LEU A 79 -4.908 11.083 -1.253 1.00 0.00 N ATOM 1267 CA LEU A 79 -5.885 11.283 -0.190 1.00 0.00 C ATOM 1268 C LEU A 79 -6.825 12.406 -0.630 1.00 0.00 C ATOM 1269 O LEU A 79 -7.807 12.149 -1.323 1.00 0.00 O ATOM 1270 CB LEU A 79 -5.200 11.521 1.174 1.00 0.00 C ATOM 1271 CG LEU A 79 -4.236 10.402 1.617 1.00 0.00 C ATOM 1272 CD1 LEU A 79 -3.659 10.720 3.000 1.00 0.00 C ATOM 1273 CD2 LEU A 79 -4.927 9.036 1.631 1.00 0.00 C ATOM 0 H LEU A 79 -3.996 11.485 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.482 10.385 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.648 12.460 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.970 11.640 1.936 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.424 10.354 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.980 9.923 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.116 11.664 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.471 10.799 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.217 8.272 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.767 9.060 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.289 8.801 0.630 1.00 0.00 H new ATOM 1285 N GLU A 80 -6.502 13.652 -0.281 1.00 0.00 N ATOM 1286 CA GLU A 80 -7.134 14.877 -0.766 1.00 0.00 C ATOM 1287 C GLU A 80 -8.671 14.882 -0.695 1.00 0.00 C ATOM 1288 O GLU A 80 -9.352 15.515 -1.510 1.00 0.00 O ATOM 1289 CB GLU A 80 -6.569 15.235 -2.155 1.00 0.00 C ATOM 1290 CG GLU A 80 -5.119 15.717 -2.073 1.00 0.00 C ATOM 1291 CD GLU A 80 -4.999 16.994 -1.237 1.00 0.00 C ATOM 1292 OE1 GLU A 80 -5.513 18.055 -1.645 1.00 0.00 O ATOM 1293 OE2 GLU A 80 -4.622 16.890 -0.046 1.00 0.00 O ATOM 0 H GLU A 80 -5.752 13.843 0.383 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.869 15.676 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.626 14.363 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.185 16.012 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.499 14.935 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.738 15.901 -3.078 1.00 0.00 H new ATOM 1300 N GLY A 81 -9.242 14.253 0.331 1.00 0.00 N ATOM 1301 CA GLY A 81 -10.679 14.208 0.585 1.00 0.00 C ATOM 1302 C GLY A 81 -11.176 12.790 0.841 1.00 0.00 C ATOM 1303 O GLY A 81 -12.380 12.548 0.807 1.00 0.00 O ATOM 0 H GLY A 81 -8.699 13.745 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.913 14.834 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.210 14.628 -0.269 1.00 0.00 H new ATOM 1307 N GLU A 82 -10.280 11.821 1.034 1.00 0.00 N ATOM 1308 CA GLU A 82 -10.576 10.403 0.908 1.00 0.00 C ATOM 1309 C GLU A 82 -9.920 9.668 2.078 1.00 0.00 C ATOM 1310 O GLU A 82 -9.143 8.732 1.918 1.00 0.00 O ATOM 1311 CB GLU A 82 -10.182 9.876 -0.483 1.00 0.00 C ATOM 1312 CG GLU A 82 -11.000 10.515 -1.629 1.00 0.00 C ATOM 1313 CD GLU A 82 -12.504 10.208 -1.546 1.00 0.00 C ATOM 1314 OE1 GLU A 82 -12.890 9.042 -1.295 1.00 0.00 O ATOM 1315 OE2 GLU A 82 -13.354 11.112 -1.725 1.00 0.00 O ATOM 0 H GLU A 82 -9.310 12.009 1.287 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.649 10.219 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.122 10.068 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.318 8.795 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.855 11.595 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.615 10.157 -2.584 1.00 0.00 H new ATOM 1322 N GLU A 83 -10.276 10.107 3.282 1.00 0.00 N ATOM 1323 CA GLU A 83 -9.596 9.844 4.548 1.00 0.00 C ATOM 1324 C GLU A 83 -9.912 8.444 5.125 1.00 0.00 C ATOM 1325 O GLU A 83 -10.050 8.282 6.343 1.00 0.00 O ATOM 1326 CB GLU A 83 -9.912 11.002 5.520 1.00 0.00 C ATOM 1327 CG GLU A 83 -11.418 11.272 5.641 1.00 0.00 C ATOM 1328 CD GLU A 83 -11.806 12.429 6.575 1.00 0.00 C ATOM 1329 OE1 GLU A 83 -11.433 13.590 6.292 1.00 0.00 O ATOM 1330 OE2 GLU A 83 -12.628 12.201 7.502 1.00 0.00 O ATOM 0 H GLU A 83 -11.101 10.694 3.408 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.519 9.814 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.508 10.766 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.410 11.907 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.814 11.481 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.906 10.363 5.994 1.00 0.00 H new ATOM 1337 N LYS A 84 -9.913 7.405 4.279 1.00 0.00 N ATOM 1338 CA LYS A 84 -10.297 6.050 4.672 1.00 0.00 C ATOM 1339 C LYS A 84 -9.451 4.943 4.027 1.00 0.00 C ATOM 1340 O LYS A 84 -9.952 3.837 3.812 1.00 0.00 O ATOM 1341 CB LYS A 84 -11.780 5.908 4.270 1.00 0.00 C ATOM 1342 CG LYS A 84 -11.961 5.713 2.750 1.00 0.00 C ATOM 1343 CD LYS A 84 -13.110 6.501 2.144 1.00 0.00 C ATOM 1344 CE LYS A 84 -12.822 7.999 2.202 1.00 0.00 C ATOM 1345 NZ LYS A 84 -13.725 8.714 1.281 1.00 0.00 N ATOM 0 H LYS A 84 -9.645 7.485 3.298 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.131 5.922 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.217 5.060 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.326 6.796 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.037 5.999 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.119 4.653 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.263 6.194 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.032 6.281 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.959 8.366 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.784 8.190 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.856 9.691 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.311 8.725 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.646 8.231 1.253 1.00 0.00 H new ATOM 1359 N PHE A 85 -8.148 5.157 3.840 1.00 0.00 N ATOM 1360 CA PHE A 85 -7.208 4.124 3.379 1.00 0.00 C ATOM 1361 C PHE A 85 -5.769 4.495 3.719 1.00 0.00 C ATOM 1362 O PHE A 85 -4.817 4.274 2.976 1.00 0.00 O ATOM 1363 CB PHE A 85 -7.405 3.835 1.882 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.977 4.916 0.899 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.806 6.019 0.615 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.734 4.804 0.246 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.396 6.980 -0.328 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -5.308 5.776 -0.673 1.00 0.00 C ATOM 1369 CZ PHE A 85 -6.155 6.852 -0.978 1.00 0.00 C ATOM 0 H PHE A 85 -7.707 6.062 4.005 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.424 3.199 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.858 2.924 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.462 3.627 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.755 6.127 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.098 3.957 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.037 7.819 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.338 5.696 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.854 7.583 -1.713 1.00 0.00 H new ATOM 1379 N ILE A 86 -5.627 5.059 4.903 1.00 0.00 N ATOM 1380 CA ILE A 86 -4.460 5.774 5.364 1.00 0.00 C ATOM 1381 C ILE A 86 -3.431 4.777 5.938 1.00 0.00 C ATOM 1382 O ILE A 86 -3.612 3.564 5.836 1.00 0.00 O ATOM 1383 CB ILE A 86 -4.966 6.836 6.364 1.00 0.00 C ATOM 1384 CG1 ILE A 86 -6.348 7.464 5.999 1.00 0.00 C ATOM 1385 CG2 ILE A 86 -3.967 7.992 6.425 1.00 0.00 C ATOM 1386 CD1 ILE A 86 -6.459 8.040 4.559 1.00 0.00 C ATOM 0 H ILE A 86 -6.366 5.027 5.605 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.926 6.290 4.566 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.074 6.307 7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.119 6.704 6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.564 8.262 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.322 8.743 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.997 7.618 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.869 8.441 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.457 8.452 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.717 8.827 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.281 7.245 3.835 1.00 0.00 H new ATOM 1398 N GLY A 87 -2.342 5.228 6.547 1.00 0.00 N ATOM 1399 CA GLY A 87 -1.713 4.516 7.641 1.00 0.00 C ATOM 1400 C GLY A 87 -0.666 5.327 8.333 1.00 0.00 C ATOM 1401 O GLY A 87 -0.665 6.556 8.100 1.00 0.00 O ATOM 0 H GLY A 87 -1.873 6.098 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.475 4.222 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.263 3.599 7.261 1.00 0.00 H new TER 1405 GLY A 87