USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.0437 (180deg=-0.26) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00349 USER MOD Single : A 8 SER OG : rot 21:sc= -0.511 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -12:sc= 0.979 USER MOD Single : A 21 TYR OH : rot 180:sc= -3.28 USER MOD Single : A 23 ASN : amide:sc= 0.0879 X(o=0.088,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.296 USER MOD Single : A 38 ASN : amide:sc= 0.278 K(o=0.28,f=-10!) USER MOD Single : A 40 ASN : amide:sc= -3.51 X(o=-3.5,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.73 K(o=-1.7,f=-6!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.405 12.966 6.010 1.00 0.00 N ATOM 2 CA ILE A 1 6.430 12.299 5.108 1.00 0.00 C ATOM 3 C ILE A 1 7.110 11.810 3.831 1.00 0.00 C ATOM 4 O ILE A 1 6.896 12.357 2.750 1.00 0.00 O ATOM 5 CB ILE A 1 5.270 13.251 4.741 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.228 12.524 3.889 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.796 14.483 4.016 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.347 11.585 4.684 1.00 0.00 C ATOM 0 H1 ILE A 1 6.894 13.464 6.766 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.035 12.252 6.429 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.970 13.649 5.466 1.00 0.00 H new ATOM 0 HA ILE A 1 6.026 11.441 5.646 1.00 0.00 H new ATOM 0 HB ILE A 1 4.789 13.579 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.601 13.262 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 1 4.738 11.958 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 1 4.964 15.141 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.497 15.013 4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 1 6.304 14.178 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.632 11.104 4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 1 3.964 10.825 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 1 2.809 12.149 5.446 1.00 0.00 H new ATOM 22 N ASP A 2 7.933 10.774 3.967 1.00 0.00 N ATOM 23 CA ASP A 2 8.647 10.211 2.827 1.00 0.00 C ATOM 24 C ASP A 2 8.108 8.827 2.464 1.00 0.00 C ATOM 25 O ASP A 2 8.320 8.342 1.353 1.00 0.00 O ATOM 26 CB ASP A 2 10.144 10.120 3.129 1.00 0.00 C ATOM 27 CG ASP A 2 10.691 11.400 3.732 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.029 12.322 2.962 1.00 0.00 O ATOM 29 OD2 ASP A 2 10.780 11.479 4.976 1.00 0.00 O ATOM 0 H ASP A 2 8.121 10.308 4.855 1.00 0.00 H new ATOM 0 HA ASP A 2 8.491 10.874 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.324 9.292 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.684 9.895 2.210 1.00 0.00 H new ATOM 34 N THR A 3 7.412 8.195 3.406 1.00 0.00 N ATOM 35 CA THR A 3 6.849 6.867 3.180 1.00 0.00 C ATOM 36 C THR A 3 5.958 6.851 1.941 1.00 0.00 C ATOM 37 O THR A 3 5.951 5.881 1.182 1.00 0.00 O ATOM 38 CB THR A 3 6.045 6.420 4.402 1.00 0.00 C ATOM 39 OG1 THR A 3 6.766 6.673 5.595 1.00 0.00 O ATOM 40 CG2 THR A 3 5.694 4.948 4.382 1.00 0.00 C ATOM 0 H THR A 3 7.225 8.581 4.332 1.00 0.00 H new ATOM 0 HA THR A 3 7.675 6.174 3.018 1.00 0.00 H new ATOM 0 HB THR A 3 5.121 6.998 4.368 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.235 6.382 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.124 4.698 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.096 4.729 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.609 4.356 4.357 1.00 0.00 H new ATOM 48 N CYS A 4 5.208 7.930 1.743 1.00 0.00 N ATOM 49 CA CYS A 4 4.313 8.038 0.595 1.00 0.00 C ATOM 50 C CYS A 4 5.095 8.123 -0.716 1.00 0.00 C ATOM 51 O CYS A 4 4.523 7.983 -1.796 1.00 0.00 O ATOM 52 CB CYS A 4 3.407 9.262 0.744 1.00 0.00 C ATOM 53 SG CYS A 4 1.796 8.905 1.519 1.00 0.00 S ATOM 0 H CYS A 4 5.202 8.741 2.361 1.00 0.00 H new ATOM 0 HA CYS A 4 3.699 7.138 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.925 10.014 1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.236 9.696 -0.241 1.00 0.00 H new ATOM 58 N ARG A 5 6.402 8.355 -0.618 1.00 0.00 N ATOM 59 CA ARG A 5 7.250 8.459 -1.802 1.00 0.00 C ATOM 60 C ARG A 5 7.811 7.096 -2.195 1.00 0.00 C ATOM 61 O ARG A 5 8.015 6.816 -3.376 1.00 0.00 O ATOM 62 CB ARG A 5 8.399 9.441 -1.556 1.00 0.00 C ATOM 63 CG ARG A 5 8.027 10.611 -0.660 1.00 0.00 C ATOM 64 CD ARG A 5 6.836 11.377 -1.209 1.00 0.00 C ATOM 65 NE ARG A 5 6.555 12.582 -0.431 1.00 0.00 N ATOM 66 CZ ARG A 5 7.223 13.726 -0.570 1.00 0.00 C ATOM 67 NH1 ARG A 5 8.209 13.825 -1.453 1.00 0.00 N ATOM 68 NH2 ARG A 5 6.902 14.775 0.177 1.00 0.00 N ATOM 0 H ARG A 5 6.895 8.474 0.267 1.00 0.00 H new ATOM 0 HA ARG A 5 6.634 8.830 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.234 8.903 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.747 9.826 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.796 10.245 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.880 11.283 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.028 11.652 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.958 10.731 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 5 5.804 12.545 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.459 13.022 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.716 14.704 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.145 14.705 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.413 15.652 0.072 1.00 0.00 H new ATOM 82 N LEU A 6 8.060 6.251 -1.199 1.00 0.00 N ATOM 83 CA LEU A 6 8.600 4.919 -1.446 1.00 0.00 C ATOM 84 C LEU A 6 7.477 3.897 -1.621 1.00 0.00 C ATOM 85 O LEU A 6 6.527 3.871 -0.839 1.00 0.00 O ATOM 86 CB LEU A 6 9.518 4.495 -0.297 1.00 0.00 C ATOM 87 CG LEU A 6 8.813 4.229 1.036 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.620 2.736 1.250 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.601 4.836 2.188 1.00 0.00 C ATOM 0 H LEU A 6 7.897 6.465 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 6 9.179 4.956 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.052 3.592 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.266 5.273 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 6 7.831 4.701 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.117 2.567 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.013 2.328 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.591 2.241 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.085 4.637 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.597 4.394 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.687 5.913 2.043 1.00 0.00 H new ATOM 101 N PRO A 7 7.567 3.040 -2.656 1.00 0.00 N ATOM 102 CA PRO A 7 6.554 2.020 -2.927 1.00 0.00 C ATOM 103 C PRO A 7 6.723 0.783 -2.050 1.00 0.00 C ATOM 104 O PRO A 7 7.772 0.583 -1.439 1.00 0.00 O ATOM 105 CB PRO A 7 6.806 1.674 -4.391 1.00 0.00 C ATOM 106 CG PRO A 7 8.270 1.877 -4.574 1.00 0.00 C ATOM 107 CD PRO A 7 8.663 3.000 -3.646 1.00 0.00 C ATOM 0 HA PRO A 7 5.545 2.375 -2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.517 0.646 -4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.230 2.317 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.821 0.967 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.501 2.129 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.625 2.808 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.755 3.946 -4.179 1.00 0.00 H new ATOM 115 N SER A 8 5.683 -0.044 -1.995 1.00 0.00 N ATOM 116 CA SER A 8 5.717 -1.263 -1.193 1.00 0.00 C ATOM 117 C SER A 8 5.758 -2.499 -2.086 1.00 0.00 C ATOM 118 O SER A 8 5.020 -2.592 -3.067 1.00 0.00 O ATOM 119 CB SER A 8 4.501 -1.324 -0.267 1.00 0.00 C ATOM 120 OG SER A 8 4.865 -1.045 1.073 1.00 0.00 O ATOM 0 H SER A 8 4.807 0.107 -2.496 1.00 0.00 H new ATOM 0 HA SER A 8 6.623 -1.246 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.750 -0.607 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.045 -2.313 -0.325 1.00 0.00 H new ATOM 0 HG SER A 8 5.712 -0.552 1.086 1.00 0.00 H new ATOM 126 N ASP A 9 6.620 -3.448 -1.737 1.00 0.00 N ATOM 127 CA ASP A 9 6.752 -4.681 -2.506 1.00 0.00 C ATOM 128 C ASP A 9 5.843 -5.769 -1.945 1.00 0.00 C ATOM 129 O ASP A 9 5.863 -6.053 -0.747 1.00 0.00 O ATOM 130 CB ASP A 9 8.206 -5.158 -2.504 1.00 0.00 C ATOM 131 CG ASP A 9 8.967 -4.699 -3.732 1.00 0.00 C ATOM 132 OD1 ASP A 9 8.413 -4.803 -4.847 1.00 0.00 O ATOM 133 OD2 ASP A 9 10.116 -4.236 -3.580 1.00 0.00 O ATOM 0 H ASP A 9 7.237 -3.388 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 9 6.450 -4.474 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.706 -4.786 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.228 -6.247 -2.452 1.00 0.00 H new ATOM 138 N ARG A 10 5.042 -6.369 -2.818 1.00 0.00 N ATOM 139 CA ARG A 10 4.117 -7.424 -2.413 1.00 0.00 C ATOM 140 C ARG A 10 4.835 -8.752 -2.176 1.00 0.00 C ATOM 141 O ARG A 10 4.215 -9.727 -1.751 1.00 0.00 O ATOM 142 CB ARG A 10 3.035 -7.616 -3.476 1.00 0.00 C ATOM 143 CG ARG A 10 3.556 -7.551 -4.905 1.00 0.00 C ATOM 144 CD ARG A 10 2.932 -8.624 -5.781 1.00 0.00 C ATOM 145 NE ARG A 10 1.795 -8.113 -6.548 1.00 0.00 N ATOM 146 CZ ARG A 10 1.820 -7.911 -7.870 1.00 0.00 C ATOM 147 NH1 ARG A 10 2.921 -8.166 -8.570 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.747 -7.451 -8.498 1.00 0.00 N ATOM 0 H ARG A 10 5.014 -6.143 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 10 3.662 -7.111 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.552 -8.581 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.270 -6.851 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.342 -6.568 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.640 -7.668 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.684 -9.016 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.604 -9.456 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 10 0.934 -7.899 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.754 -8.518 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.932 -8.009 -9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.104 -7.249 -7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.772 -7.299 -9.506 1.00 0.00 H new ATOM 162 N GLY A 11 6.137 -8.789 -2.447 1.00 0.00 N ATOM 163 CA GLY A 11 6.905 -10.006 -2.258 1.00 0.00 C ATOM 164 C GLY A 11 6.270 -11.217 -2.919 1.00 0.00 C ATOM 165 O GLY A 11 5.152 -11.146 -3.428 1.00 0.00 O ATOM 0 H GLY A 11 6.674 -7.995 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.907 -9.863 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.015 -10.198 -1.191 1.00 0.00 H new ATOM 169 N ARG A 12 6.987 -12.334 -2.909 1.00 0.00 N ATOM 170 CA ARG A 12 6.489 -13.569 -3.504 1.00 0.00 C ATOM 171 C ARG A 12 6.173 -14.612 -2.431 1.00 0.00 C ATOM 172 O ARG A 12 5.567 -15.643 -2.720 1.00 0.00 O ATOM 173 CB ARG A 12 7.514 -14.132 -4.491 1.00 0.00 C ATOM 174 CG ARG A 12 6.891 -14.934 -5.621 1.00 0.00 C ATOM 175 CD ARG A 12 7.511 -16.318 -5.736 1.00 0.00 C ATOM 176 NE ARG A 12 7.472 -16.823 -7.106 1.00 0.00 N ATOM 177 CZ ARG A 12 7.614 -18.108 -7.427 1.00 0.00 C ATOM 178 NH1 ARG A 12 7.804 -19.018 -6.480 1.00 0.00 N ATOM 179 NH2 ARG A 12 7.565 -18.482 -8.697 1.00 0.00 N ATOM 0 H ARG A 12 7.916 -12.411 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 12 5.567 -13.336 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.089 -13.308 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.217 -14.766 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.818 -15.029 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.019 -14.398 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.545 -16.282 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.981 -17.008 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 12 7.328 -16.153 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.842 -18.735 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.912 -20.001 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.419 -17.786 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.674 -19.466 -8.943 1.00 0.00 H new ATOM 193 N CYS A 13 6.600 -14.340 -1.196 1.00 0.00 N ATOM 194 CA CYS A 13 6.380 -15.257 -0.078 1.00 0.00 C ATOM 195 C CYS A 13 4.978 -15.877 -0.115 1.00 0.00 C ATOM 196 O CYS A 13 4.799 -16.979 -0.634 1.00 0.00 O ATOM 197 CB CYS A 13 6.622 -14.545 1.263 1.00 0.00 C ATOM 198 SG CYS A 13 6.057 -12.809 1.330 1.00 0.00 S ATOM 0 H CYS A 13 7.102 -13.488 -0.945 1.00 0.00 H new ATOM 0 HA CYS A 13 7.099 -16.070 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.118 -15.106 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.689 -14.573 1.484 1.00 0.00 H new ATOM 203 N LYS A 14 3.989 -15.177 0.435 1.00 0.00 N ATOM 204 CA LYS A 14 2.621 -15.678 0.453 1.00 0.00 C ATOM 205 C LYS A 14 1.724 -14.869 -0.480 1.00 0.00 C ATOM 206 O LYS A 14 0.670 -14.380 -0.074 1.00 0.00 O ATOM 207 CB LYS A 14 2.064 -15.640 1.879 1.00 0.00 C ATOM 208 CG LYS A 14 2.876 -16.456 2.871 1.00 0.00 C ATOM 209 CD LYS A 14 2.460 -17.919 2.860 1.00 0.00 C ATOM 210 CE LYS A 14 3.595 -18.823 3.311 1.00 0.00 C ATOM 211 NZ LYS A 14 3.916 -18.635 4.752 1.00 0.00 N ATOM 0 H LYS A 14 4.111 -14.264 0.873 1.00 0.00 H new ATOM 0 HA LYS A 14 2.635 -16.709 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.026 -14.605 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.039 -16.010 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.936 -16.376 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.746 -16.047 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.600 -18.059 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.145 -18.202 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.323 -19.863 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.482 -18.618 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.695 -19.270 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.200 -17.649 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.077 -18.855 5.326 1.00 0.00 H new ATOM 225 N ALA A 15 2.146 -14.733 -1.734 1.00 0.00 N ATOM 226 CA ALA A 15 1.373 -13.985 -2.719 1.00 0.00 C ATOM 227 C ALA A 15 -0.020 -14.578 -2.889 1.00 0.00 C ATOM 228 O ALA A 15 -0.217 -15.505 -3.674 1.00 0.00 O ATOM 229 CB ALA A 15 2.100 -13.957 -4.052 1.00 0.00 C ATOM 0 H ALA A 15 3.016 -15.129 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 15 1.264 -12.963 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.510 -13.395 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.072 -13.479 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.241 -14.976 -4.411 1.00 0.00 H new ATOM 235 N SER A 16 -0.983 -14.040 -2.148 1.00 0.00 N ATOM 236 CA SER A 16 -2.358 -14.526 -2.223 1.00 0.00 C ATOM 237 C SER A 16 -3.346 -13.545 -1.586 1.00 0.00 C ATOM 238 O SER A 16 -4.438 -13.939 -1.177 1.00 0.00 O ATOM 239 CB SER A 16 -2.473 -15.890 -1.541 1.00 0.00 C ATOM 240 OG SER A 16 -1.717 -16.871 -2.232 1.00 0.00 O ATOM 0 H SER A 16 -0.839 -13.272 -1.492 1.00 0.00 H new ATOM 0 HA SER A 16 -2.614 -14.620 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.124 -15.816 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.519 -16.193 -1.502 1.00 0.00 H new ATOM 0 HG SER A 16 -1.437 -16.516 -3.101 1.00 0.00 H new ATOM 246 N PHE A 17 -2.967 -12.272 -1.507 1.00 0.00 N ATOM 247 CA PHE A 17 -3.838 -11.257 -0.925 1.00 0.00 C ATOM 248 C PHE A 17 -3.798 -9.974 -1.748 1.00 0.00 C ATOM 249 O PHE A 17 -2.932 -9.808 -2.603 1.00 0.00 O ATOM 250 CB PHE A 17 -3.430 -10.965 0.520 1.00 0.00 C ATOM 251 CG PHE A 17 -3.781 -12.067 1.478 1.00 0.00 C ATOM 252 CD1 PHE A 17 -2.896 -13.108 1.710 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.995 -12.064 2.145 1.00 0.00 C ATOM 254 CE1 PHE A 17 -3.216 -14.125 2.590 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.320 -13.077 3.026 1.00 0.00 C ATOM 256 CZ PHE A 17 -4.430 -14.109 3.249 1.00 0.00 C ATOM 0 H PHE A 17 -2.068 -11.921 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.858 -11.642 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.355 -10.791 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.913 -10.044 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.946 -13.125 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.696 -11.260 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.518 -14.931 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.270 -13.062 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.683 -14.902 3.937 1.00 0.00 H new ATOM 266 N GLU A 18 -4.738 -9.072 -1.486 1.00 0.00 N ATOM 267 CA GLU A 18 -4.805 -7.804 -2.207 1.00 0.00 C ATOM 268 C GLU A 18 -4.757 -6.629 -1.234 1.00 0.00 C ATOM 269 O GLU A 18 -5.401 -6.656 -0.186 1.00 0.00 O ATOM 270 CB GLU A 18 -6.083 -7.735 -3.046 1.00 0.00 C ATOM 271 CG GLU A 18 -7.355 -7.905 -2.231 1.00 0.00 C ATOM 272 CD GLU A 18 -7.835 -9.343 -2.195 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.087 -10.208 -1.692 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.961 -9.604 -2.669 1.00 0.00 O ATOM 0 H GLU A 18 -5.464 -9.194 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.942 -7.743 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.118 -6.776 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.047 -8.509 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.179 -7.559 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.139 -7.274 -2.651 1.00 0.00 H new ATOM 281 N ARG A 19 -3.988 -5.599 -1.582 1.00 0.00 N ATOM 282 CA ARG A 19 -3.862 -4.424 -0.722 1.00 0.00 C ATOM 283 C ARG A 19 -3.678 -3.150 -1.542 1.00 0.00 C ATOM 284 O ARG A 19 -3.553 -3.197 -2.766 1.00 0.00 O ATOM 285 CB ARG A 19 -2.684 -4.592 0.241 1.00 0.00 C ATOM 286 CG ARG A 19 -2.583 -5.980 0.853 1.00 0.00 C ATOM 287 CD ARG A 19 -3.677 -6.222 1.881 1.00 0.00 C ATOM 288 NE ARG A 19 -3.150 -6.249 3.243 1.00 0.00 N ATOM 289 CZ ARG A 19 -3.819 -6.735 4.287 1.00 0.00 C ATOM 290 NH1 ARG A 19 -5.039 -7.232 4.129 1.00 0.00 N ATOM 291 NH2 ARG A 19 -3.266 -6.721 5.492 1.00 0.00 N ATOM 0 H ARG A 19 -3.447 -5.554 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.786 -4.333 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.758 -4.372 -0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.774 -3.858 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.651 -6.731 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.608 -6.100 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.431 -5.439 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.174 -7.168 1.666 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.215 -5.874 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.469 -7.243 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.547 -7.603 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.329 -6.338 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.778 -7.093 6.292 1.00 0.00 H new ATOM 305 N TRP A 20 -3.657 -2.012 -0.851 1.00 0.00 N ATOM 306 CA TRP A 20 -3.483 -0.718 -1.502 1.00 0.00 C ATOM 307 C TRP A 20 -2.114 -0.130 -1.175 1.00 0.00 C ATOM 308 O TRP A 20 -1.549 -0.400 -0.116 1.00 0.00 O ATOM 309 CB TRP A 20 -4.586 0.248 -1.064 1.00 0.00 C ATOM 310 CG TRP A 20 -5.963 -0.222 -1.416 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.756 -1.061 -0.686 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.713 0.120 -2.587 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.951 -1.261 -1.330 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.949 -0.548 -2.499 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.461 0.925 -3.701 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.928 -0.435 -3.480 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.435 1.037 -4.675 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.656 0.361 -4.559 1.00 0.00 C ATOM 0 H TRP A 20 -3.759 -1.961 0.163 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.548 -0.866 -2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.524 0.393 0.015 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.413 1.220 -1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.482 -1.503 0.261 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.716 -1.845 -0.993 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.522 1.450 -3.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.870 -0.957 -3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.251 1.656 -5.540 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.397 0.470 -5.337 1.00 0.00 H new ATOM 329 N TYR A 21 -1.580 0.667 -2.095 1.00 0.00 N ATOM 330 CA TYR A 21 -0.268 1.284 -1.909 1.00 0.00 C ATOM 331 C TYR A 21 -0.250 2.692 -2.493 1.00 0.00 C ATOM 332 O TYR A 21 -0.861 2.951 -3.531 1.00 0.00 O ATOM 333 CB TYR A 21 0.824 0.431 -2.569 1.00 0.00 C ATOM 334 CG TYR A 21 0.384 -0.183 -3.877 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.643 -1.113 -3.907 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.972 0.185 -5.081 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.081 -1.653 -5.091 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.544 -0.363 -6.277 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.488 -1.279 -6.276 1.00 0.00 C ATOM 340 OH TYR A 21 -0.945 -1.805 -7.463 1.00 0.00 O ATOM 0 H TYR A 21 -2.034 0.902 -2.978 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.070 1.346 -0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.705 1.049 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.121 -0.363 -1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.108 -1.419 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.774 0.908 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.889 -2.370 -5.093 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.015 -0.076 -7.206 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.421 -1.439 -8.206 1.00 0.00 H new ATOM 350 N PHE A 22 0.450 3.599 -1.824 1.00 0.00 N ATOM 351 CA PHE A 22 0.542 4.980 -2.283 1.00 0.00 C ATOM 352 C PHE A 22 1.417 5.083 -3.529 1.00 0.00 C ATOM 353 O PHE A 22 2.581 4.682 -3.517 1.00 0.00 O ATOM 354 CB PHE A 22 1.105 5.874 -1.177 1.00 0.00 C ATOM 355 CG PHE A 22 0.508 7.251 -1.160 1.00 0.00 C ATOM 356 CD1 PHE A 22 -0.790 7.452 -0.718 1.00 0.00 C ATOM 357 CD2 PHE A 22 1.244 8.343 -1.589 1.00 0.00 C ATOM 358 CE1 PHE A 22 -1.341 8.719 -0.703 1.00 0.00 C ATOM 359 CE2 PHE A 22 0.697 9.612 -1.578 1.00 0.00 C ATOM 360 CZ PHE A 22 -0.597 9.800 -1.134 1.00 0.00 C ATOM 0 H PHE A 22 0.962 3.404 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.463 5.318 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.930 5.399 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.185 5.956 -1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.377 6.610 -0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.257 8.201 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.353 8.864 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.281 10.455 -1.916 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.027 10.791 -1.124 1.00 0.00 H new ATOM 370 N ASN A 23 0.848 5.622 -4.602 1.00 0.00 N ATOM 371 CA ASN A 23 1.574 5.777 -5.857 1.00 0.00 C ATOM 372 C ASN A 23 1.709 7.251 -6.230 1.00 0.00 C ATOM 373 O ASN A 23 1.021 7.742 -7.125 1.00 0.00 O ATOM 374 CB ASN A 23 0.864 5.017 -6.980 1.00 0.00 C ATOM 375 CG ASN A 23 1.788 4.710 -8.142 1.00 0.00 C ATOM 376 OD1 ASN A 23 2.380 3.633 -8.212 1.00 0.00 O ATOM 377 ND2 ASN A 23 1.915 5.659 -9.063 1.00 0.00 N ATOM 0 H ASN A 23 -0.114 5.959 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 23 2.573 5.362 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.459 4.085 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.019 5.606 -7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.522 5.510 -9.869 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.405 6.537 -8.964 1.00 0.00 H new ATOM 384 N GLY A 24 2.600 7.950 -5.534 1.00 0.00 N ATOM 385 CA GLY A 24 2.812 9.359 -5.803 1.00 0.00 C ATOM 386 C GLY A 24 1.745 10.235 -5.179 1.00 0.00 C ATOM 387 O GLY A 24 1.940 10.786 -4.096 1.00 0.00 O ATOM 0 H GLY A 24 3.179 7.565 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.789 9.655 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.827 9.522 -6.881 1.00 0.00 H new ATOM 391 N ARG A 25 0.616 10.366 -5.866 1.00 0.00 N ATOM 392 CA ARG A 25 -0.488 11.185 -5.374 1.00 0.00 C ATOM 393 C ARG A 25 -1.742 10.344 -5.152 1.00 0.00 C ATOM 394 O ARG A 25 -2.537 10.626 -4.255 1.00 0.00 O ATOM 395 CB ARG A 25 -0.787 12.315 -6.361 1.00 0.00 C ATOM 396 CG ARG A 25 -1.103 11.829 -7.765 1.00 0.00 C ATOM 397 CD ARG A 25 0.164 11.570 -8.565 1.00 0.00 C ATOM 398 NE ARG A 25 0.085 10.327 -9.328 1.00 0.00 N ATOM 399 CZ ARG A 25 -0.574 10.204 -10.479 1.00 0.00 C ATOM 400 NH1 ARG A 25 -1.209 11.245 -11.003 1.00 0.00 N ATOM 401 NH2 ARG A 25 -0.597 9.037 -11.108 1.00 0.00 N ATOM 0 H ARG A 25 0.440 9.917 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.189 11.612 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.630 12.897 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.071 12.986 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.693 10.914 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.713 12.571 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.339 12.403 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.017 11.526 -7.888 1.00 0.00 H new ATOM 0 HE ARG A 25 0.562 9.505 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.194 12.145 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.712 11.145 -11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.110 8.234 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.102 8.943 -11.989 1.00 0.00 H new ATOM 415 N THR A 26 -1.916 9.312 -5.972 1.00 0.00 N ATOM 416 CA THR A 26 -3.077 8.436 -5.860 1.00 0.00 C ATOM 417 C THR A 26 -2.671 7.050 -5.370 1.00 0.00 C ATOM 418 O THR A 26 -1.487 6.717 -5.329 1.00 0.00 O ATOM 419 CB THR A 26 -3.790 8.323 -7.209 1.00 0.00 C ATOM 420 OG1 THR A 26 -3.502 9.446 -8.024 1.00 0.00 O ATOM 421 CG2 THR A 26 -5.294 8.220 -7.084 1.00 0.00 C ATOM 0 H THR A 26 -1.269 9.062 -6.720 1.00 0.00 H new ATOM 0 HA THR A 26 -3.759 8.873 -5.131 1.00 0.00 H new ATOM 0 HB THR A 26 -3.415 7.403 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.965 9.355 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.737 8.143 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.551 7.335 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.679 9.108 -6.583 1.00 0.00 H new ATOM 429 N CYS A 27 -3.663 6.246 -5.000 1.00 0.00 N ATOM 430 CA CYS A 27 -3.409 4.895 -4.514 1.00 0.00 C ATOM 431 C CYS A 27 -3.407 3.894 -5.665 1.00 0.00 C ATOM 432 O CYS A 27 -3.682 4.247 -6.811 1.00 0.00 O ATOM 433 CB CYS A 27 -4.453 4.500 -3.468 1.00 0.00 C ATOM 434 SG CYS A 27 -3.747 3.749 -1.964 1.00 0.00 S ATOM 0 H CYS A 27 -4.649 6.507 -5.028 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.424 4.881 -4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.023 5.385 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.155 3.798 -3.917 1.00 0.00 H new ATOM 439 N ALA A 28 -3.082 2.645 -5.350 1.00 0.00 N ATOM 440 CA ALA A 28 -3.026 1.589 -6.353 1.00 0.00 C ATOM 441 C ALA A 28 -3.515 0.256 -5.783 1.00 0.00 C ATOM 442 O ALA A 28 -3.843 0.164 -4.600 1.00 0.00 O ATOM 443 CB ALA A 28 -1.621 1.469 -6.908 1.00 0.00 C ATOM 0 H ALA A 28 -2.853 2.339 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.696 1.855 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.592 0.677 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.329 2.413 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.930 1.230 -6.100 1.00 0.00 H new ATOM 449 N LYS A 29 -3.577 -0.771 -6.634 1.00 0.00 N ATOM 450 CA LYS A 29 -4.050 -2.089 -6.210 1.00 0.00 C ATOM 451 C LYS A 29 -3.189 -3.203 -6.798 1.00 0.00 C ATOM 452 O LYS A 29 -2.853 -3.189 -7.982 1.00 0.00 O ATOM 453 CB LYS A 29 -5.511 -2.284 -6.624 1.00 0.00 C ATOM 454 CG LYS A 29 -6.496 -2.095 -5.482 1.00 0.00 C ATOM 455 CD LYS A 29 -6.980 -3.430 -4.935 1.00 0.00 C ATOM 456 CE LYS A 29 -8.467 -3.398 -4.615 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.198 -4.522 -5.262 1.00 0.00 N ATOM 0 H LYS A 29 -3.307 -0.715 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.973 -2.139 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.751 -1.580 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.633 -3.286 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.023 -1.523 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.349 -1.512 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.781 -4.216 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.419 -3.680 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.607 -3.447 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.890 -2.450 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.208 -4.465 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.086 -4.461 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.812 -5.427 -4.925 1.00 0.00 H new ATOM 471 N PHE A 30 -2.830 -4.165 -5.952 1.00 0.00 N ATOM 472 CA PHE A 30 -1.998 -5.286 -6.372 1.00 0.00 C ATOM 473 C PHE A 30 -2.142 -6.467 -5.420 1.00 0.00 C ATOM 474 O PHE A 30 -2.828 -6.375 -4.402 1.00 0.00 O ATOM 475 CB PHE A 30 -0.527 -4.855 -6.473 1.00 0.00 C ATOM 476 CG PHE A 30 0.125 -4.480 -5.162 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.608 -4.376 -3.986 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.489 -4.230 -5.113 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.006 -4.030 -2.796 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.106 -3.883 -3.926 1.00 0.00 C ATOM 481 CZ PHE A 30 1.364 -3.784 -2.767 1.00 0.00 C ATOM 0 H PHE A 30 -3.104 -4.189 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.338 -5.605 -7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.043 -5.667 -6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.460 -4.004 -7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.671 -4.568 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.077 -4.308 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.577 -3.952 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.168 -3.689 -3.906 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.845 -3.514 -1.838 1.00 0.00 H new ATOM 491 N ILE A 31 -1.491 -7.577 -5.753 1.00 0.00 N ATOM 492 CA ILE A 31 -1.549 -8.763 -4.922 1.00 0.00 C ATOM 493 C ILE A 31 -0.428 -8.727 -3.896 1.00 0.00 C ATOM 494 O ILE A 31 0.736 -8.893 -4.241 1.00 0.00 O ATOM 495 CB ILE A 31 -1.429 -10.046 -5.768 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.513 -10.075 -6.846 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.521 -11.282 -4.883 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.917 -10.159 -6.288 1.00 0.00 C ATOM 0 H ILE A 31 -0.919 -7.675 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.515 -8.774 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.455 -10.048 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.428 -9.179 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.339 -10.928 -7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.434 -12.177 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.714 -11.266 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.481 -11.289 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.634 -10.176 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.020 -11.069 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.110 -9.293 -5.655 1.00 0.00 H new ATOM 510 N TYR A 32 -0.782 -8.489 -2.641 1.00 0.00 N ATOM 511 CA TYR A 32 0.211 -8.409 -1.581 1.00 0.00 C ATOM 512 C TYR A 32 0.475 -9.773 -0.961 1.00 0.00 C ATOM 513 O TYR A 32 -0.421 -10.401 -0.397 1.00 0.00 O ATOM 514 CB TYR A 32 -0.246 -7.429 -0.499 1.00 0.00 C ATOM 515 CG TYR A 32 0.873 -6.963 0.406 1.00 0.00 C ATOM 516 CD1 TYR A 32 1.862 -6.109 -0.064 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.939 -7.379 1.730 1.00 0.00 C ATOM 518 CE1 TYR A 32 2.886 -5.682 0.760 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.959 -6.955 2.560 1.00 0.00 C ATOM 520 CZ TYR A 32 2.930 -6.107 2.071 1.00 0.00 C ATOM 521 OH TYR A 32 3.948 -5.683 2.894 1.00 0.00 O ATOM 0 H TYR A 32 -1.744 -8.349 -2.334 1.00 0.00 H new ATOM 0 HA TYR A 32 1.140 -8.051 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.702 -6.561 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.018 -7.903 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.830 -5.773 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.181 -8.044 2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.648 -5.019 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.996 -7.286 3.587 1.00 0.00 H new ATOM 0 HH TYR A 32 3.832 -6.073 3.786 1.00 0.00 H new ATOM 531 N GLY A 33 1.720 -10.222 -1.071 1.00 0.00 N ATOM 532 CA GLY A 33 2.099 -11.504 -0.512 1.00 0.00 C ATOM 533 C GLY A 33 2.421 -11.405 0.965 1.00 0.00 C ATOM 534 O GLY A 33 2.216 -12.357 1.719 1.00 0.00 O ATOM 0 H GLY A 33 2.474 -9.719 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.289 -12.218 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.966 -11.891 -1.047 1.00 0.00 H new ATOM 538 N GLY A 34 2.922 -10.244 1.384 1.00 0.00 N ATOM 539 CA GLY A 34 3.255 -10.043 2.781 1.00 0.00 C ATOM 540 C GLY A 34 4.655 -9.495 2.984 1.00 0.00 C ATOM 541 O GLY A 34 4.910 -8.778 3.952 1.00 0.00 O ATOM 0 H GLY A 34 3.102 -9.442 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.534 -9.357 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.161 -10.991 3.311 1.00 0.00 H new ATOM 545 N CYS A 35 5.568 -9.832 2.077 1.00 0.00 N ATOM 546 CA CYS A 35 6.947 -9.364 2.180 1.00 0.00 C ATOM 547 C CYS A 35 7.277 -8.352 1.082 1.00 0.00 C ATOM 548 O CYS A 35 6.741 -8.415 -0.028 1.00 0.00 O ATOM 549 CB CYS A 35 7.928 -10.544 2.142 1.00 0.00 C ATOM 550 SG CYS A 35 7.674 -11.717 0.768 1.00 0.00 S ATOM 0 H CYS A 35 5.380 -10.423 1.268 1.00 0.00 H new ATOM 0 HA CYS A 35 7.053 -8.859 3.140 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.943 -10.151 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.853 -11.089 3.083 1.00 0.00 H new ATOM 555 N GLY A 36 8.161 -7.414 1.405 1.00 0.00 N ATOM 556 CA GLY A 36 8.550 -6.397 0.446 1.00 0.00 C ATOM 557 C GLY A 36 8.038 -5.019 0.820 1.00 0.00 C ATOM 558 O GLY A 36 8.636 -4.007 0.454 1.00 0.00 O ATOM 0 H GLY A 36 8.616 -7.340 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.637 -6.369 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.170 -6.667 -0.539 1.00 0.00 H new ATOM 562 N GLY A 37 6.929 -4.980 1.552 1.00 0.00 N ATOM 563 CA GLY A 37 6.356 -3.712 1.962 1.00 0.00 C ATOM 564 C GLY A 37 7.035 -3.136 3.188 1.00 0.00 C ATOM 565 O GLY A 37 8.059 -3.649 3.640 1.00 0.00 O ATOM 0 H GLY A 37 6.417 -5.804 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.433 -3.000 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.294 -3.847 2.169 1.00 0.00 H new ATOM 569 N ASN A 38 6.463 -2.064 3.726 1.00 0.00 N ATOM 570 CA ASN A 38 7.015 -1.410 4.907 1.00 0.00 C ATOM 571 C ASN A 38 6.040 -0.370 5.452 1.00 0.00 C ATOM 572 O ASN A 38 5.402 -0.584 6.483 1.00 0.00 O ATOM 573 CB ASN A 38 8.360 -0.751 4.578 1.00 0.00 C ATOM 574 CG ASN A 38 8.422 -0.221 3.156 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.438 0.307 2.635 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.580 -0.362 2.520 1.00 0.00 N ATOM 0 H ASN A 38 5.615 -1.629 3.362 1.00 0.00 H new ATOM 0 HA ASN A 38 7.176 -2.170 5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.538 0.068 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.161 -1.476 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.680 -0.027 1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.369 -0.805 2.990 1.00 0.00 H new ATOM 583 N GLY A 39 5.927 0.752 4.750 1.00 0.00 N ATOM 584 CA GLY A 39 5.023 1.808 5.172 1.00 0.00 C ATOM 585 C GLY A 39 4.156 2.324 4.036 1.00 0.00 C ATOM 586 O GLY A 39 3.313 3.199 4.241 1.00 0.00 O ATOM 0 H GLY A 39 6.446 0.950 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.383 1.435 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.602 2.633 5.586 1.00 0.00 H new ATOM 590 N ASN A 40 4.361 1.783 2.836 1.00 0.00 N ATOM 591 CA ASN A 40 3.592 2.195 1.667 1.00 0.00 C ATOM 592 C ASN A 40 2.369 1.302 1.473 1.00 0.00 C ATOM 593 O ASN A 40 1.391 1.703 0.841 1.00 0.00 O ATOM 594 CB ASN A 40 4.477 2.147 0.419 1.00 0.00 C ATOM 595 CG ASN A 40 3.837 2.822 -0.777 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.261 2.163 -1.641 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.940 4.145 -0.835 1.00 0.00 N ATOM 0 H ASN A 40 5.054 1.058 2.650 1.00 0.00 H new ATOM 0 HA ASN A 40 3.246 3.216 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.430 2.629 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.694 1.108 0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.532 4.654 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.427 4.652 -0.096 1.00 0.00 H new ATOM 604 N LYS A 41 2.432 0.089 2.017 1.00 0.00 N ATOM 605 CA LYS A 41 1.330 -0.861 1.902 1.00 0.00 C ATOM 606 C LYS A 41 0.150 -0.444 2.774 1.00 0.00 C ATOM 607 O LYS A 41 0.325 0.202 3.807 1.00 0.00 O ATOM 608 CB LYS A 41 1.798 -2.264 2.297 1.00 0.00 C ATOM 609 CG LYS A 41 0.715 -3.324 2.177 1.00 0.00 C ATOM 610 CD LYS A 41 0.010 -3.554 3.504 1.00 0.00 C ATOM 611 CE LYS A 41 0.965 -4.095 4.555 1.00 0.00 C ATOM 612 NZ LYS A 41 0.240 -4.731 5.690 1.00 0.00 N ATOM 0 H LYS A 41 3.235 -0.259 2.542 1.00 0.00 H new ATOM 0 HA LYS A 41 1.001 -0.870 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.642 -2.547 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.160 -2.241 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.013 -3.018 1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.156 -4.259 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.425 -2.618 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.813 -4.255 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.633 -4.824 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.588 -3.284 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.927 -5.087 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.379 -4.029 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.335 -5.522 5.335 1.00 0.00 H new ATOM 626 N PHE A 42 -1.051 -0.822 2.349 1.00 0.00 N ATOM 627 CA PHE A 42 -2.267 -0.494 3.084 1.00 0.00 C ATOM 628 C PHE A 42 -3.329 -1.575 2.877 1.00 0.00 C ATOM 629 O PHE A 42 -3.818 -1.764 1.763 1.00 0.00 O ATOM 630 CB PHE A 42 -2.810 0.863 2.634 1.00 0.00 C ATOM 631 CG PHE A 42 -1.842 1.993 2.835 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.379 2.308 4.102 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.394 2.739 1.757 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.487 3.347 4.290 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.502 3.780 1.939 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.047 4.083 3.207 1.00 0.00 C ATOM 0 H PHE A 42 -1.208 -1.358 1.496 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.022 -0.444 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.076 0.807 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.727 1.079 3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.719 1.735 4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.745 2.505 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.134 3.583 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.162 4.355 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.652 4.894 3.352 1.00 0.00 H new ATOM 646 N PRO A 43 -3.701 -2.302 3.946 1.00 0.00 N ATOM 647 CA PRO A 43 -4.707 -3.367 3.862 1.00 0.00 C ATOM 648 C PRO A 43 -5.985 -2.913 3.164 1.00 0.00 C ATOM 649 O PRO A 43 -6.520 -3.620 2.309 1.00 0.00 O ATOM 650 CB PRO A 43 -4.990 -3.701 5.327 1.00 0.00 C ATOM 651 CG PRO A 43 -3.736 -3.340 6.045 1.00 0.00 C ATOM 652 CD PRO A 43 -3.171 -2.151 5.315 1.00 0.00 C ATOM 0 HA PRO A 43 -4.352 -4.214 3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.840 -3.134 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.229 -4.757 5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.939 -3.098 7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.031 -4.171 6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.491 -1.213 5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.081 -2.154 5.326 1.00 0.00 H new ATOM 660 N THR A 44 -6.474 -1.733 3.531 1.00 0.00 N ATOM 661 CA THR A 44 -7.691 -1.193 2.937 1.00 0.00 C ATOM 662 C THR A 44 -7.452 0.200 2.362 1.00 0.00 C ATOM 663 O THR A 44 -6.524 0.900 2.767 1.00 0.00 O ATOM 664 CB THR A 44 -8.812 -1.145 3.977 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.278 -1.054 5.285 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.720 -2.354 3.934 1.00 0.00 C ATOM 0 H THR A 44 -6.046 -1.133 4.236 1.00 0.00 H new ATOM 0 HA THR A 44 -7.988 -1.852 2.121 1.00 0.00 H new ATOM 0 HB THR A 44 -9.400 -0.261 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.010 -1.023 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.493 -2.256 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.187 -2.424 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.136 -3.255 4.123 1.00 0.00 H new ATOM 674 N GLN A 45 -8.298 0.595 1.416 1.00 0.00 N ATOM 675 CA GLN A 45 -8.184 1.904 0.783 1.00 0.00 C ATOM 676 C GLN A 45 -8.451 3.019 1.789 1.00 0.00 C ATOM 677 O GLN A 45 -7.900 4.115 1.676 1.00 0.00 O ATOM 678 CB GLN A 45 -9.159 2.014 -0.389 1.00 0.00 C ATOM 679 CG GLN A 45 -8.779 3.085 -1.399 1.00 0.00 C ATOM 680 CD GLN A 45 -9.307 4.455 -1.021 1.00 0.00 C ATOM 681 OE1 GLN A 45 -8.573 5.294 -0.499 1.00 0.00 O ATOM 682 NE2 GLN A 45 -10.588 4.689 -1.284 1.00 0.00 N ATOM 0 H GLN A 45 -9.071 0.026 1.071 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.166 2.012 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.214 1.051 -0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.156 2.228 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.693 3.129 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.166 2.808 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.160 3.965 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.999 5.593 -1.052 1.00 0.00 H new ATOM 691 N GLU A 46 -9.300 2.734 2.772 1.00 0.00 N ATOM 692 CA GLU A 46 -9.638 3.713 3.798 1.00 0.00 C ATOM 693 C GLU A 46 -8.385 4.202 4.516 1.00 0.00 C ATOM 694 O GLU A 46 -8.283 5.373 4.885 1.00 0.00 O ATOM 695 CB GLU A 46 -10.616 3.110 4.808 1.00 0.00 C ATOM 696 CG GLU A 46 -12.042 3.012 4.291 1.00 0.00 C ATOM 697 CD GLU A 46 -12.675 1.665 4.575 1.00 0.00 C ATOM 698 OE1 GLU A 46 -11.971 0.641 4.451 1.00 0.00 O ATOM 699 OE2 GLU A 46 -13.874 1.633 4.922 1.00 0.00 O ATOM 0 H GLU A 46 -9.766 1.833 2.879 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.112 4.565 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.270 2.114 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.608 3.715 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.645 3.796 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.048 3.192 3.216 1.00 0.00 H new ATOM 706 N ALA A 47 -7.430 3.297 4.707 1.00 0.00 N ATOM 707 CA ALA A 47 -6.181 3.635 5.376 1.00 0.00 C ATOM 708 C ALA A 47 -5.283 4.466 4.467 1.00 0.00 C ATOM 709 O ALA A 47 -4.502 5.292 4.936 1.00 0.00 O ATOM 710 CB ALA A 47 -5.461 2.368 5.817 1.00 0.00 C ATOM 0 H ALA A 47 -7.498 2.324 4.408 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.416 4.232 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.529 2.634 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.095 1.810 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.243 1.751 4.945 1.00 0.00 H new ATOM 716 N CYS A 48 -5.399 4.236 3.164 1.00 0.00 N ATOM 717 CA CYS A 48 -4.598 4.955 2.178 1.00 0.00 C ATOM 718 C CYS A 48 -4.903 6.453 2.195 1.00 0.00 C ATOM 719 O CYS A 48 -3.992 7.282 2.206 1.00 0.00 O ATOM 720 CB CYS A 48 -4.862 4.384 0.782 1.00 0.00 C ATOM 721 SG CYS A 48 -3.929 5.200 -0.555 1.00 0.00 S ATOM 0 H CYS A 48 -6.043 3.554 2.764 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.547 4.824 2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.616 3.322 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.927 4.464 0.566 1.00 0.00 H new ATOM 726 N MET A 49 -6.188 6.791 2.184 1.00 0.00 N ATOM 727 CA MET A 49 -6.615 8.187 2.183 1.00 0.00 C ATOM 728 C MET A 49 -6.334 8.867 3.522 1.00 0.00 C ATOM 729 O MET A 49 -5.963 10.040 3.564 1.00 0.00 O ATOM 730 CB MET A 49 -8.105 8.283 1.855 1.00 0.00 C ATOM 731 CG MET A 49 -8.392 8.457 0.372 1.00 0.00 C ATOM 732 SD MET A 49 -10.001 9.208 0.059 1.00 0.00 S ATOM 733 CE MET A 49 -9.553 10.503 -1.093 1.00 0.00 C ATOM 0 H MET A 49 -6.953 6.117 2.176 1.00 0.00 H new ATOM 0 HA MET A 49 -6.039 8.706 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.605 7.382 2.210 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.535 9.123 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.614 9.076 -0.075 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.347 7.485 -0.119 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.446 11.058 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.841 11.180 -0.621 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.099 10.060 -1.980 1.00 0.00 H new ATOM 743 N LYS A 50 -6.520 8.136 4.615 1.00 0.00 N ATOM 744 CA LYS A 50 -6.293 8.692 5.946 1.00 0.00 C ATOM 745 C LYS A 50 -4.805 8.745 6.298 1.00 0.00 C ATOM 746 O LYS A 50 -4.438 9.186 7.387 1.00 0.00 O ATOM 747 CB LYS A 50 -7.054 7.882 7.000 1.00 0.00 C ATOM 748 CG LYS A 50 -6.501 6.484 7.218 1.00 0.00 C ATOM 749 CD LYS A 50 -5.982 6.300 8.636 1.00 0.00 C ATOM 750 CE LYS A 50 -4.944 5.193 8.711 1.00 0.00 C ATOM 751 NZ LYS A 50 -4.650 4.802 10.118 1.00 0.00 N ATOM 0 H LYS A 50 -6.825 7.163 4.608 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.668 9.716 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.031 8.423 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.099 7.806 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.280 5.749 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.695 6.296 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.545 7.234 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.813 6.066 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.300 4.323 8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.025 5.523 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.937 4.045 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.286 5.626 10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.521 4.463 10.573 1.00 0.00 H new ATOM 765 N ARG A 51 -3.949 8.299 5.381 1.00 0.00 N ATOM 766 CA ARG A 51 -2.509 8.309 5.622 1.00 0.00 C ATOM 767 C ARG A 51 -1.858 9.551 5.019 1.00 0.00 C ATOM 768 O ARG A 51 -1.125 10.269 5.700 1.00 0.00 O ATOM 769 CB ARG A 51 -1.859 7.050 5.045 1.00 0.00 C ATOM 770 CG ARG A 51 -0.872 6.389 5.994 1.00 0.00 C ATOM 771 CD ARG A 51 -1.542 5.965 7.292 1.00 0.00 C ATOM 772 NE ARG A 51 -1.750 4.520 7.354 1.00 0.00 N ATOM 773 CZ ARG A 51 -0.800 3.648 7.685 1.00 0.00 C ATOM 774 NH1 ARG A 51 0.423 4.067 7.982 1.00 0.00 N ATOM 775 NH2 ARG A 51 -1.076 2.350 7.719 1.00 0.00 N ATOM 0 H ARG A 51 -4.225 7.929 4.471 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.354 8.328 6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.639 6.333 4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.344 7.308 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.429 5.518 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.058 7.080 6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.928 6.280 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.501 6.474 7.388 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.677 4.158 7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.641 5.063 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.146 3.393 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.015 2.022 7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.349 1.681 7.972 1.00 0.00 H new ATOM 789 N CYS A 52 -2.118 9.795 3.737 1.00 0.00 N ATOM 790 CA CYS A 52 -1.542 10.947 3.051 1.00 0.00 C ATOM 791 C CYS A 52 -2.616 11.960 2.660 1.00 0.00 C ATOM 792 O CYS A 52 -2.349 13.159 2.579 1.00 0.00 O ATOM 793 CB CYS A 52 -0.775 10.492 1.806 1.00 0.00 C ATOM 794 SG CYS A 52 1.027 10.743 1.911 1.00 0.00 S ATOM 0 H CYS A 52 -2.721 9.213 3.155 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.854 11.435 3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.975 9.434 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.157 11.032 0.939 1.00 0.00 H new ATOM 799 N ALA A 53 -3.829 11.475 2.414 1.00 0.00 N ATOM 800 CA ALA A 53 -4.932 12.347 2.029 1.00 0.00 C ATOM 801 C ALA A 53 -5.517 13.067 3.239 1.00 0.00 C ATOM 802 O ALA A 53 -6.110 14.138 3.108 1.00 0.00 O ATOM 803 CB ALA A 53 -6.011 11.549 1.311 1.00 0.00 C ATOM 0 H ALA A 53 -4.072 10.486 2.474 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.541 13.103 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.828 12.213 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.590 11.092 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.388 10.770 1.973 1.00 0.00 H new ATOM 809 N LYS A 54 -5.348 12.475 4.418 1.00 0.00 N ATOM 810 CA LYS A 54 -5.862 13.066 5.647 1.00 0.00 C ATOM 811 C LYS A 54 -5.204 14.415 5.920 1.00 0.00 C ATOM 812 O LYS A 54 -5.845 15.461 5.819 1.00 0.00 O ATOM 813 CB LYS A 54 -5.629 12.123 6.829 1.00 0.00 C ATOM 814 CG LYS A 54 -6.825 12.003 7.758 1.00 0.00 C ATOM 815 CD LYS A 54 -6.394 11.723 9.189 1.00 0.00 C ATOM 816 CE LYS A 54 -5.783 12.955 9.837 1.00 0.00 C ATOM 817 NZ LYS A 54 -5.512 12.742 11.286 1.00 0.00 N ATOM 0 H LYS A 54 -4.860 11.589 4.547 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.933 13.223 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.375 11.134 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.770 12.476 7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.406 12.925 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.478 11.202 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.254 11.393 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.670 10.908 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.854 13.211 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.457 13.802 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.096 13.604 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.402 12.523 11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.848 11.950 11.402 1.00 0.00 H new ATOM 831 N ALA A 55 -3.921 14.383 6.265 1.00 0.00 N ATOM 832 CA ALA A 55 -3.176 15.602 6.553 1.00 0.00 C ATOM 833 C ALA A 55 -2.740 16.295 5.267 1.00 0.00 C ATOM 834 O ALA A 55 -2.644 15.608 4.228 1.00 0.00 O ATOM 835 CB ALA A 55 -1.967 15.287 7.421 1.00 0.00 C ATOM 836 OXT ALA A 55 -2.498 17.520 5.308 1.00 0.00 O ATOM 0 H ALA A 55 -3.376 13.525 6.352 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.833 16.281 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.419 16.206 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.299 14.842 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.316 14.587 6.898 1.00 0.00 H new TER 842 ALA A 55