USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 ARG N :NH3+ 129:sc= 0.068 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 172:sc= 0.538 USER MOD Single : A 19 LYS NZ :NH3+ -173:sc=-0.00582 (180deg=-0.103) USER MOD Single : A 24 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -153:sc= -12.1! (180deg=-13.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -129:sc= -0.361 (180deg=-1.71!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0118 X(o=-0.012,f=0.13) USER MOD Single : A 42 THR OG1 : rot -37:sc= 0.706 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.513 F(o=-2.7!,f=-0.51) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -37:sc= 0.829 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -11.8! C(o=-14!,f=-12!) USER MOD Single : A 69 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -130:sc= -0.54! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 91:sc= 0.65 USER MOD Single : A 85 MET CE :methyl -150:sc= -0.167 (180deg=-1.73!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 138:sc= 0.258 (180deg=0) USER MOD Single : B 5 SER OG : rot -110:sc= -0.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.910 -18.441 7.211 1.00 0.00 N ATOM 2 CA ARG A 1 -6.541 -17.288 8.082 1.00 0.00 C ATOM 3 C ARG A 1 -5.021 -17.190 8.211 1.00 0.00 C ATOM 4 O ARG A 1 -4.291 -18.043 7.747 1.00 0.00 O ATOM 5 CB ARG A 1 -7.177 -17.596 9.437 1.00 0.00 C ATOM 6 CG ARG A 1 -8.593 -17.018 9.477 1.00 0.00 C ATOM 7 CD ARG A 1 -8.973 -16.701 10.923 1.00 0.00 C ATOM 8 NE ARG A 1 -10.328 -16.088 10.835 1.00 0.00 N ATOM 9 CZ ARG A 1 -11.284 -16.500 11.621 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.467 -17.779 11.811 1.00 0.00 N ATOM 11 NH2 ARG A 1 -12.057 -15.634 12.218 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.616 -19.031 7.696 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.309 -18.088 6.318 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.063 -19.010 7.011 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.887 -16.337 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.207 -18.673 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.575 -17.169 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -8.646 -16.115 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.300 -17.730 9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.986 -17.603 11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.258 -16.016 11.379 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.508 -15.345 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.862 -18.455 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.214 -18.101 12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.913 -14.635 12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -12.805 -15.956 12.833 1.00 0.00 H new ATOM 27 N ARG A 2 -4.537 -16.150 8.832 1.00 0.00 N ATOM 28 CA ARG A 2 -3.062 -15.993 8.982 1.00 0.00 C ATOM 29 C ARG A 2 -2.733 -15.082 10.168 1.00 0.00 C ATOM 30 O ARG A 2 -3.588 -14.401 10.702 1.00 0.00 O ATOM 31 CB ARG A 2 -2.606 -15.344 7.673 1.00 0.00 C ATOM 32 CG ARG A 2 -2.296 -16.427 6.649 1.00 0.00 C ATOM 33 CD ARG A 2 -0.988 -16.083 5.934 1.00 0.00 C ATOM 34 NE ARG A 2 0.053 -16.133 7.000 1.00 0.00 N ATOM 35 CZ ARG A 2 0.828 -17.178 7.106 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.577 -17.540 6.100 1.00 0.00 N ATOM 37 NH2 ARG A 2 0.855 -17.862 8.217 1.00 0.00 N ATOM 0 H ARG A 2 -5.098 -15.403 9.242 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.566 -16.945 9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.384 -14.682 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.722 -14.730 7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.212 -17.396 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.109 -16.506 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.773 -16.796 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.036 -15.096 5.474 1.00 0.00 H new ATOM 0 HE ARG A 2 0.160 -15.351 7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.557 -17.006 5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.183 -18.357 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.270 -17.580 9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.461 -18.678 8.299 1.00 0.00 H new ATOM 51 N ARG A 3 -1.493 -15.053 10.566 1.00 0.00 N ATOM 52 CA ARG A 3 -1.084 -14.179 11.701 1.00 0.00 C ATOM 53 C ARG A 3 0.255 -13.521 11.371 1.00 0.00 C ATOM 54 O ARG A 3 1.246 -14.191 11.157 1.00 0.00 O ATOM 55 CB ARG A 3 -0.948 -15.118 12.900 1.00 0.00 C ATOM 56 CG ARG A 3 -2.319 -15.696 13.252 1.00 0.00 C ATOM 57 CD ARG A 3 -2.374 -16.003 14.750 1.00 0.00 C ATOM 58 NE ARG A 3 -2.773 -14.719 15.392 1.00 0.00 N ATOM 59 CZ ARG A 3 -2.709 -14.591 16.690 1.00 0.00 C ATOM 60 NH1 ARG A 3 -3.712 -14.974 17.434 1.00 0.00 N ATOM 61 NH2 ARG A 3 -1.644 -14.079 17.244 1.00 0.00 N ATOM 0 H ARG A 3 -0.739 -15.601 10.151 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.799 -13.381 11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.251 -15.923 12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.539 -14.578 13.754 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.103 -14.987 12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.501 -16.604 12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.094 -16.792 14.965 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.407 -16.345 15.119 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.096 -13.940 14.818 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.545 -15.373 17.001 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.662 -14.874 18.448 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.861 -13.779 16.663 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.594 -13.979 18.258 1.00 0.00 H new ATOM 75 N VAL A 4 0.299 -12.217 11.309 1.00 0.00 N ATOM 76 CA VAL A 4 1.585 -11.543 10.973 1.00 0.00 C ATOM 77 C VAL A 4 1.924 -10.477 12.016 1.00 0.00 C ATOM 78 O VAL A 4 1.140 -9.594 12.298 1.00 0.00 O ATOM 79 CB VAL A 4 1.345 -10.902 9.602 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.563 -10.064 9.205 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.123 -12.000 8.558 1.00 0.00 C ATOM 0 H VAL A 4 -0.492 -11.595 11.475 1.00 0.00 H new ATOM 0 HA VAL A 4 2.423 -12.240 10.960 1.00 0.00 H new ATOM 0 HB VAL A 4 0.465 -10.261 9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.390 -9.609 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.724 -9.282 9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.444 -10.704 9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.952 -11.545 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.004 -12.640 8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.255 -12.597 8.837 1.00 0.00 H new ATOM 91 N THR A 5 3.097 -10.552 12.582 1.00 0.00 N ATOM 92 CA THR A 5 3.504 -9.539 13.597 1.00 0.00 C ATOM 93 C THR A 5 4.719 -8.767 13.086 1.00 0.00 C ATOM 94 O THR A 5 5.791 -9.316 12.922 1.00 0.00 O ATOM 95 CB THR A 5 3.859 -10.342 14.854 1.00 0.00 C ATOM 96 OG1 THR A 5 2.678 -10.923 15.391 1.00 0.00 O ATOM 97 CG2 THR A 5 4.495 -9.416 15.900 1.00 0.00 C ATOM 0 H THR A 5 3.792 -11.272 12.385 1.00 0.00 H new ATOM 0 HA THR A 5 2.718 -8.812 13.801 1.00 0.00 H new ATOM 0 HB THR A 5 4.568 -11.128 14.592 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.903 -11.438 16.194 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.745 -9.992 16.791 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.401 -8.971 15.489 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.791 -8.627 16.164 1.00 0.00 H new ATOM 105 N VAL A 6 4.566 -7.499 12.836 1.00 0.00 N ATOM 106 CA VAL A 6 5.724 -6.701 12.340 1.00 0.00 C ATOM 107 C VAL A 6 6.302 -5.859 13.476 1.00 0.00 C ATOM 108 O VAL A 6 5.688 -4.926 13.950 1.00 0.00 O ATOM 109 CB VAL A 6 5.158 -5.815 11.230 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.253 -4.886 10.704 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.656 -6.701 10.092 1.00 0.00 C ATOM 0 H VAL A 6 3.695 -6.981 12.952 1.00 0.00 H new ATOM 0 HA VAL A 6 6.535 -7.329 11.971 1.00 0.00 H new ATOM 0 HB VAL A 6 4.337 -5.216 11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.847 -4.256 9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.619 -4.258 11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.075 -5.481 10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.251 -6.076 9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.482 -7.295 9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.876 -7.365 10.465 1.00 0.00 H new ATOM 121 N ARG A 7 7.482 -6.189 13.916 1.00 0.00 N ATOM 122 CA ARG A 7 8.108 -5.415 15.025 1.00 0.00 C ATOM 123 C ARG A 7 8.540 -4.035 14.523 1.00 0.00 C ATOM 124 O ARG A 7 9.293 -3.916 13.577 1.00 0.00 O ATOM 125 CB ARG A 7 9.326 -6.232 15.449 1.00 0.00 C ATOM 126 CG ARG A 7 8.960 -7.176 16.600 1.00 0.00 C ATOM 127 CD ARG A 7 10.231 -7.554 17.363 1.00 0.00 C ATOM 128 NE ARG A 7 9.758 -8.000 18.703 1.00 0.00 N ATOM 129 CZ ARG A 7 10.606 -8.122 19.687 1.00 0.00 C ATOM 130 NH1 ARG A 7 11.138 -7.061 20.227 1.00 0.00 N ATOM 131 NH2 ARG A 7 10.923 -9.308 20.130 1.00 0.00 N ATOM 0 H ARG A 7 8.042 -6.962 13.556 1.00 0.00 H new ATOM 0 HA ARG A 7 7.419 -5.255 15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.699 -6.808 14.602 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.130 -5.564 15.759 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.249 -6.693 17.270 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.475 -8.071 16.212 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.776 -8.348 16.853 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.909 -6.704 17.446 1.00 0.00 H new ATOM 0 HE ARG A 7 8.771 -8.210 18.851 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.891 -6.134 19.880 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.801 -7.158 20.996 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.508 -10.138 19.707 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.586 -9.405 20.899 1.00 0.00 H new ATOM 213 N LEU A 14 5.732 2.251 7.358 1.00 0.00 N ATOM 214 CA LEU A 14 5.565 0.773 7.476 1.00 0.00 C ATOM 215 C LEU A 14 5.576 0.125 6.088 1.00 0.00 C ATOM 216 O LEU A 14 5.767 -1.067 5.952 1.00 0.00 O ATOM 217 CB LEU A 14 4.197 0.583 8.133 1.00 0.00 C ATOM 218 CG LEU A 14 4.211 -0.666 9.014 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.262 -0.466 10.196 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.744 -1.870 8.198 1.00 0.00 C ATOM 0 HA LEU A 14 6.368 0.314 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.947 1.458 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.426 0.490 7.368 1.00 0.00 H new ATOM 0 HG LEU A 14 5.223 -0.839 9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.271 -1.356 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.586 0.395 10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.251 -0.294 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.754 -2.761 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.732 -1.693 7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.413 -2.016 7.350 1.00 0.00 H new ATOM 232 N GLY A 15 5.363 0.896 5.054 1.00 0.00 N ATOM 233 CA GLY A 15 5.349 0.311 3.684 1.00 0.00 C ATOM 234 C GLY A 15 4.182 -0.670 3.589 1.00 0.00 C ATOM 235 O GLY A 15 4.346 -1.862 3.747 1.00 0.00 O ATOM 0 H GLY A 15 5.199 1.902 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.244 1.098 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.290 -0.199 3.480 1.00 0.00 H new ATOM 239 N ILE A 16 2.998 -0.173 3.356 1.00 0.00 N ATOM 240 CA ILE A 16 1.811 -1.077 3.280 1.00 0.00 C ATOM 241 C ILE A 16 0.556 -0.278 2.911 1.00 0.00 C ATOM 242 O ILE A 16 0.129 0.595 3.638 1.00 0.00 O ATOM 243 CB ILE A 16 1.680 -1.674 4.695 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.349 -2.421 4.831 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.726 -0.554 5.741 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.464 -3.471 5.933 1.00 0.00 C ATOM 0 H ILE A 16 2.800 0.818 3.215 1.00 0.00 H new ATOM 0 HA ILE A 16 1.925 -1.849 2.519 1.00 0.00 H new ATOM 0 HB ILE A 16 2.507 -2.366 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.452 -1.719 5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.089 -2.898 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.633 -0.984 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.674 -0.021 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.904 0.140 5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.483 -4.002 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.253 -4.179 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.704 -2.982 6.877 1.00 0.00 H new ATOM 258 N SER A 17 -0.044 -0.579 1.792 1.00 0.00 N ATOM 259 CA SER A 17 -1.277 0.155 1.395 1.00 0.00 C ATOM 260 C SER A 17 -2.480 -0.792 1.455 1.00 0.00 C ATOM 261 O SER A 17 -2.522 -1.800 0.778 1.00 0.00 O ATOM 262 CB SER A 17 -1.014 0.631 -0.038 1.00 0.00 C ATOM 263 OG SER A 17 -2.223 0.611 -0.783 1.00 0.00 O ATOM 0 H SER A 17 0.265 -1.298 1.138 1.00 0.00 H new ATOM 0 HA SER A 17 -1.502 0.994 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.601 1.640 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.273 -0.011 -0.514 1.00 0.00 H new ATOM 0 HG SER A 17 -2.077 1.032 -1.656 1.00 0.00 H new ATOM 269 N ILE A 18 -3.452 -0.483 2.269 1.00 0.00 N ATOM 270 CA ILE A 18 -4.641 -1.377 2.380 1.00 0.00 C ATOM 271 C ILE A 18 -5.775 -0.895 1.474 1.00 0.00 C ATOM 272 O ILE A 18 -5.932 0.284 1.230 1.00 0.00 O ATOM 273 CB ILE A 18 -5.053 -1.303 3.851 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.411 0.138 4.218 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.890 -1.771 4.727 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.413 0.128 5.372 1.00 0.00 C ATOM 0 H ILE A 18 -3.475 0.347 2.861 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.415 -2.396 2.068 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.920 -1.943 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.514 0.687 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.837 0.651 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.181 -1.719 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.633 -2.799 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.026 -1.129 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.672 1.153 5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.313 -0.406 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.970 -0.370 6.234 1.00 0.00 H new ATOM 288 N LYS A 19 -6.574 -1.802 0.978 1.00 0.00 N ATOM 289 CA LYS A 19 -7.702 -1.395 0.094 1.00 0.00 C ATOM 290 C LYS A 19 -8.988 -2.096 0.538 1.00 0.00 C ATOM 291 O LYS A 19 -8.996 -3.281 0.804 1.00 0.00 O ATOM 292 CB LYS A 19 -7.304 -1.855 -1.303 1.00 0.00 C ATOM 293 CG LYS A 19 -6.744 -0.670 -2.092 1.00 0.00 C ATOM 294 CD LYS A 19 -7.162 -0.792 -3.559 1.00 0.00 C ATOM 295 CE LYS A 19 -8.333 0.153 -3.838 1.00 0.00 C ATOM 296 NZ LYS A 19 -9.552 -0.684 -3.654 1.00 0.00 N ATOM 0 H LYS A 19 -6.494 -2.805 1.147 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.887 -0.321 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.558 -2.647 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.168 -2.273 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.113 0.266 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.657 -0.647 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.322 -0.548 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.449 -1.820 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.329 1.001 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.281 0.559 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.392 -0.142 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.476 -1.541 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.640 -0.953 -2.653 1.00 0.00 H new ATOM 310 N GLY A 20 -10.075 -1.379 0.620 1.00 0.00 N ATOM 311 CA GLY A 20 -11.350 -2.020 1.048 1.00 0.00 C ATOM 312 C GLY A 20 -12.139 -1.056 1.934 1.00 0.00 C ATOM 313 O GLY A 20 -11.922 0.140 1.920 1.00 0.00 O ATOM 0 H GLY A 20 -10.136 -0.383 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.942 -2.294 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.141 -2.941 1.592 1.00 0.00 H new ATOM 317 N GLY A 21 -13.054 -1.570 2.707 1.00 0.00 N ATOM 318 CA GLY A 21 -13.861 -0.693 3.597 1.00 0.00 C ATOM 319 C GLY A 21 -15.034 -1.492 4.164 1.00 0.00 C ATOM 320 O GLY A 21 -15.683 -2.242 3.462 1.00 0.00 O ATOM 0 H GLY A 21 -13.278 -2.564 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.242 -0.309 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.228 0.170 3.041 1.00 0.00 H new ATOM 324 N ARG A 22 -15.309 -1.342 5.429 1.00 0.00 N ATOM 325 CA ARG A 22 -16.438 -2.098 6.042 1.00 0.00 C ATOM 326 C ARG A 22 -17.761 -1.756 5.341 1.00 0.00 C ATOM 327 O ARG A 22 -18.739 -2.464 5.471 1.00 0.00 O ATOM 328 CB ARG A 22 -16.456 -1.656 7.507 1.00 0.00 C ATOM 329 CG ARG A 22 -17.583 -2.377 8.249 1.00 0.00 C ATOM 330 CD ARG A 22 -16.979 -3.395 9.221 1.00 0.00 C ATOM 331 NE ARG A 22 -17.748 -4.649 8.984 1.00 0.00 N ATOM 332 CZ ARG A 22 -18.837 -4.885 9.663 1.00 0.00 C ATOM 333 NH1 ARG A 22 -19.954 -4.298 9.330 1.00 0.00 N ATOM 334 NH2 ARG A 22 -18.810 -5.709 10.674 1.00 0.00 N ATOM 0 H ARG A 22 -14.801 -0.728 6.066 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.315 -3.177 5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.498 -1.879 7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.598 -0.577 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.195 -1.657 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.238 -2.880 7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.916 -3.541 9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.075 -3.061 10.254 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.423 -5.323 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.976 -3.655 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.805 -4.483 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.937 -6.169 10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.661 -5.893 11.205 1.00 0.00 H new ATOM 348 N GLU A 23 -17.803 -0.686 4.589 1.00 0.00 N ATOM 349 CA GLU A 23 -19.066 -0.327 3.883 1.00 0.00 C ATOM 350 C GLU A 23 -19.291 -1.264 2.688 1.00 0.00 C ATOM 351 O GLU A 23 -20.360 -1.299 2.110 1.00 0.00 O ATOM 352 CB GLU A 23 -18.859 1.110 3.408 1.00 0.00 C ATOM 353 CG GLU A 23 -19.947 2.005 4.008 1.00 0.00 C ATOM 354 CD GLU A 23 -19.953 3.356 3.289 1.00 0.00 C ATOM 355 OE1 GLU A 23 -18.902 3.761 2.819 1.00 0.00 O ATOM 356 OE2 GLU A 23 -21.009 3.964 3.222 1.00 0.00 O ATOM 0 H GLU A 23 -17.021 -0.049 4.435 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.940 -0.421 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.873 1.466 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.896 1.154 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.921 1.526 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.767 2.149 5.073 1.00 0.00 H new ATOM 363 N ASN A 24 -18.295 -2.025 2.313 1.00 0.00 N ATOM 364 CA ASN A 24 -18.458 -2.954 1.159 1.00 0.00 C ATOM 365 C ASN A 24 -18.201 -4.397 1.602 1.00 0.00 C ATOM 366 O ASN A 24 -17.790 -5.232 0.820 1.00 0.00 O ATOM 367 CB ASN A 24 -17.404 -2.512 0.146 1.00 0.00 C ATOM 368 CG ASN A 24 -18.093 -1.917 -1.084 1.00 0.00 C ATOM 369 OD1 ASN A 24 -17.828 -2.322 -2.198 1.00 0.00 O ATOM 370 ND2 ASN A 24 -18.974 -0.966 -0.927 1.00 0.00 N ATOM 0 H ASN A 24 -17.377 -2.042 2.757 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.465 -2.923 0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.739 -1.774 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.786 -3.361 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.440 -0.563 -1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.196 -0.626 0.009 1.00 0.00 H new ATOM 377 N LYS A 25 -18.435 -4.699 2.851 1.00 0.00 N ATOM 378 CA LYS A 25 -18.198 -6.089 3.340 1.00 0.00 C ATOM 379 C LYS A 25 -16.777 -6.536 2.983 1.00 0.00 C ATOM 380 O LYS A 25 -16.570 -7.600 2.434 1.00 0.00 O ATOM 381 CB LYS A 25 -19.231 -6.949 2.607 1.00 0.00 C ATOM 382 CG LYS A 25 -20.180 -7.583 3.626 1.00 0.00 C ATOM 383 CD LYS A 25 -21.249 -8.395 2.893 1.00 0.00 C ATOM 384 CE LYS A 25 -22.632 -8.023 3.432 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.132 -6.965 2.508 1.00 0.00 N ATOM 0 H LYS A 25 -18.780 -4.045 3.553 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.296 -6.170 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.793 -6.338 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.730 -7.725 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.622 -8.227 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.649 -6.808 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.199 -8.198 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.068 -9.461 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.298 -8.886 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.571 -7.656 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.078 -6.657 2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.482 -6.154 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.186 -7.345 1.541 1.00 0.00 H new ATOM 399 N MET A 26 -15.797 -5.728 3.286 1.00 0.00 N ATOM 400 CA MET A 26 -14.392 -6.106 2.957 1.00 0.00 C ATOM 401 C MET A 26 -13.512 -6.046 4.218 1.00 0.00 C ATOM 402 O MET A 26 -13.417 -5.011 4.847 1.00 0.00 O ATOM 403 CB MET A 26 -13.932 -5.058 1.939 1.00 0.00 C ATOM 404 CG MET A 26 -13.708 -5.719 0.573 1.00 0.00 C ATOM 405 SD MET A 26 -11.947 -5.658 0.148 1.00 0.00 S ATOM 406 CE MET A 26 -11.335 -6.585 1.577 1.00 0.00 C ATOM 0 H MET A 26 -15.908 -4.824 3.746 1.00 0.00 H new ATOM 0 HA MET A 26 -14.320 -7.121 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.680 -4.270 1.853 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.010 -4.587 2.280 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.051 -6.753 0.598 1.00 0.00 H new ATOM 0 HG3 MET A 26 -14.294 -5.207 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.311 -6.283 1.795 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.966 -6.379 2.442 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.359 -7.652 1.356 1.00 0.00 H new ATOM 416 N PRO A 27 -12.886 -7.154 4.548 1.00 0.00 N ATOM 417 CA PRO A 27 -12.000 -7.206 5.749 1.00 0.00 C ATOM 418 C PRO A 27 -10.683 -6.444 5.519 1.00 0.00 C ATOM 419 O PRO A 27 -9.619 -6.978 5.765 1.00 0.00 O ATOM 420 CB PRO A 27 -11.692 -8.692 5.897 1.00 0.00 C ATOM 421 CG PRO A 27 -11.847 -9.248 4.519 1.00 0.00 C ATOM 422 CD PRO A 27 -12.948 -8.455 3.861 1.00 0.00 C ATOM 0 HA PRO A 27 -12.473 -6.754 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.683 -8.852 6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.377 -9.171 6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.917 -9.160 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.099 -10.308 4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.783 -8.352 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.920 -8.932 3.990 1.00 0.00 H new ATOM 430 N ILE A 28 -10.734 -5.213 5.063 1.00 0.00 N ATOM 431 CA ILE A 28 -9.468 -4.432 4.828 1.00 0.00 C ATOM 432 C ILE A 28 -8.404 -5.312 4.140 1.00 0.00 C ATOM 433 O ILE A 28 -7.615 -5.958 4.798 1.00 0.00 O ATOM 434 CB ILE A 28 -8.981 -4.014 6.223 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.137 -3.416 7.043 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.876 -2.968 6.079 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.757 -2.240 6.286 1.00 0.00 C ATOM 0 H ILE A 28 -11.595 -4.713 4.843 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.643 -3.574 4.178 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.601 -4.895 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.893 -4.178 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.771 -3.083 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.527 -2.669 7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.045 -3.392 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.266 -2.097 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.575 -1.821 6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.000 -1.474 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.139 -2.586 5.326 1.00 0.00 H new ATOM 449 N LEU A 29 -8.386 -5.361 2.832 1.00 0.00 N ATOM 450 CA LEU A 29 -7.385 -6.225 2.135 1.00 0.00 C ATOM 451 C LEU A 29 -6.168 -5.419 1.675 1.00 0.00 C ATOM 452 O LEU A 29 -6.295 -4.382 1.055 1.00 0.00 O ATOM 453 CB LEU A 29 -8.120 -6.778 0.911 1.00 0.00 C ATOM 454 CG LEU A 29 -8.553 -8.222 1.159 1.00 0.00 C ATOM 455 CD1 LEU A 29 -9.300 -8.744 -0.071 1.00 0.00 C ATOM 456 CD2 LEU A 29 -7.322 -9.096 1.400 1.00 0.00 C ATOM 0 H LEU A 29 -9.017 -4.844 2.220 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.013 -7.005 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.993 -6.162 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.471 -6.731 0.037 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.203 -8.257 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.611 -9.774 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.179 -8.126 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.643 -8.704 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.635 -10.125 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.673 -9.059 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.779 -8.728 2.270 1.00 0.00 H new ATOM 468 N ILE A 30 -4.986 -5.910 1.942 1.00 0.00 N ATOM 469 CA ILE A 30 -3.765 -5.194 1.485 1.00 0.00 C ATOM 470 C ILE A 30 -3.677 -5.285 -0.040 1.00 0.00 C ATOM 471 O ILE A 30 -3.947 -6.317 -0.621 1.00 0.00 O ATOM 472 CB ILE A 30 -2.601 -5.934 2.139 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.690 -5.768 3.658 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.276 -5.356 1.637 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.507 -6.476 4.319 1.00 0.00 C ATOM 0 H ILE A 30 -4.817 -6.775 2.456 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.764 -4.138 1.754 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.650 -6.992 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.686 -4.710 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.628 -6.184 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.447 -5.886 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.215 -5.472 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.221 -4.298 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.570 -6.358 5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.531 -7.536 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.575 -6.039 3.960 1.00 0.00 H new ATOM 487 N SER A 31 -3.318 -4.219 -0.699 1.00 0.00 N ATOM 488 CA SER A 31 -3.236 -4.269 -2.188 1.00 0.00 C ATOM 489 C SER A 31 -1.817 -3.958 -2.668 1.00 0.00 C ATOM 490 O SER A 31 -1.419 -4.359 -3.744 1.00 0.00 O ATOM 491 CB SER A 31 -4.213 -3.199 -2.678 1.00 0.00 C ATOM 492 OG SER A 31 -4.170 -3.134 -4.095 1.00 0.00 O ATOM 0 H SER A 31 -3.079 -3.322 -0.277 1.00 0.00 H new ATOM 0 HA SER A 31 -3.483 -5.259 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.224 -3.434 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.953 -2.231 -2.251 1.00 0.00 H new ATOM 0 HG SER A 31 -4.797 -2.450 -4.410 1.00 0.00 H new ATOM 498 N LYS A 32 -1.050 -3.247 -1.891 1.00 0.00 N ATOM 499 CA LYS A 32 0.335 -2.920 -2.329 1.00 0.00 C ATOM 500 C LYS A 32 1.308 -3.009 -1.153 1.00 0.00 C ATOM 501 O LYS A 32 1.312 -2.174 -0.271 1.00 0.00 O ATOM 502 CB LYS A 32 0.257 -1.487 -2.851 1.00 0.00 C ATOM 503 CG LYS A 32 0.766 -1.441 -4.293 1.00 0.00 C ATOM 504 CD LYS A 32 1.525 -0.133 -4.525 1.00 0.00 C ATOM 505 CE LYS A 32 0.582 1.050 -4.295 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.531 0.845 -5.263 1.00 0.00 N ATOM 0 H LYS A 32 -1.319 -2.880 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 32 0.697 -3.614 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.771 -1.127 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.854 -0.827 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.419 -2.292 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.071 -1.517 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.377 -0.070 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.921 -0.105 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.215 1.069 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.088 1.999 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.682 1.717 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.289 0.069 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.401 0.606 -4.746 1.00 0.00 H new ATOM 520 N ILE A 33 2.140 -4.012 -1.143 1.00 0.00 N ATOM 521 CA ILE A 33 3.124 -4.151 -0.035 1.00 0.00 C ATOM 522 C ILE A 33 4.448 -3.504 -0.454 1.00 0.00 C ATOM 523 O ILE A 33 5.246 -4.086 -1.159 1.00 0.00 O ATOM 524 CB ILE A 33 3.267 -5.663 0.174 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.016 -6.189 0.875 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.486 -5.968 1.042 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.849 -5.490 2.228 1.00 0.00 C ATOM 0 H ILE A 33 2.181 -4.742 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 33 2.814 -3.659 0.887 1.00 0.00 H new ATOM 0 HB ILE A 33 3.391 -6.144 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.138 -6.013 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.094 -7.267 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.573 -7.046 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.384 -5.591 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.372 -5.485 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.956 -5.868 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.722 -5.688 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.751 -4.416 2.073 1.00 0.00 H new ATOM 539 N PHE A 34 4.671 -2.294 -0.025 1.00 0.00 N ATOM 540 CA PHE A 34 5.929 -1.585 -0.392 1.00 0.00 C ATOM 541 C PHE A 34 7.148 -2.391 0.066 1.00 0.00 C ATOM 542 O PHE A 34 7.224 -2.838 1.194 1.00 0.00 O ATOM 543 CB PHE A 34 5.837 -0.241 0.335 1.00 0.00 C ATOM 544 CG PHE A 34 4.735 0.584 -0.292 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.418 0.477 0.177 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.028 1.445 -1.356 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.402 1.229 -0.416 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.010 2.196 -1.951 1.00 0.00 C ATOM 549 CZ PHE A 34 2.696 2.089 -1.481 1.00 0.00 C ATOM 0 H PHE A 34 4.033 -1.762 0.567 1.00 0.00 H new ATOM 0 HA PHE A 34 6.043 -1.454 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.633 -0.399 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.788 0.288 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.189 -0.187 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.042 1.529 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.388 1.147 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.237 2.859 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.909 2.670 -1.940 1.00 0.00 H new ATOM 559 N LYS A 35 8.095 -2.592 -0.811 1.00 0.00 N ATOM 560 CA LYS A 35 9.307 -3.384 -0.446 1.00 0.00 C ATOM 561 C LYS A 35 10.267 -2.553 0.406 1.00 0.00 C ATOM 562 O LYS A 35 10.088 -1.365 0.586 1.00 0.00 O ATOM 563 CB LYS A 35 9.956 -3.746 -1.782 1.00 0.00 C ATOM 564 CG LYS A 35 10.345 -2.463 -2.520 1.00 0.00 C ATOM 565 CD LYS A 35 9.944 -2.579 -3.992 1.00 0.00 C ATOM 566 CE LYS A 35 10.140 -1.227 -4.681 1.00 0.00 C ATOM 567 NZ LYS A 35 9.674 -1.441 -6.080 1.00 0.00 N ATOM 0 H LYS A 35 8.082 -2.241 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 35 9.054 -4.265 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.838 -4.365 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.265 -4.332 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.851 -1.605 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.419 -2.294 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.547 -3.342 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.903 -2.893 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.564 -0.444 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.185 -0.918 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.776 -0.558 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.245 -2.187 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.674 -1.728 -6.073 1.00 0.00 H new ATOM 581 N GLY A 36 11.287 -3.176 0.933 1.00 0.00 N ATOM 582 CA GLY A 36 12.260 -2.430 1.776 1.00 0.00 C ATOM 583 C GLY A 36 11.522 -1.800 2.956 1.00 0.00 C ATOM 584 O GLY A 36 11.898 -0.753 3.448 1.00 0.00 O ATOM 0 H GLY A 36 11.487 -4.169 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.039 -3.103 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.754 -1.658 1.186 1.00 0.00 H new ATOM 588 N LEU A 37 10.466 -2.421 3.415 1.00 0.00 N ATOM 589 CA LEU A 37 9.708 -1.843 4.559 1.00 0.00 C ATOM 590 C LEU A 37 9.292 -2.939 5.550 1.00 0.00 C ATOM 591 O LEU A 37 9.291 -4.113 5.236 1.00 0.00 O ATOM 592 CB LEU A 37 8.483 -1.184 3.925 1.00 0.00 C ATOM 593 CG LEU A 37 8.870 0.206 3.410 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.512 0.326 1.928 1.00 0.00 C ATOM 595 CD2 LEU A 37 8.114 1.276 4.202 1.00 0.00 C ATOM 0 H LEU A 37 10.099 -3.299 3.048 1.00 0.00 H new ATOM 0 HA LEU A 37 10.305 -1.131 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.108 -1.797 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.679 -1.103 4.656 1.00 0.00 H new ATOM 0 HG LEU A 37 9.943 0.348 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.789 1.316 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.052 -0.432 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.440 0.180 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.391 2.264 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.041 1.130 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.372 1.197 5.258 1.00 0.00 H new ATOM 607 N ALA A 38 8.952 -2.552 6.749 1.00 0.00 N ATOM 608 CA ALA A 38 8.545 -3.544 7.790 1.00 0.00 C ATOM 609 C ALA A 38 7.513 -4.539 7.248 1.00 0.00 C ATOM 610 O ALA A 38 7.768 -5.722 7.141 1.00 0.00 O ATOM 611 CB ALA A 38 7.922 -2.698 8.900 1.00 0.00 C ATOM 0 H ALA A 38 8.938 -1.580 7.057 1.00 0.00 H new ATOM 0 HA ALA A 38 9.393 -4.139 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.593 -3.347 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.661 -1.992 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.067 -2.150 8.504 1.00 0.00 H new ATOM 617 N ALA A 39 6.339 -4.070 6.940 1.00 0.00 N ATOM 618 CA ALA A 39 5.265 -4.978 6.440 1.00 0.00 C ATOM 619 C ALA A 39 5.767 -5.916 5.335 1.00 0.00 C ATOM 620 O ALA A 39 5.303 -7.031 5.211 1.00 0.00 O ATOM 621 CB ALA A 39 4.190 -4.043 5.893 1.00 0.00 C ATOM 0 H ALA A 39 6.072 -3.088 7.013 1.00 0.00 H new ATOM 0 HA ALA A 39 4.899 -5.629 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.360 -4.632 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.831 -3.394 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.610 -3.434 5.092 1.00 0.00 H new ATOM 627 N ASP A 40 6.689 -5.483 4.519 1.00 0.00 N ATOM 628 CA ASP A 40 7.172 -6.377 3.424 1.00 0.00 C ATOM 629 C ASP A 40 8.448 -7.122 3.835 1.00 0.00 C ATOM 630 O ASP A 40 8.793 -8.131 3.252 1.00 0.00 O ATOM 631 CB ASP A 40 7.449 -5.449 2.239 1.00 0.00 C ATOM 632 CG ASP A 40 8.063 -6.256 1.090 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.209 -6.652 1.220 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.379 -6.465 0.103 1.00 0.00 O ATOM 0 H ASP A 40 7.125 -4.562 4.560 1.00 0.00 H new ATOM 0 HA ASP A 40 6.436 -7.144 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.524 -4.975 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.127 -4.650 2.540 1.00 0.00 H new ATOM 639 N GLN A 41 9.156 -6.642 4.820 1.00 0.00 N ATOM 640 CA GLN A 41 10.406 -7.346 5.233 1.00 0.00 C ATOM 641 C GLN A 41 10.123 -8.329 6.377 1.00 0.00 C ATOM 642 O GLN A 41 11.028 -8.804 7.033 1.00 0.00 O ATOM 643 CB GLN A 41 11.368 -6.234 5.681 1.00 0.00 C ATOM 644 CG GLN A 41 10.866 -5.595 6.978 1.00 0.00 C ATOM 645 CD GLN A 41 11.889 -5.828 8.091 1.00 0.00 C ATOM 646 OE1 GLN A 41 11.828 -6.820 8.790 1.00 0.00 O ATOM 647 NE2 GLN A 41 12.834 -4.950 8.286 1.00 0.00 N ATOM 0 H GLN A 41 8.928 -5.802 5.353 1.00 0.00 H new ATOM 0 HA GLN A 41 10.829 -7.938 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.366 -6.645 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.449 -5.477 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.709 -4.526 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.904 -6.024 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.885 -4.117 7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.522 -5.096 9.025 1.00 0.00 H new ATOM 656 N THR A 42 8.877 -8.643 6.621 1.00 0.00 N ATOM 657 CA THR A 42 8.560 -9.597 7.724 1.00 0.00 C ATOM 658 C THR A 42 8.109 -10.953 7.161 1.00 0.00 C ATOM 659 O THR A 42 7.578 -11.779 7.875 1.00 0.00 O ATOM 660 CB THR A 42 7.426 -8.936 8.513 1.00 0.00 C ATOM 661 OG1 THR A 42 7.100 -9.743 9.635 1.00 0.00 O ATOM 662 CG2 THR A 42 6.193 -8.780 7.621 1.00 0.00 C ATOM 0 H THR A 42 8.072 -8.283 6.109 1.00 0.00 H new ATOM 0 HA THR A 42 9.430 -9.796 8.349 1.00 0.00 H new ATOM 0 HB THR A 42 7.750 -7.951 8.851 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.175 -10.689 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.390 -8.309 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.442 -8.158 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.867 -9.761 7.277 1.00 0.00 H new ATOM 670 N GLU A 43 8.326 -11.193 5.889 1.00 0.00 N ATOM 671 CA GLU A 43 7.921 -12.499 5.278 1.00 0.00 C ATOM 672 C GLU A 43 6.510 -12.908 5.722 1.00 0.00 C ATOM 673 O GLU A 43 6.276 -14.038 6.104 1.00 0.00 O ATOM 674 CB GLU A 43 8.952 -13.507 5.784 1.00 0.00 C ATOM 675 CG GLU A 43 10.273 -13.298 5.041 1.00 0.00 C ATOM 676 CD GLU A 43 10.321 -14.218 3.818 1.00 0.00 C ATOM 677 OE1 GLU A 43 10.434 -15.418 4.008 1.00 0.00 O ATOM 678 OE2 GLU A 43 10.242 -13.707 2.713 1.00 0.00 O ATOM 0 H GLU A 43 8.768 -10.537 5.245 1.00 0.00 H new ATOM 0 HA GLU A 43 7.894 -12.442 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.102 -13.384 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.591 -14.523 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.367 -12.257 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.113 -13.511 5.703 1.00 0.00 H new ATOM 685 N ALA A 44 5.568 -12.005 5.673 1.00 0.00 N ATOM 686 CA ALA A 44 4.181 -12.358 6.092 1.00 0.00 C ATOM 687 C ALA A 44 3.192 -11.289 5.626 1.00 0.00 C ATOM 688 O ALA A 44 2.202 -11.590 4.992 1.00 0.00 O ATOM 689 CB ALA A 44 4.229 -12.421 7.615 1.00 0.00 C ATOM 0 H ALA A 44 5.698 -11.042 5.362 1.00 0.00 H new ATOM 0 HA ALA A 44 3.849 -13.301 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.242 -12.676 8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.947 -13.180 7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.533 -11.451 8.010 1.00 0.00 H new ATOM 695 N LEU A 45 3.445 -10.041 5.921 1.00 0.00 N ATOM 696 CA LEU A 45 2.501 -8.987 5.460 1.00 0.00 C ATOM 697 C LEU A 45 2.630 -8.850 3.942 1.00 0.00 C ATOM 698 O LEU A 45 3.335 -8.003 3.430 1.00 0.00 O ATOM 699 CB LEU A 45 2.909 -7.701 6.184 1.00 0.00 C ATOM 700 CG LEU A 45 1.825 -7.344 7.211 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.192 -6.040 7.921 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.481 -7.169 6.501 1.00 0.00 C ATOM 0 H LEU A 45 4.251 -9.712 6.452 1.00 0.00 H new ATOM 0 HA LEU A 45 1.460 -9.221 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.869 -7.837 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.033 -6.888 5.468 1.00 0.00 H new ATOM 0 HG LEU A 45 1.751 -8.148 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.419 -5.792 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.147 -6.161 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.272 -5.237 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.287 -6.916 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.560 -6.369 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.211 -8.098 5.999 1.00 0.00 H new ATOM 714 N PHE A 46 1.949 -9.704 3.232 1.00 0.00 N ATOM 715 CA PHE A 46 2.005 -9.680 1.732 1.00 0.00 C ATOM 716 C PHE A 46 0.658 -9.202 1.177 1.00 0.00 C ATOM 717 O PHE A 46 -0.362 -9.324 1.820 1.00 0.00 O ATOM 718 CB PHE A 46 2.318 -11.129 1.245 1.00 0.00 C ATOM 719 CG PHE A 46 1.915 -12.185 2.261 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.573 -12.338 2.623 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.894 -12.998 2.851 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.206 -13.298 3.573 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.527 -13.961 3.799 1.00 0.00 C ATOM 724 CZ PHE A 46 1.183 -14.110 4.160 1.00 0.00 C ATOM 0 H PHE A 46 1.348 -10.428 3.625 1.00 0.00 H new ATOM 0 HA PHE A 46 2.778 -8.996 1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.795 -11.314 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.385 -11.217 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.182 -11.714 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.931 -12.881 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.831 -13.412 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.281 -14.588 4.251 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.900 -14.852 4.892 1.00 0.00 H new ATOM 734 N VAL A 47 0.641 -8.648 -0.007 1.00 0.00 N ATOM 735 CA VAL A 47 -0.649 -8.158 -0.581 1.00 0.00 C ATOM 736 C VAL A 47 -1.715 -9.256 -0.506 1.00 0.00 C ATOM 737 O VAL A 47 -1.421 -10.403 -0.235 1.00 0.00 O ATOM 738 CB VAL A 47 -0.329 -7.805 -2.034 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.615 -7.397 -2.755 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.665 -6.639 -2.071 1.00 0.00 C ATOM 0 H VAL A 47 1.460 -8.514 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.046 -7.301 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 47 0.108 -8.672 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.387 -7.145 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.324 -8.224 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.051 -6.530 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.893 -6.388 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.228 -5.772 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.582 -6.926 -1.557 1.00 0.00 H new ATOM 750 N GLY A 48 -2.954 -8.910 -0.729 1.00 0.00 N ATOM 751 CA GLY A 48 -4.037 -9.930 -0.656 1.00 0.00 C ATOM 752 C GLY A 48 -4.187 -10.386 0.796 1.00 0.00 C ATOM 753 O GLY A 48 -4.516 -11.522 1.071 1.00 0.00 O ATOM 0 H GLY A 48 -3.262 -7.965 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.975 -9.511 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.799 -10.780 -1.296 1.00 0.00 H new ATOM 757 N ASP A 49 -3.942 -9.503 1.726 1.00 0.00 N ATOM 758 CA ASP A 49 -4.063 -9.878 3.163 1.00 0.00 C ATOM 759 C ASP A 49 -5.209 -9.110 3.820 1.00 0.00 C ATOM 760 O ASP A 49 -5.091 -7.938 4.117 1.00 0.00 O ATOM 761 CB ASP A 49 -2.729 -9.475 3.790 1.00 0.00 C ATOM 762 CG ASP A 49 -1.732 -10.629 3.675 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.114 -11.677 3.177 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.600 -10.444 4.090 1.00 0.00 O ATOM 0 H ASP A 49 -3.663 -8.537 1.552 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.276 -10.939 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.334 -8.590 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.874 -9.211 4.838 1.00 0.00 H new ATOM 769 N ALA A 50 -6.312 -9.760 4.055 1.00 0.00 N ATOM 770 CA ALA A 50 -7.455 -9.062 4.702 1.00 0.00 C ATOM 771 C ALA A 50 -7.229 -8.998 6.213 1.00 0.00 C ATOM 772 O ALA A 50 -7.343 -9.985 6.910 1.00 0.00 O ATOM 773 CB ALA A 50 -8.677 -9.906 4.358 1.00 0.00 C ATOM 0 H ALA A 50 -6.472 -10.742 3.828 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.575 -8.034 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.566 -9.456 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.794 -9.952 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.546 -10.914 4.752 1.00 0.00 H new ATOM 779 N ILE A 51 -6.885 -7.845 6.718 1.00 0.00 N ATOM 780 CA ILE A 51 -6.626 -7.716 8.181 1.00 0.00 C ATOM 781 C ILE A 51 -7.935 -7.682 8.970 1.00 0.00 C ATOM 782 O ILE A 51 -8.876 -7.003 8.610 1.00 0.00 O ATOM 783 CB ILE A 51 -5.880 -6.392 8.337 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.588 -6.438 7.518 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.544 -6.170 9.814 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.815 -5.132 7.708 1.00 0.00 C ATOM 0 H ILE A 51 -6.772 -6.986 6.180 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.055 -8.562 8.563 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.506 -5.574 7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.976 -7.284 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.819 -6.586 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.012 -5.226 9.928 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.465 -6.140 10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.916 -6.986 10.171 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.895 -5.166 7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.427 -4.295 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.571 -5.004 8.763 1.00 0.00 H new ATOM 798 N LEU A 52 -7.991 -8.403 10.055 1.00 0.00 N ATOM 799 CA LEU A 52 -9.227 -8.411 10.888 1.00 0.00 C ATOM 800 C LEU A 52 -8.912 -7.924 12.309 1.00 0.00 C ATOM 801 O LEU A 52 -9.744 -7.988 13.192 1.00 0.00 O ATOM 802 CB LEU A 52 -9.686 -9.869 10.914 1.00 0.00 C ATOM 803 CG LEU A 52 -10.536 -10.171 9.676 1.00 0.00 C ATOM 804 CD1 LEU A 52 -11.766 -9.261 9.660 1.00 0.00 C ATOM 805 CD2 LEU A 52 -9.709 -9.929 8.413 1.00 0.00 C ATOM 0 H LEU A 52 -7.232 -8.989 10.402 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.995 -7.751 10.486 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.821 -10.531 10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.264 -10.061 11.818 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.856 -11.213 9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.368 -9.479 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.360 -9.436 10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.447 -8.219 9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.316 -10.145 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.385 -8.889 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.836 -10.581 8.420 1.00 0.00 H new ATOM 817 N SER A 53 -7.717 -7.433 12.538 1.00 0.00 N ATOM 818 CA SER A 53 -7.354 -6.941 13.897 1.00 0.00 C ATOM 819 C SER A 53 -5.925 -6.394 13.883 1.00 0.00 C ATOM 820 O SER A 53 -5.026 -6.991 13.323 1.00 0.00 O ATOM 821 CB SER A 53 -7.456 -8.156 14.820 1.00 0.00 C ATOM 822 OG SER A 53 -6.919 -7.829 16.093 1.00 0.00 O ATOM 0 H SER A 53 -6.979 -7.353 11.838 1.00 0.00 H new ATOM 0 HA SER A 53 -8.009 -6.136 14.230 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.497 -8.464 14.920 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.915 -8.999 14.391 1.00 0.00 H new ATOM 0 HG SER A 53 -6.986 -8.607 16.686 1.00 0.00 H new ATOM 828 N VAL A 54 -5.708 -5.260 14.489 1.00 0.00 N ATOM 829 CA VAL A 54 -4.337 -4.672 14.505 1.00 0.00 C ATOM 830 C VAL A 54 -3.933 -4.303 15.937 1.00 0.00 C ATOM 831 O VAL A 54 -4.514 -3.436 16.557 1.00 0.00 O ATOM 832 CB VAL A 54 -4.389 -3.412 13.611 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.243 -3.820 12.144 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.709 -2.645 13.785 1.00 0.00 C ATOM 0 H VAL A 54 -6.420 -4.714 14.974 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.598 -5.382 14.135 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.570 -2.758 13.911 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.280 -2.931 11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.289 -4.327 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.056 -4.492 11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.707 -1.766 13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.544 -3.292 13.515 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.814 -2.332 14.824 1.00 0.00 H new ATOM 844 N ASN A 55 -2.932 -4.961 16.465 1.00 0.00 N ATOM 845 CA ASN A 55 -2.474 -4.661 17.857 1.00 0.00 C ATOM 846 C ASN A 55 -3.615 -4.867 18.861 1.00 0.00 C ATOM 847 O ASN A 55 -3.680 -4.209 19.881 1.00 0.00 O ATOM 848 CB ASN A 55 -2.032 -3.199 17.840 1.00 0.00 C ATOM 849 CG ASN A 55 -0.503 -3.128 17.875 1.00 0.00 C ATOM 850 OD1 ASN A 55 0.137 -2.624 16.856 1.00 0.00 O flip ATOM 851 ND2 ASN A 55 0.113 -3.535 18.839 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.409 -5.697 15.990 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.664 -5.323 18.163 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.409 -2.704 16.945 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.451 -2.671 18.697 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.388 -3.929 19.635 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.132 -3.483 18.852 1.00 0.00 H new ATOM 858 N GLY A 56 -4.505 -5.781 18.589 1.00 0.00 N ATOM 859 CA GLY A 56 -5.628 -6.033 19.539 1.00 0.00 C ATOM 860 C GLY A 56 -6.839 -5.174 19.163 1.00 0.00 C ATOM 861 O GLY A 56 -7.708 -4.928 19.976 1.00 0.00 O ATOM 0 H GLY A 56 -4.504 -6.364 17.752 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.901 -7.088 19.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.312 -5.804 20.557 1.00 0.00 H new ATOM 865 N GLU A 57 -6.912 -4.720 17.942 1.00 0.00 N ATOM 866 CA GLU A 57 -8.080 -3.882 17.532 1.00 0.00 C ATOM 867 C GLU A 57 -8.939 -4.636 16.516 1.00 0.00 C ATOM 868 O GLU A 57 -8.743 -4.508 15.329 1.00 0.00 O ATOM 869 CB GLU A 57 -7.470 -2.644 16.879 1.00 0.00 C ATOM 870 CG GLU A 57 -7.044 -1.650 17.961 1.00 0.00 C ATOM 871 CD GLU A 57 -8.000 -0.456 17.963 1.00 0.00 C ATOM 872 OE1 GLU A 57 -9.017 -0.537 18.633 1.00 0.00 O ATOM 873 OE2 GLU A 57 -7.701 0.519 17.293 1.00 0.00 O ATOM 0 H GLU A 57 -6.219 -4.890 17.213 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.720 -3.631 18.378 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.610 -2.927 16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.194 -2.180 16.209 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.049 -2.135 18.937 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.024 -1.312 17.778 1.00 0.00 H new ATOM 880 N ASP A 58 -9.885 -5.420 16.968 1.00 0.00 N ATOM 881 CA ASP A 58 -10.747 -6.187 16.015 1.00 0.00 C ATOM 882 C ASP A 58 -11.244 -5.287 14.877 1.00 0.00 C ATOM 883 O ASP A 58 -12.173 -4.519 15.038 1.00 0.00 O ATOM 884 CB ASP A 58 -11.922 -6.682 16.857 1.00 0.00 C ATOM 885 CG ASP A 58 -12.631 -5.486 17.497 1.00 0.00 C ATOM 886 OD1 ASP A 58 -12.171 -5.035 18.532 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.621 -5.043 16.939 1.00 0.00 O ATOM 0 H ASP A 58 -10.098 -5.563 17.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.201 -7.005 15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.620 -7.241 16.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.568 -7.364 17.630 1.00 0.00 H new ATOM 892 N LEU A 59 -10.631 -5.381 13.726 1.00 0.00 N ATOM 893 CA LEU A 59 -11.066 -4.537 12.576 1.00 0.00 C ATOM 894 C LEU A 59 -12.279 -5.162 11.878 1.00 0.00 C ATOM 895 O LEU A 59 -12.920 -4.532 11.060 1.00 0.00 O ATOM 896 CB LEU A 59 -9.863 -4.502 11.631 1.00 0.00 C ATOM 897 CG LEU A 59 -8.691 -3.801 12.322 1.00 0.00 C ATOM 898 CD1 LEU A 59 -7.503 -3.726 11.363 1.00 0.00 C ATOM 899 CD2 LEU A 59 -9.105 -2.384 12.728 1.00 0.00 C ATOM 0 H LEU A 59 -9.848 -6.006 13.533 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.367 -3.538 12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.579 -5.516 11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.124 -3.977 10.712 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.408 -4.365 13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.669 -3.227 11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.204 -4.734 11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.788 -3.164 10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.269 -1.887 13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.391 -1.820 11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.951 -2.434 13.414 1.00 0.00 H new ATOM 911 N SER A 60 -12.602 -6.392 12.193 1.00 0.00 N ATOM 912 CA SER A 60 -13.780 -7.052 11.545 1.00 0.00 C ATOM 913 C SER A 60 -14.995 -6.120 11.590 1.00 0.00 C ATOM 914 O SER A 60 -15.821 -6.110 10.699 1.00 0.00 O ATOM 915 CB SER A 60 -14.036 -8.309 12.376 1.00 0.00 C ATOM 916 OG SER A 60 -15.397 -8.693 12.247 1.00 0.00 O ATOM 0 H SER A 60 -12.102 -6.968 12.870 1.00 0.00 H new ATOM 0 HA SER A 60 -13.599 -7.288 10.497 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.386 -9.117 12.042 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.798 -8.121 13.423 1.00 0.00 H new ATOM 0 HG SER A 60 -15.561 -9.500 12.779 1.00 0.00 H new ATOM 922 N SER A 61 -15.096 -5.323 12.618 1.00 0.00 N ATOM 923 CA SER A 61 -16.237 -4.373 12.722 1.00 0.00 C ATOM 924 C SER A 61 -15.720 -2.937 12.581 1.00 0.00 C ATOM 925 O SER A 61 -16.346 -1.994 13.022 1.00 0.00 O ATOM 926 CB SER A 61 -16.822 -4.604 14.115 1.00 0.00 C ATOM 927 OG SER A 61 -17.941 -3.751 14.308 1.00 0.00 O ATOM 0 H SER A 61 -14.434 -5.290 13.393 1.00 0.00 H new ATOM 0 HA SER A 61 -16.985 -4.526 11.944 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.122 -5.646 14.226 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.066 -4.407 14.875 1.00 0.00 H new ATOM 0 HG SER A 61 -17.768 -2.884 13.885 1.00 0.00 H new ATOM 933 N ALA A 62 -14.577 -2.770 11.969 1.00 0.00 N ATOM 934 CA ALA A 62 -14.006 -1.405 11.797 1.00 0.00 C ATOM 935 C ALA A 62 -13.994 -1.022 10.317 1.00 0.00 C ATOM 936 O ALA A 62 -13.922 -1.869 9.450 1.00 0.00 O ATOM 937 CB ALA A 62 -12.577 -1.511 12.332 1.00 0.00 C ATOM 0 H ALA A 62 -14.013 -3.525 11.580 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.585 -0.643 12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.082 -0.544 12.242 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.602 -1.810 13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.027 -2.255 11.756 1.00 0.00 H new ATOM 943 N THR A 63 -14.060 0.247 10.019 1.00 0.00 N ATOM 944 CA THR A 63 -14.049 0.677 8.590 1.00 0.00 C ATOM 945 C THR A 63 -12.607 0.837 8.101 1.00 0.00 C ATOM 946 O THR A 63 -11.674 0.800 8.877 1.00 0.00 O ATOM 947 CB THR A 63 -14.776 2.023 8.572 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.389 2.783 9.708 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.287 1.788 8.603 1.00 0.00 C ATOM 0 H THR A 63 -14.121 1.003 10.701 1.00 0.00 H new ATOM 0 HA THR A 63 -14.529 -0.050 7.935 1.00 0.00 H new ATOM 0 HB THR A 63 -14.514 2.567 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.852 3.646 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.805 2.747 8.590 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.582 1.204 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.552 1.245 9.510 1.00 0.00 H new ATOM 957 N HIS A 64 -12.416 1.013 6.820 1.00 0.00 N ATOM 958 CA HIS A 64 -11.029 1.173 6.296 1.00 0.00 C ATOM 959 C HIS A 64 -10.317 2.305 7.048 1.00 0.00 C ATOM 960 O HIS A 64 -9.106 2.326 7.149 1.00 0.00 O ATOM 961 CB HIS A 64 -11.197 1.509 4.805 1.00 0.00 C ATOM 962 CG HIS A 64 -9.872 1.912 4.208 1.00 0.00 C ATOM 963 ND1 HIS A 64 -8.978 2.897 4.543 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -9.326 1.270 3.107 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -7.898 2.872 3.670 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -8.157 1.875 2.824 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.155 1.053 6.118 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.422 0.278 6.431 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.596 0.645 4.273 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.918 2.317 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.759 0.437 2.574 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.034 3.521 3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.544 1.603 2.055 1.00 0.00 H new ATOM 974 N ASP A 65 -11.054 3.243 7.580 1.00 0.00 N ATOM 975 CA ASP A 65 -10.407 4.362 8.322 1.00 0.00 C ATOM 976 C ASP A 65 -9.982 3.891 9.715 1.00 0.00 C ATOM 977 O ASP A 65 -8.955 4.288 10.229 1.00 0.00 O ATOM 978 CB ASP A 65 -11.479 5.445 8.422 1.00 0.00 C ATOM 979 CG ASP A 65 -11.514 6.247 7.119 1.00 0.00 C ATOM 980 OD1 ASP A 65 -10.454 6.472 6.558 1.00 0.00 O ATOM 981 OD2 ASP A 65 -12.598 6.620 6.705 1.00 0.00 O ATOM 0 H ASP A 65 -12.072 3.282 7.533 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.510 4.727 7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.453 4.992 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.267 6.105 9.263 1.00 0.00 H new ATOM 986 N GLU A 66 -10.761 3.043 10.326 1.00 0.00 N ATOM 987 CA GLU A 66 -10.398 2.543 11.681 1.00 0.00 C ATOM 988 C GLU A 66 -9.233 1.555 11.578 1.00 0.00 C ATOM 989 O GLU A 66 -8.502 1.338 12.525 1.00 0.00 O ATOM 990 CB GLU A 66 -11.661 1.849 12.191 1.00 0.00 C ATOM 991 CG GLU A 66 -12.649 2.901 12.702 1.00 0.00 C ATOM 992 CD GLU A 66 -12.190 3.410 14.070 1.00 0.00 C ATOM 993 OE1 GLU A 66 -11.406 2.724 14.705 1.00 0.00 O ATOM 994 OE2 GLU A 66 -12.632 4.479 14.461 1.00 0.00 O ATOM 0 H GLU A 66 -11.633 2.675 9.946 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.076 3.339 12.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.116 1.265 11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.409 1.152 12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.712 3.729 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.648 2.471 12.778 1.00 0.00 H new ATOM 1001 N ALA A 67 -9.052 0.956 10.431 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.931 -0.015 10.263 1.00 0.00 C ATOM 1003 C ALA A 67 -6.623 0.725 9.966 1.00 0.00 C ATOM 1004 O ALA A 67 -5.568 0.349 10.439 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.336 -0.883 9.071 1.00 0.00 C ATOM 0 H ALA A 67 -9.631 1.097 9.603 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.762 -0.607 11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.561 -1.626 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.276 -1.388 9.292 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.460 -0.255 8.189 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.680 1.775 9.190 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.432 2.532 8.873 1.00 0.00 C ATOM 1013 C VAL A 68 -4.989 3.311 10.111 1.00 0.00 C ATOM 1014 O VAL A 68 -3.818 3.560 10.317 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.799 3.499 7.736 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.522 4.118 7.169 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.525 2.763 6.606 1.00 0.00 C ATOM 0 H VAL A 68 -7.532 2.140 8.764 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.615 1.874 8.579 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.456 4.270 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.778 4.805 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.000 4.662 7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.876 3.330 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.774 3.469 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.878 1.982 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.440 2.314 6.993 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.922 3.695 10.942 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.561 4.452 12.173 1.00 0.00 C ATOM 1029 C GLN A 69 -4.654 3.600 13.057 1.00 0.00 C ATOM 1030 O GLN A 69 -3.729 4.092 13.672 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.891 4.732 12.873 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.639 5.526 14.155 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.974 5.823 14.840 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -8.210 6.929 15.284 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -8.865 4.874 14.944 1.00 0.00 N ATOM 0 H GLN A 69 -6.919 3.516 10.820 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.021 5.373 11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.551 5.292 12.211 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.395 3.794 13.107 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.992 4.960 14.825 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.122 6.457 13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.667 3.945 14.571 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.759 5.061 15.398 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.898 2.318 13.114 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.034 1.440 13.944 1.00 0.00 C ATOM 1046 C ALA A 70 -2.673 1.307 13.267 1.00 0.00 C ATOM 1047 O ALA A 70 -1.638 1.508 13.873 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.757 0.098 13.969 1.00 0.00 C ATOM 0 H ALA A 70 -5.656 1.845 12.622 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.867 1.824 14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.184 -0.613 14.564 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.746 0.226 14.409 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.859 -0.279 12.952 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.672 0.982 12.004 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.387 0.849 11.269 1.00 0.00 C ATOM 1056 C LEU A 71 -0.611 2.167 11.356 1.00 0.00 C ATOM 1057 O LEU A 71 0.599 2.194 11.241 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.790 0.531 9.827 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.503 -0.823 9.798 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -3.122 -1.048 8.418 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.496 -1.937 10.096 1.00 0.00 C ATOM 0 H LEU A 71 -3.509 0.803 11.449 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.738 0.074 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.445 1.310 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.909 0.507 9.186 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.290 -0.834 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.629 -2.013 8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.841 -0.256 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.338 -1.036 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.004 -2.901 10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.708 -1.926 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.059 -1.778 11.082 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.296 3.259 11.579 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.588 4.566 11.694 1.00 0.00 C ATOM 1075 C LYS A 72 0.046 4.689 13.084 1.00 0.00 C ATOM 1076 O LYS A 72 1.113 5.248 13.246 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.673 5.627 11.501 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.837 5.923 10.009 1.00 0.00 C ATOM 1079 CD LYS A 72 -2.309 7.366 9.824 1.00 0.00 C ATOM 1080 CE LYS A 72 -3.827 7.386 9.632 1.00 0.00 C ATOM 1081 NZ LYS A 72 -4.030 7.919 8.256 1.00 0.00 N ATOM 0 H LYS A 72 -2.310 3.301 11.686 1.00 0.00 H new ATOM 0 HA LYS A 72 0.213 4.673 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.617 5.277 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.405 6.538 12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.890 5.770 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.557 5.234 9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.034 7.964 10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.817 7.813 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.252 6.388 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.312 8.018 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.048 7.964 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.621 8.873 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.563 7.293 7.569 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.603 4.159 14.087 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.046 4.229 15.467 1.00 0.00 C ATOM 1097 C LYS A 73 -0.081 2.840 16.108 1.00 0.00 C ATOM 1098 O LYS A 73 -0.626 2.650 17.177 1.00 0.00 O ATOM 1099 CB LYS A 73 -0.969 5.191 16.216 1.00 0.00 C ATOM 1100 CG LYS A 73 -0.502 5.318 17.667 1.00 0.00 C ATOM 1101 CD LYS A 73 0.152 6.687 17.873 1.00 0.00 C ATOM 1102 CE LYS A 73 1.046 6.645 19.114 1.00 0.00 C ATOM 1103 NZ LYS A 73 2.367 7.152 18.648 1.00 0.00 N ATOM 0 H LYS A 73 -1.499 3.679 14.008 1.00 0.00 H new ATOM 0 HA LYS A 73 0.990 4.566 15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.962 6.168 15.734 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.996 4.827 16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.348 5.201 18.344 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.207 4.525 17.903 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.741 6.956 16.996 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.614 7.454 17.989 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.643 7.267 19.913 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.128 5.632 19.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.038 7.154 19.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.728 6.536 17.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.258 8.120 18.284 1.00 0.00 H new ATOM 1117 N THR A 74 0.489 1.866 15.455 1.00 0.00 N ATOM 1118 CA THR A 74 0.485 0.484 16.014 1.00 0.00 C ATOM 1119 C THR A 74 1.143 0.463 17.400 1.00 0.00 C ATOM 1120 O THR A 74 0.473 0.540 18.411 1.00 0.00 O ATOM 1121 CB THR A 74 1.292 -0.343 15.011 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.623 0.157 14.954 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.642 -0.245 13.629 1.00 0.00 C ATOM 0 H THR A 74 0.959 1.967 14.555 1.00 0.00 H new ATOM 0 HA THR A 74 -0.523 0.092 16.148 1.00 0.00 H new ATOM 0 HB THR A 74 1.310 -1.387 15.325 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.878 0.301 14.019 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.217 -0.834 12.914 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.377 -0.628 13.678 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.623 0.797 13.309 1.00 0.00 H new ATOM 1131 N GLY A 75 2.444 0.357 17.460 1.00 0.00 N ATOM 1132 CA GLY A 75 3.125 0.329 18.786 1.00 0.00 C ATOM 1133 C GLY A 75 4.460 -0.417 18.662 1.00 0.00 C ATOM 1134 O GLY A 75 4.903 -0.733 17.575 1.00 0.00 O ATOM 0 H GLY A 75 3.062 0.289 16.651 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.296 1.346 19.140 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.489 -0.162 19.523 1.00 0.00 H new ATOM 1138 N LYS A 76 5.107 -0.700 19.766 1.00 0.00 N ATOM 1139 CA LYS A 76 6.416 -1.426 19.713 1.00 0.00 C ATOM 1140 C LYS A 76 6.323 -2.643 18.783 1.00 0.00 C ATOM 1141 O LYS A 76 7.262 -2.980 18.089 1.00 0.00 O ATOM 1142 CB LYS A 76 6.677 -1.871 21.152 1.00 0.00 C ATOM 1143 CG LYS A 76 7.992 -2.650 21.217 1.00 0.00 C ATOM 1144 CD LYS A 76 8.002 -3.526 22.472 1.00 0.00 C ATOM 1145 CE LYS A 76 8.905 -2.890 23.530 1.00 0.00 C ATOM 1146 NZ LYS A 76 9.292 -4.014 24.429 1.00 0.00 N ATOM 0 H LYS A 76 4.785 -0.459 20.704 1.00 0.00 H new ATOM 0 HA LYS A 76 7.217 -0.797 19.324 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.724 -1.003 21.809 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.855 -2.494 21.505 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.105 -3.269 20.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.836 -1.960 21.235 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.989 -3.635 22.861 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.359 -4.526 22.227 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.781 -2.428 23.075 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.381 -2.108 24.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.913 -3.657 25.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.438 -4.430 24.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.795 -4.740 23.880 1.00 0.00 H new ATOM 1160 N GLU A 77 5.195 -3.299 18.760 1.00 0.00 N ATOM 1161 CA GLU A 77 5.037 -4.487 17.871 1.00 0.00 C ATOM 1162 C GLU A 77 3.713 -4.389 17.109 1.00 0.00 C ATOM 1163 O GLU A 77 2.673 -4.139 17.685 1.00 0.00 O ATOM 1164 CB GLU A 77 5.036 -5.695 18.809 1.00 0.00 C ATOM 1165 CG GLU A 77 3.883 -5.573 19.809 1.00 0.00 C ATOM 1166 CD GLU A 77 4.014 -6.666 20.872 1.00 0.00 C ATOM 1167 OE1 GLU A 77 4.858 -6.523 21.740 1.00 0.00 O ATOM 1168 OE2 GLU A 77 3.267 -7.629 20.799 1.00 0.00 O ATOM 0 H GLU A 77 4.375 -3.064 19.319 1.00 0.00 H new ATOM 0 HA GLU A 77 5.831 -4.560 17.128 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.934 -6.615 18.233 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.986 -5.755 19.340 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.897 -4.590 20.279 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.928 -5.665 19.292 1.00 0.00 H new ATOM 1175 N VAL A 78 3.741 -4.568 15.816 1.00 0.00 N ATOM 1176 CA VAL A 78 2.481 -4.464 15.029 1.00 0.00 C ATOM 1177 C VAL A 78 1.839 -5.840 14.827 1.00 0.00 C ATOM 1178 O VAL A 78 1.978 -6.449 13.784 1.00 0.00 O ATOM 1179 CB VAL A 78 2.909 -3.870 13.687 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.704 -3.794 12.748 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.471 -2.465 13.910 1.00 0.00 C ATOM 0 H VAL A 78 4.578 -4.781 15.274 1.00 0.00 H new ATOM 0 HA VAL A 78 1.735 -3.852 15.537 1.00 0.00 H new ATOM 0 HB VAL A 78 3.675 -4.504 13.239 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.013 -3.370 11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.304 -4.795 12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.935 -3.163 13.193 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.777 -2.040 12.954 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.705 -1.834 14.360 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.333 -2.519 14.575 1.00 0.00 H new ATOM 1191 N VAL A 79 1.115 -6.326 15.802 1.00 0.00 N ATOM 1192 CA VAL A 79 0.448 -7.649 15.635 1.00 0.00 C ATOM 1193 C VAL A 79 -0.711 -7.472 14.657 1.00 0.00 C ATOM 1194 O VAL A 79 -1.630 -6.717 14.910 1.00 0.00 O ATOM 1195 CB VAL A 79 -0.070 -8.024 17.027 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.607 -9.457 17.003 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.067 -7.925 18.049 1.00 0.00 C ATOM 0 H VAL A 79 0.958 -5.867 16.699 1.00 0.00 H new ATOM 0 HA VAL A 79 1.111 -8.423 15.247 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.869 -7.338 17.309 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.976 -9.724 17.993 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.421 -9.529 16.281 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.193 -10.140 16.717 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.693 -8.193 19.037 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.869 -8.607 17.768 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.449 -6.904 18.070 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.667 -8.120 13.526 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.759 -7.924 12.532 1.00 0.00 C ATOM 1209 C LEU A 80 -2.416 -9.245 12.131 1.00 0.00 C ATOM 1210 O LEU A 80 -1.852 -10.035 11.399 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.053 -7.296 11.326 1.00 0.00 C ATOM 1212 CG LEU A 80 -1.262 -5.771 11.299 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.995 -5.161 12.679 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.291 -5.152 10.288 1.00 0.00 C ATOM 0 H LEU A 80 0.069 -8.770 13.249 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.563 -7.308 12.934 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.013 -7.520 11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.437 -7.736 10.405 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.294 -5.565 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.149 -4.083 12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.679 -5.596 13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.033 -5.369 12.976 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.432 -4.071 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.734 -5.377 10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.483 -5.567 9.298 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.626 -9.470 12.567 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.338 -10.715 12.163 1.00 0.00 C ATOM 1228 C GLU A 81 -4.680 -10.585 10.680 1.00 0.00 C ATOM 1229 O GLU A 81 -5.204 -9.576 10.253 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.606 -10.755 13.017 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.145 -12.186 13.064 1.00 0.00 C ATOM 1232 CD GLU A 81 -6.305 -12.623 14.522 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -6.682 -11.792 15.330 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -6.048 -13.782 14.803 1.00 0.00 O ATOM 0 H GLU A 81 -4.150 -8.848 13.183 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.754 -11.624 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.389 -10.404 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.359 -10.085 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.104 -12.242 12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.464 -12.860 12.544 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.354 -11.560 9.878 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.631 -11.422 8.419 1.00 0.00 C ATOM 1243 C VAL A 82 -5.384 -12.625 7.847 1.00 0.00 C ATOM 1244 O VAL A 82 -5.164 -13.759 8.217 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.239 -11.290 7.773 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.324 -12.411 8.264 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.348 -11.381 6.254 1.00 0.00 C ATOM 0 H VAL A 82 -3.914 -12.435 10.163 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.276 -10.566 8.219 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.824 -10.322 8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.342 -12.308 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.223 -12.350 9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.753 -13.376 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.356 -11.286 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.778 -12.343 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.988 -10.579 5.886 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.241 -12.360 6.899 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.996 -13.444 6.219 1.00 0.00 C ATOM 1259 C LYS A 83 -6.482 -13.519 4.780 1.00 0.00 C ATOM 1260 O LYS A 83 -7.029 -12.913 3.880 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.464 -13.005 6.262 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.304 -13.911 5.357 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.601 -14.292 6.075 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.323 -15.378 5.277 1.00 0.00 C ATOM 1265 NZ LYS A 83 -11.323 -16.572 6.169 1.00 0.00 N ATOM 0 H LYS A 83 -6.452 -11.420 6.563 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.881 -14.425 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.837 -13.051 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.553 -11.968 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.531 -13.399 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.741 -14.808 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.381 -14.650 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.242 -13.417 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.339 -15.073 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.810 -15.586 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.802 -17.362 5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.343 -16.842 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.824 -16.346 7.052 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.402 -14.216 4.572 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.811 -14.293 3.206 1.00 0.00 C ATOM 1281 C TYR A 84 -5.864 -14.645 2.155 1.00 0.00 C ATOM 1282 O TYR A 84 -6.462 -15.702 2.186 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.754 -15.400 3.282 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.546 -15.082 2.406 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.592 -14.070 1.426 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.367 -15.816 2.584 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.466 -13.802 0.643 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.243 -15.546 1.797 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.291 -14.539 0.828 1.00 0.00 C ATOM 1290 OH TYR A 84 0.819 -14.274 0.052 1.00 0.00 O ATOM 0 H TYR A 84 -4.900 -14.738 5.291 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.389 -13.333 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.432 -15.526 4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.194 -16.346 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.498 -13.501 1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.325 -16.594 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.503 -13.025 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.663 -16.116 1.938 1.00 0.00 H new ATOM 0 HH TYR A 84 1.378 -13.604 0.498 1.00 0.00 H new ATOM 1300 N MET A 85 -6.065 -13.777 1.202 1.00 0.00 N ATOM 1301 CA MET A 85 -7.047 -14.072 0.121 1.00 0.00 C ATOM 1302 C MET A 85 -6.281 -14.526 -1.120 1.00 0.00 C ATOM 1303 O MET A 85 -6.516 -14.063 -2.218 1.00 0.00 O ATOM 1304 CB MET A 85 -7.780 -12.756 -0.142 1.00 0.00 C ATOM 1305 CG MET A 85 -8.597 -12.368 1.091 1.00 0.00 C ATOM 1306 SD MET A 85 -10.235 -13.132 0.994 1.00 0.00 S ATOM 1307 CE MET A 85 -11.197 -11.659 1.418 1.00 0.00 C ATOM 0 H MET A 85 -5.592 -12.877 1.125 1.00 0.00 H new ATOM 0 HA MET A 85 -7.752 -14.859 0.389 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.063 -11.970 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.435 -12.860 -1.007 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.085 -12.693 1.997 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.693 -11.284 1.151 1.00 0.00 H new ATOM 0 HE1 MET A 85 -12.114 -11.957 1.927 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.610 -11.018 2.075 1.00 0.00 H new ATOM 0 HE3 MET A 85 -11.448 -11.114 0.508 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.356 -15.426 -0.937 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.547 -15.922 -2.087 1.00 0.00 C ATOM 1319 C LYS A 86 -5.205 -17.158 -2.706 1.00 0.00 C ATOM 1320 O LYS A 86 -5.472 -18.093 -1.970 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.187 -16.282 -1.483 1.00 0.00 C ATOM 1322 CG LYS A 86 -2.115 -16.239 -2.573 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.477 -14.848 -2.606 1.00 0.00 C ATOM 1324 CE LYS A 86 -1.081 -14.505 -4.043 1.00 0.00 C ATOM 1325 NZ LYS A 86 -0.654 -13.078 -3.991 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.427 -17.148 -3.905 1.00 0.00 O ATOM 0 H LYS A 86 -5.124 -15.842 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.459 -15.181 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.936 -15.584 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.227 -17.276 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.354 -16.995 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.557 -16.471 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.177 -14.106 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.600 -14.823 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.273 -15.147 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.918 -14.643 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.366 -12.767 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.446 -12.491 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.148 -12.979 -3.337 1.00 0.00 H new ATOM 1341 N LYS B 3 -9.891 3.346 -1.541 1.00 0.00 N ATOM 1342 CA LYS B 3 -8.970 4.181 -0.719 1.00 0.00 C ATOM 1343 C LYS B 3 -7.515 3.807 -1.011 1.00 0.00 C ATOM 1344 O LYS B 3 -6.726 4.626 -1.436 1.00 0.00 O ATOM 1345 CB LYS B 3 -9.323 3.851 0.731 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.236 4.941 1.292 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.244 4.863 2.817 1.00 0.00 C ATOM 1348 CE LYS B 3 -11.014 6.053 3.390 1.00 0.00 C ATOM 1349 NZ LYS B 3 -9.972 7.085 3.657 1.00 0.00 N ATOM 0 HA LYS B 3 -9.076 5.244 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.820 2.882 0.784 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -8.415 3.777 1.330 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.889 5.923 0.969 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -11.248 4.817 0.906 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -10.705 3.930 3.141 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.222 4.862 3.196 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -11.761 6.418 2.685 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -11.544 5.780 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -10.324 8.018 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -9.754 7.103 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -9.110 6.855 3.122 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.155 2.574 -0.781 1.00 0.00 N ATOM 1364 CA GLU B 4 -5.751 2.143 -1.040 1.00 0.00 C ATOM 1365 C GLU B 4 -4.776 3.048 -0.280 1.00 0.00 C ATOM 1366 O GLU B 4 -3.824 3.560 -0.839 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.560 2.290 -2.552 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.450 1.347 -3.021 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.286 2.168 -3.583 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -3.551 3.159 -4.243 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -2.152 1.790 -3.344 1.00 0.00 O ATOM 0 H GLU B 4 -7.773 1.845 -0.424 1.00 0.00 H new ATOM 0 HA GLU B 4 -5.562 1.122 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.491 2.060 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.304 3.321 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.107 0.731 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.832 0.669 -3.784 1.00 0.00 H new ATOM 1378 N SER B 5 -5.007 3.253 0.989 1.00 0.00 N ATOM 1379 CA SER B 5 -4.099 4.129 1.785 1.00 0.00 C ATOM 1380 C SER B 5 -2.648 3.655 1.658 1.00 0.00 C ATOM 1381 O SER B 5 -2.348 2.737 0.922 1.00 0.00 O ATOM 1382 CB SER B 5 -4.582 3.990 3.229 1.00 0.00 C ATOM 1383 OG SER B 5 -3.861 4.891 4.057 1.00 0.00 O ATOM 0 H SER B 5 -5.787 2.851 1.510 1.00 0.00 H new ATOM 0 HA SER B 5 -4.123 5.163 1.442 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.650 4.200 3.288 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.438 2.966 3.575 1.00 0.00 H new ATOM 0 HG SER B 5 -3.258 4.386 4.642 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.748 4.276 2.372 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.316 3.862 2.293 1.00 0.00 C ATOM 1391 C LEU B 6 0.391 4.130 3.625 1.00 0.00 C ATOM 1392 O LEU B 6 1.184 5.042 3.742 1.00 0.00 O ATOM 1393 CB LEU B 6 0.288 4.730 1.188 1.00 0.00 C ATOM 1394 CG LEU B 6 1.343 3.928 0.431 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.946 4.797 -0.676 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.444 3.499 1.402 1.00 0.00 C ATOM 0 H LEU B 6 -1.941 5.051 3.006 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.209 2.798 2.084 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.493 5.061 0.503 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.736 5.626 1.618 1.00 0.00 H new ATOM 0 HG LEU B 6 0.884 3.045 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.700 4.225 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.160 5.105 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.408 5.680 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.200 2.926 0.865 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.905 4.383 1.843 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.013 2.882 2.191 1.00 0.00 H new ATOM 1408 N VAL B 7 0.115 3.342 4.629 1.00 0.00 N ATOM 1409 CA VAL B 7 0.780 3.560 5.946 1.00 0.00 C ATOM 1410 C VAL B 7 2.228 3.067 5.894 1.00 0.00 C ATOM 1411 O VAL B 7 3.048 3.617 6.612 1.00 0.00 O ATOM 1412 CB VAL B 7 -0.031 2.734 6.944 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.568 2.895 8.344 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.481 3.220 6.951 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.493 2.150 5.135 1.00 0.00 O ATOM 0 H VAL B 7 -0.539 2.560 4.595 1.00 0.00 H new ATOM 0 HA VAL B 7 0.812 4.614 6.222 1.00 0.00 H new ATOM 0 HB VAL B 7 -0.002 1.684 6.654 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.010 2.306 9.057 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.601 2.548 8.340 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.539 3.945 8.633 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -2.059 2.631 7.663 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.511 4.270 7.241 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.908 3.106 5.955 1.00 0.00 H new