USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -104:sc= -0.0414 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= -0.0414 USER MOD Set 2.1: A 17 SER OG : rot -96:sc= -4.5! USER MOD Set 2.2: A 24 SER OG : rot -24:sc= -3.21! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -4.75! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0026 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0767) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= -8.94! (180deg=-13.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 157:sc= -1.98 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.2! X(o=-4.2!,f=-4.7) USER MOD Single : A 43 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.4) USER MOD Single : A 44 SER OG : rot -43:sc= 0.0748 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.166) USER MOD Single : A 52 SER OG : rot 97:sc= 0.292 USER MOD Single : A 55 SER OG : rot -36:sc= -0.163 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 61 GLN : amide:sc= -7.1! C(o=-7.1!,f=-6.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.0546 (180deg=-0.601) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 11.463 1.647 8.419 1.00 0.00 N ATOM 38 CA PRO A 4 12.028 1.610 7.050 1.00 0.00 C ATOM 39 C PRO A 4 11.386 0.463 6.268 1.00 0.00 C ATOM 40 O PRO A 4 11.256 0.504 5.061 1.00 0.00 O ATOM 41 CB PRO A 4 13.520 1.353 7.258 1.00 0.00 C ATOM 42 CG PRO A 4 13.653 0.690 8.643 1.00 0.00 C ATOM 43 CD PRO A 4 12.369 1.030 9.418 1.00 0.00 C ATOM 0 HA PRO A 4 11.848 2.526 6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.916 0.705 6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.085 2.284 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.773 -0.389 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.533 1.063 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.924 0.136 9.854 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.575 1.716 10.239 1.00 0.00 H new ATOM 51 N SER A 5 10.977 -0.558 6.966 1.00 0.00 N ATOM 52 CA SER A 5 10.330 -1.723 6.305 1.00 0.00 C ATOM 53 C SER A 5 9.052 -1.282 5.610 1.00 0.00 C ATOM 54 O SER A 5 8.425 -0.313 5.981 1.00 0.00 O ATOM 55 CB SER A 5 9.987 -2.765 7.366 1.00 0.00 C ATOM 56 OG SER A 5 11.189 -3.298 7.908 1.00 0.00 O ATOM 0 H SER A 5 11.065 -0.635 7.979 1.00 0.00 H new ATOM 0 HA SER A 5 11.012 -2.145 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.388 -2.312 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.387 -3.563 6.928 1.00 0.00 H new ATOM 0 HG SER A 5 10.972 -3.966 8.591 1.00 0.00 H new ATOM 62 N VAL A 6 8.670 -2.010 4.607 1.00 0.00 N ATOM 63 CA VAL A 6 7.434 -1.690 3.856 1.00 0.00 C ATOM 64 C VAL A 6 6.247 -1.666 4.819 1.00 0.00 C ATOM 65 O VAL A 6 5.560 -2.647 5.022 1.00 0.00 O ATOM 66 CB VAL A 6 7.231 -2.768 2.815 1.00 0.00 C ATOM 67 CG1 VAL A 6 8.356 -2.696 1.783 1.00 0.00 C ATOM 68 CG2 VAL A 6 7.253 -4.131 3.504 1.00 0.00 C ATOM 0 H VAL A 6 9.173 -2.830 4.269 1.00 0.00 H new ATOM 0 HA VAL A 6 7.515 -0.714 3.377 1.00 0.00 H new ATOM 0 HB VAL A 6 6.274 -2.625 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.211 -3.473 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.346 -1.718 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.315 -2.846 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.107 -4.916 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.214 -4.273 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.454 -4.178 4.243 1.00 0.00 H new ATOM 78 N THR A 7 6.022 -0.532 5.395 1.00 0.00 N ATOM 79 CA THR A 7 4.909 -0.326 6.359 1.00 0.00 C ATOM 80 C THR A 7 4.927 1.163 6.682 1.00 0.00 C ATOM 81 O THR A 7 3.922 1.846 6.646 1.00 0.00 O ATOM 82 CB THR A 7 5.143 -1.158 7.624 1.00 0.00 C ATOM 83 OG1 THR A 7 6.531 -1.181 7.924 1.00 0.00 O ATOM 84 CG2 THR A 7 4.642 -2.587 7.396 1.00 0.00 C ATOM 0 H THR A 7 6.587 0.301 5.233 1.00 0.00 H new ATOM 0 HA THR A 7 3.948 -0.637 5.949 1.00 0.00 H new ATOM 0 HB THR A 7 4.600 -0.714 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.682 -1.712 8.734 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.809 -3.179 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.577 -2.567 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.184 -3.034 6.562 1.00 0.00 H new ATOM 92 N GLU A 8 6.101 1.679 6.917 1.00 0.00 N ATOM 93 CA GLU A 8 6.253 3.135 7.150 1.00 0.00 C ATOM 94 C GLU A 8 6.473 3.756 5.769 1.00 0.00 C ATOM 95 O GLU A 8 6.193 4.914 5.528 1.00 0.00 O ATOM 96 CB GLU A 8 7.473 3.392 8.039 1.00 0.00 C ATOM 97 CG GLU A 8 7.546 4.881 8.390 1.00 0.00 C ATOM 98 CD GLU A 8 7.339 5.064 9.895 1.00 0.00 C ATOM 99 OE1 GLU A 8 6.244 4.793 10.359 1.00 0.00 O ATOM 100 OE2 GLU A 8 8.279 5.473 10.556 1.00 0.00 O ATOM 0 H GLU A 8 6.969 1.145 6.957 1.00 0.00 H new ATOM 0 HA GLU A 8 5.382 3.560 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.405 2.796 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.383 3.084 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.513 5.288 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.785 5.433 7.838 1.00 0.00 H new ATOM 107 N LEU A 9 6.962 2.951 4.856 1.00 0.00 N ATOM 108 CA LEU A 9 7.205 3.411 3.461 1.00 0.00 C ATOM 109 C LEU A 9 5.864 3.562 2.744 1.00 0.00 C ATOM 110 O LEU A 9 5.601 4.557 2.100 1.00 0.00 O ATOM 111 CB LEU A 9 8.035 2.364 2.700 1.00 0.00 C ATOM 112 CG LEU A 9 8.899 1.539 3.659 1.00 0.00 C ATOM 113 CD1 LEU A 9 9.897 0.708 2.851 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.663 2.467 4.603 1.00 0.00 C ATOM 0 H LEU A 9 7.206 1.976 5.027 1.00 0.00 H new ATOM 0 HA LEU A 9 7.739 4.361 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.370 1.702 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.672 2.862 1.969 1.00 0.00 H new ATOM 0 HG LEU A 9 8.257 0.881 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.514 0.119 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.356 0.040 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.533 1.372 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.275 1.872 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.305 3.129 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.955 3.062 5.180 1.00 0.00 H new ATOM 126 N ILE A 10 5.013 2.575 2.846 1.00 0.00 N ATOM 127 CA ILE A 10 3.702 2.662 2.167 1.00 0.00 C ATOM 128 C ILE A 10 2.873 3.736 2.856 1.00 0.00 C ATOM 129 O ILE A 10 2.441 4.693 2.246 1.00 0.00 O ATOM 130 CB ILE A 10 2.965 1.329 2.262 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.763 0.241 1.531 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.592 1.490 1.613 1.00 0.00 C ATOM 133 CD1 ILE A 10 2.842 -0.929 1.161 1.00 0.00 C ATOM 0 H ILE A 10 5.176 1.716 3.371 1.00 0.00 H new ATOM 0 HA ILE A 10 3.854 2.906 1.116 1.00 0.00 H new ATOM 0 HB ILE A 10 2.852 1.037 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.217 0.655 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.576 -0.112 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.049 0.547 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.031 2.264 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.715 1.774 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.418 -1.696 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.409 -1.352 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.044 -0.572 0.510 1.00 0.00 H new ATOM 145 N THR A 11 2.660 3.586 4.132 1.00 0.00 N ATOM 146 CA THR A 11 1.874 4.601 4.873 1.00 0.00 C ATOM 147 C THR A 11 2.451 5.980 4.554 1.00 0.00 C ATOM 148 O THR A 11 1.767 6.982 4.609 1.00 0.00 O ATOM 149 CB THR A 11 1.976 4.316 6.373 1.00 0.00 C ATOM 150 OG1 THR A 11 1.280 3.115 6.671 1.00 0.00 O ATOM 151 CG2 THR A 11 1.359 5.470 7.162 1.00 0.00 C ATOM 0 H THR A 11 2.998 2.803 4.692 1.00 0.00 H new ATOM 0 HA THR A 11 0.825 4.567 4.580 1.00 0.00 H new ATOM 0 HB THR A 11 3.025 4.212 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.345 2.929 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.434 5.262 8.229 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.892 6.393 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.310 5.579 6.887 1.00 0.00 H new ATOM 159 N LYS A 12 3.706 6.029 4.198 1.00 0.00 N ATOM 160 CA LYS A 12 4.334 7.330 3.845 1.00 0.00 C ATOM 161 C LYS A 12 3.762 7.782 2.499 1.00 0.00 C ATOM 162 O LYS A 12 3.363 8.918 2.329 1.00 0.00 O ATOM 163 CB LYS A 12 5.855 7.141 3.746 1.00 0.00 C ATOM 164 CG LYS A 12 6.469 8.220 2.852 1.00 0.00 C ATOM 165 CD LYS A 12 7.988 8.226 3.028 1.00 0.00 C ATOM 166 CE LYS A 12 8.628 7.335 1.963 1.00 0.00 C ATOM 167 NZ LYS A 12 10.111 7.438 2.056 1.00 0.00 N ATOM 0 H LYS A 12 4.324 5.220 4.137 1.00 0.00 H new ATOM 0 HA LYS A 12 4.125 8.084 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.299 7.187 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.080 6.154 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.214 8.031 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.059 9.197 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.370 9.243 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.251 7.868 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.315 6.300 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.293 7.638 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.547 6.832 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.401 8.425 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.422 7.129 2.999 1.00 0.00 H new ATOM 181 N ALA A 13 3.700 6.888 1.550 1.00 0.00 N ATOM 182 CA ALA A 13 3.132 7.245 0.221 1.00 0.00 C ATOM 183 C ALA A 13 1.608 7.160 0.296 1.00 0.00 C ATOM 184 O ALA A 13 0.916 7.398 -0.673 1.00 0.00 O ATOM 185 CB ALA A 13 3.636 6.262 -0.839 1.00 0.00 C ATOM 0 H ALA A 13 4.019 5.923 1.639 1.00 0.00 H new ATOM 0 HA ALA A 13 3.441 8.255 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.217 6.528 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.724 6.306 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.326 5.251 -0.574 1.00 0.00 H new ATOM 191 N VAL A 14 1.077 6.819 1.439 1.00 0.00 N ATOM 192 CA VAL A 14 -0.400 6.718 1.570 1.00 0.00 C ATOM 193 C VAL A 14 -1.040 7.969 0.971 1.00 0.00 C ATOM 194 O VAL A 14 -2.171 7.950 0.530 1.00 0.00 O ATOM 195 CB VAL A 14 -0.773 6.604 3.046 1.00 0.00 C ATOM 196 CG1 VAL A 14 -0.462 7.923 3.755 1.00 0.00 C ATOM 197 CG2 VAL A 14 -2.267 6.294 3.174 1.00 0.00 C ATOM 0 H VAL A 14 1.604 6.607 2.286 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.759 5.835 1.041 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.196 5.801 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.728 7.841 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.602 8.142 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.038 8.727 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.533 6.213 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.846 7.095 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.488 5.353 2.671 1.00 0.00 H new ATOM 207 N SER A 15 -0.319 9.057 0.950 1.00 0.00 N ATOM 208 CA SER A 15 -0.879 10.312 0.374 1.00 0.00 C ATOM 209 C SER A 15 -1.603 9.981 -0.932 1.00 0.00 C ATOM 210 O SER A 15 -2.742 10.353 -1.134 1.00 0.00 O ATOM 211 CB SER A 15 0.256 11.301 0.096 1.00 0.00 C ATOM 212 OG SER A 15 1.039 11.460 1.273 1.00 0.00 O ATOM 0 H SER A 15 0.634 9.131 1.307 1.00 0.00 H new ATOM 0 HA SER A 15 -1.579 10.760 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.878 10.938 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.152 12.262 -0.216 1.00 0.00 H new ATOM 0 HG SER A 15 1.768 12.091 1.098 1.00 0.00 H new ATOM 218 N ALA A 16 -0.953 9.274 -1.816 1.00 0.00 N ATOM 219 CA ALA A 16 -1.604 8.906 -3.104 1.00 0.00 C ATOM 220 C ALA A 16 -2.890 8.131 -2.811 1.00 0.00 C ATOM 221 O ALA A 16 -3.928 8.390 -3.387 1.00 0.00 O ATOM 222 CB ALA A 16 -0.654 8.027 -3.921 1.00 0.00 C ATOM 0 H ALA A 16 0.002 8.935 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.839 9.808 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.129 7.757 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.266 8.575 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.422 7.122 -3.359 1.00 0.00 H new ATOM 228 N SER A 17 -2.830 7.183 -1.915 1.00 0.00 N ATOM 229 CA SER A 17 -4.049 6.393 -1.579 1.00 0.00 C ATOM 230 C SER A 17 -5.216 7.349 -1.322 1.00 0.00 C ATOM 231 O SER A 17 -5.026 8.528 -1.098 1.00 0.00 O ATOM 232 CB SER A 17 -3.784 5.558 -0.325 1.00 0.00 C ATOM 233 OG SER A 17 -5.023 5.216 0.282 1.00 0.00 O ATOM 0 H SER A 17 -1.989 6.921 -1.401 1.00 0.00 H new ATOM 0 HA SER A 17 -4.297 5.731 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.232 4.655 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.165 6.119 0.375 1.00 0.00 H new ATOM 0 HG SER A 17 -5.225 5.856 0.996 1.00 0.00 H new ATOM 239 N LYS A 18 -6.423 6.852 -1.351 1.00 0.00 N ATOM 240 CA LYS A 18 -7.599 7.736 -1.108 1.00 0.00 C ATOM 241 C LYS A 18 -7.839 8.622 -2.333 1.00 0.00 C ATOM 242 O LYS A 18 -8.150 9.791 -2.214 1.00 0.00 O ATOM 243 CB LYS A 18 -7.332 8.620 0.112 1.00 0.00 C ATOM 244 CG LYS A 18 -8.662 9.124 0.679 1.00 0.00 C ATOM 245 CD LYS A 18 -8.443 10.470 1.373 1.00 0.00 C ATOM 246 CE LYS A 18 -8.391 11.584 0.325 1.00 0.00 C ATOM 247 NZ LYS A 18 -9.776 11.926 -0.105 1.00 0.00 N ATOM 0 H LYS A 18 -6.645 5.873 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.480 7.120 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.791 8.056 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.701 9.463 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.394 9.230 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.066 8.400 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.249 10.661 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.515 10.450 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.899 12.464 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.801 11.263 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.763 12.817 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.151 11.165 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.383 12.035 0.733 1.00 0.00 H new ATOM 261 N GLU A 19 -7.698 8.076 -3.509 1.00 0.00 N ATOM 262 CA GLU A 19 -7.922 8.886 -4.740 1.00 0.00 C ATOM 263 C GLU A 19 -8.885 8.143 -5.667 1.00 0.00 C ATOM 264 O GLU A 19 -8.646 7.015 -6.050 1.00 0.00 O ATOM 265 CB GLU A 19 -6.588 9.105 -5.457 1.00 0.00 C ATOM 266 CG GLU A 19 -5.771 10.156 -4.705 1.00 0.00 C ATOM 267 CD GLU A 19 -6.318 11.548 -5.024 1.00 0.00 C ATOM 268 OE1 GLU A 19 -6.769 11.743 -6.140 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.277 12.395 -4.146 1.00 0.00 O ATOM 0 H GLU A 19 -7.437 7.103 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.349 9.851 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.034 8.168 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.763 9.431 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.820 9.971 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.722 10.091 -4.992 1.00 0.00 H new ATOM 276 N ARG A 20 -9.974 8.763 -6.031 1.00 0.00 N ATOM 277 CA ARG A 20 -10.947 8.085 -6.931 1.00 0.00 C ATOM 278 C ARG A 20 -11.206 6.667 -6.415 1.00 0.00 C ATOM 279 O ARG A 20 -11.197 5.715 -7.168 1.00 0.00 O ATOM 280 CB ARG A 20 -10.369 8.018 -8.346 1.00 0.00 C ATOM 281 CG ARG A 20 -11.502 8.127 -9.368 1.00 0.00 C ATOM 282 CD ARG A 20 -11.784 6.748 -9.964 1.00 0.00 C ATOM 283 NE ARG A 20 -12.252 6.902 -11.370 1.00 0.00 N ATOM 284 CZ ARG A 20 -11.978 5.981 -12.254 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.768 5.499 -12.341 1.00 0.00 N ATOM 286 NH2 ARG A 20 -12.914 5.545 -13.052 1.00 0.00 N ATOM 0 H ARG A 20 -10.231 9.708 -5.744 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.883 8.644 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.652 8.825 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.829 7.082 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.400 8.520 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.228 8.827 -10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.883 6.136 -9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.540 6.232 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.787 7.727 -11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.036 5.842 -11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.554 4.779 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.859 5.924 -12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.701 4.826 -13.743 1.00 0.00 H new ATOM 300 N LYS A 21 -11.430 6.528 -5.132 1.00 0.00 N ATOM 301 CA LYS A 21 -11.685 5.179 -4.542 1.00 0.00 C ATOM 302 C LYS A 21 -10.794 4.136 -5.221 1.00 0.00 C ATOM 303 O LYS A 21 -11.266 3.258 -5.916 1.00 0.00 O ATOM 304 CB LYS A 21 -13.157 4.794 -4.725 1.00 0.00 C ATOM 305 CG LYS A 21 -13.726 5.466 -5.977 1.00 0.00 C ATOM 306 CD LYS A 21 -15.194 5.069 -6.142 1.00 0.00 C ATOM 307 CE LYS A 21 -16.072 6.321 -6.119 1.00 0.00 C ATOM 308 NZ LYS A 21 -17.382 6.019 -6.763 1.00 0.00 N ATOM 0 H LYS A 21 -11.447 7.298 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.454 5.212 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.250 3.711 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.731 5.095 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.638 6.549 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.155 5.166 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.333 4.533 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.490 4.391 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.227 6.651 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.575 7.137 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.980 6.869 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.225 5.723 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.856 5.253 -6.243 1.00 0.00 H new ATOM 322 N GLY A 22 -9.507 4.228 -5.027 1.00 0.00 N ATOM 323 CA GLY A 22 -8.581 3.247 -5.661 1.00 0.00 C ATOM 324 C GLY A 22 -7.190 3.868 -5.760 1.00 0.00 C ATOM 325 O GLY A 22 -6.725 4.508 -4.837 1.00 0.00 O ATOM 0 H GLY A 22 -9.056 4.942 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.543 2.330 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.943 2.974 -6.652 1.00 0.00 H new ATOM 329 N LEU A 23 -6.521 3.686 -6.867 1.00 0.00 N ATOM 330 CA LEU A 23 -5.157 4.266 -7.015 1.00 0.00 C ATOM 331 C LEU A 23 -4.385 4.052 -5.718 1.00 0.00 C ATOM 332 O LEU A 23 -4.264 4.942 -4.902 1.00 0.00 O ATOM 333 CB LEU A 23 -5.255 5.765 -7.297 1.00 0.00 C ATOM 334 CG LEU A 23 -3.846 6.360 -7.349 1.00 0.00 C ATOM 335 CD1 LEU A 23 -3.656 7.098 -8.674 1.00 0.00 C ATOM 336 CD2 LEU A 23 -3.658 7.341 -6.189 1.00 0.00 C ATOM 0 H LEU A 23 -6.860 3.162 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.644 3.778 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.770 5.937 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.842 6.256 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.112 5.559 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.653 7.523 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.787 6.400 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.392 7.898 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.654 7.763 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.392 8.143 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.794 6.816 -5.243 1.00 0.00 H new ATOM 348 N SER A 24 -3.875 2.877 -5.510 1.00 0.00 N ATOM 349 CA SER A 24 -3.129 2.618 -4.254 1.00 0.00 C ATOM 350 C SER A 24 -2.285 1.357 -4.411 1.00 0.00 C ATOM 351 O SER A 24 -1.079 1.406 -4.379 1.00 0.00 O ATOM 352 CB SER A 24 -4.125 2.426 -3.119 1.00 0.00 C ATOM 353 OG SER A 24 -3.925 3.435 -2.140 1.00 0.00 O ATOM 0 H SER A 24 -3.941 2.087 -6.152 1.00 0.00 H new ATOM 0 HA SER A 24 -2.475 3.461 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.144 2.473 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.998 1.440 -2.672 1.00 0.00 H new ATOM 0 HG SER A 24 -3.005 3.769 -2.198 1.00 0.00 H new ATOM 359 N LEU A 25 -2.902 0.224 -4.581 1.00 0.00 N ATOM 360 CA LEU A 25 -2.105 -1.022 -4.740 1.00 0.00 C ATOM 361 C LEU A 25 -1.201 -0.875 -5.971 1.00 0.00 C ATOM 362 O LEU A 25 -0.068 -1.313 -5.976 1.00 0.00 O ATOM 363 CB LEU A 25 -3.053 -2.221 -4.911 1.00 0.00 C ATOM 364 CG LEU A 25 -2.375 -3.335 -5.721 1.00 0.00 C ATOM 365 CD1 LEU A 25 -1.177 -3.883 -4.944 1.00 0.00 C ATOM 366 CD2 LEU A 25 -3.377 -4.465 -5.970 1.00 0.00 C ATOM 0 H LEU A 25 -3.915 0.106 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.489 -1.190 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.346 -2.602 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.965 -1.901 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.033 -2.930 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.699 -4.673 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.461 -3.080 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.516 -4.286 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.897 -5.257 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.718 -4.866 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.230 -4.078 -6.527 1.00 0.00 H new ATOM 378 N ALA A 26 -1.697 -0.266 -7.017 1.00 0.00 N ATOM 379 CA ALA A 26 -0.867 -0.099 -8.246 1.00 0.00 C ATOM 380 C ALA A 26 -0.333 1.335 -8.317 1.00 0.00 C ATOM 381 O ALA A 26 0.173 1.774 -9.331 1.00 0.00 O ATOM 382 CB ALA A 26 -1.721 -0.392 -9.482 1.00 0.00 C ATOM 0 H ALA A 26 -2.639 0.122 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.027 -0.793 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.115 -0.270 -10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.094 -1.415 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.562 0.300 -9.515 1.00 0.00 H new ATOM 388 N ALA A 27 -0.432 2.059 -7.240 1.00 0.00 N ATOM 389 CA ALA A 27 0.078 3.459 -7.216 1.00 0.00 C ATOM 390 C ALA A 27 0.893 3.640 -5.939 1.00 0.00 C ATOM 391 O ALA A 27 2.089 3.835 -5.974 1.00 0.00 O ATOM 392 CB ALA A 27 -1.098 4.434 -7.218 1.00 0.00 C ATOM 0 H ALA A 27 -0.848 1.739 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 27 0.696 3.654 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.722 5.457 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.695 4.282 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.717 4.259 -6.338 1.00 0.00 H new ATOM 398 N LEU A 28 0.245 3.559 -4.811 1.00 0.00 N ATOM 399 CA LEU A 28 0.962 3.695 -3.513 1.00 0.00 C ATOM 400 C LEU A 28 2.064 2.642 -3.439 1.00 0.00 C ATOM 401 O LEU A 28 3.160 2.924 -3.024 1.00 0.00 O ATOM 402 CB LEU A 28 -0.043 3.471 -2.355 1.00 0.00 C ATOM 403 CG LEU A 28 0.649 2.810 -1.140 1.00 0.00 C ATOM 404 CD1 LEU A 28 1.463 3.856 -0.388 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.388 2.215 -0.193 1.00 0.00 C ATOM 0 H LEU A 28 -0.760 3.403 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 28 1.400 4.690 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.477 4.425 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.864 2.841 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 28 1.301 2.015 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.951 3.391 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.219 4.276 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.803 4.651 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.117 1.754 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.051 3.004 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.972 1.461 -0.721 1.00 0.00 H new ATOM 417 N LYS A 29 1.778 1.427 -3.823 1.00 0.00 N ATOM 418 CA LYS A 29 2.811 0.362 -3.739 1.00 0.00 C ATOM 419 C LYS A 29 3.720 0.449 -4.965 1.00 0.00 C ATOM 420 O LYS A 29 4.369 -0.497 -5.337 1.00 0.00 O ATOM 421 CB LYS A 29 2.147 -1.023 -3.628 1.00 0.00 C ATOM 422 CG LYS A 29 1.898 -1.384 -2.134 1.00 0.00 C ATOM 423 CD LYS A 29 1.046 -0.320 -1.430 1.00 0.00 C ATOM 424 CE LYS A 29 -0.082 0.175 -2.347 1.00 0.00 C ATOM 425 NZ LYS A 29 -1.397 0.023 -1.664 1.00 0.00 N ATOM 0 H LYS A 29 0.874 1.129 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 29 3.416 0.505 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.203 -1.026 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.784 -1.777 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.399 -2.351 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.854 -1.485 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.621 -0.735 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.676 0.520 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.083 1.220 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.079 -0.391 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.003 0.836 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.856 -0.853 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.251 -0.020 -0.635 1.00 0.00 H new ATOM 439 N LYS A 30 3.791 1.608 -5.563 1.00 0.00 N ATOM 440 CA LYS A 30 4.687 1.828 -6.724 1.00 0.00 C ATOM 441 C LYS A 30 5.608 3.006 -6.365 1.00 0.00 C ATOM 442 O LYS A 30 6.429 3.434 -7.151 1.00 0.00 O ATOM 443 CB LYS A 30 3.863 2.178 -7.968 1.00 0.00 C ATOM 444 CG LYS A 30 2.798 1.105 -8.202 1.00 0.00 C ATOM 445 CD LYS A 30 3.474 -0.249 -8.425 1.00 0.00 C ATOM 446 CE LYS A 30 2.634 -1.087 -9.390 1.00 0.00 C ATOM 447 NZ LYS A 30 2.327 -2.404 -8.766 1.00 0.00 N ATOM 0 H LYS A 30 3.251 2.427 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 30 5.264 0.929 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.390 3.152 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.515 2.252 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.127 1.051 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.189 1.366 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.476 -0.105 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.586 -0.772 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.709 -0.563 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.173 -1.233 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.756 -2.974 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.214 -2.904 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.796 -2.255 -7.884 1.00 0.00 H new ATOM 461 N ALA A 31 5.469 3.526 -5.161 1.00 0.00 N ATOM 462 CA ALA A 31 6.312 4.665 -4.711 1.00 0.00 C ATOM 463 C ALA A 31 7.364 4.130 -3.741 1.00 0.00 C ATOM 464 O ALA A 31 8.395 4.735 -3.522 1.00 0.00 O ATOM 465 CB ALA A 31 5.428 5.689 -3.988 1.00 0.00 C ATOM 0 H ALA A 31 4.795 3.197 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 31 6.795 5.141 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.040 6.527 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.658 6.050 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.957 5.218 -3.125 1.00 0.00 H new ATOM 471 N LEU A 32 7.104 2.986 -3.166 1.00 0.00 N ATOM 472 CA LEU A 32 8.075 2.380 -2.211 1.00 0.00 C ATOM 473 C LEU A 32 9.279 1.905 -2.953 1.00 0.00 C ATOM 474 O LEU A 32 10.277 1.534 -2.368 1.00 0.00 O ATOM 475 CB LEU A 32 7.414 1.210 -1.490 1.00 0.00 C ATOM 476 CG LEU A 32 6.186 1.713 -0.743 1.00 0.00 C ATOM 477 CD1 LEU A 32 6.428 3.146 -0.283 1.00 0.00 C ATOM 478 CD2 LEU A 32 4.961 1.683 -1.641 1.00 0.00 C ATOM 0 H LEU A 32 6.255 2.442 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 32 8.381 3.127 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.129 0.440 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.116 0.753 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 32 6.011 1.064 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.551 3.509 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.294 3.175 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.612 3.780 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.095 2.046 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.130 2.320 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.777 0.661 -1.972 1.00 0.00 H new ATOM 490 N ALA A 33 9.204 1.939 -4.235 1.00 0.00 N ATOM 491 CA ALA A 33 10.366 1.525 -5.045 1.00 0.00 C ATOM 492 C ALA A 33 11.641 2.080 -4.383 1.00 0.00 C ATOM 493 O ALA A 33 12.716 1.532 -4.516 1.00 0.00 O ATOM 494 CB ALA A 33 10.235 2.083 -6.465 1.00 0.00 C ATOM 0 H ALA A 33 8.385 2.237 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 33 10.415 0.438 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.096 1.774 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.323 1.701 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.193 3.171 -6.426 1.00 0.00 H new ATOM 500 N ALA A 34 11.511 3.177 -3.661 1.00 0.00 N ATOM 501 CA ALA A 34 12.688 3.782 -2.972 1.00 0.00 C ATOM 502 C ALA A 34 13.884 3.726 -3.903 1.00 0.00 C ATOM 503 O ALA A 34 15.022 3.681 -3.481 1.00 0.00 O ATOM 504 CB ALA A 34 12.996 3.000 -1.694 1.00 0.00 C ATOM 0 H ALA A 34 10.632 3.676 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 34 12.470 4.818 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.856 3.445 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.132 3.034 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.219 1.963 -1.947 1.00 0.00 H new ATOM 510 N GLY A 35 13.621 3.724 -5.171 1.00 0.00 N ATOM 511 CA GLY A 35 14.734 3.658 -6.164 1.00 0.00 C ATOM 512 C GLY A 35 15.139 2.194 -6.363 1.00 0.00 C ATOM 513 O GLY A 35 14.983 1.640 -7.432 1.00 0.00 O ATOM 0 H GLY A 35 12.684 3.765 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.419 4.094 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.586 4.240 -5.813 1.00 0.00 H new ATOM 517 N GLY A 36 15.634 1.553 -5.334 1.00 0.00 N ATOM 518 CA GLY A 36 16.018 0.118 -5.465 1.00 0.00 C ATOM 519 C GLY A 36 14.736 -0.697 -5.410 1.00 0.00 C ATOM 520 O GLY A 36 14.377 -1.387 -6.345 1.00 0.00 O ATOM 0 H GLY A 36 15.788 1.962 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.544 -0.055 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.694 -0.174 -4.662 1.00 0.00 H new ATOM 524 N TYR A 37 14.016 -0.574 -4.331 1.00 0.00 N ATOM 525 CA TYR A 37 12.717 -1.282 -4.209 1.00 0.00 C ATOM 526 C TYR A 37 11.973 -1.070 -5.523 1.00 0.00 C ATOM 527 O TYR A 37 12.082 -0.018 -6.121 1.00 0.00 O ATOM 528 CB TYR A 37 11.939 -0.634 -3.042 1.00 0.00 C ATOM 529 CG TYR A 37 12.106 -1.448 -1.780 1.00 0.00 C ATOM 530 CD1 TYR A 37 13.100 -2.435 -1.691 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.268 -1.205 -0.687 1.00 0.00 C ATOM 532 CE1 TYR A 37 13.249 -3.172 -0.513 1.00 0.00 C ATOM 533 CE2 TYR A 37 11.419 -1.943 0.490 1.00 0.00 C ATOM 534 CZ TYR A 37 12.411 -2.926 0.578 1.00 0.00 C ATOM 535 OH TYR A 37 12.558 -3.655 1.742 1.00 0.00 O ATOM 0 H TYR A 37 14.276 -0.008 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 37 12.837 -2.348 -4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.298 0.382 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.882 -0.561 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.750 -2.625 -2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.503 -0.446 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.013 -3.933 -0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.770 -1.755 1.332 1.00 0.00 H new ATOM 0 HH TYR A 37 12.183 -3.150 2.494 1.00 0.00 H new ATOM 545 N ASP A 38 11.231 -2.022 -6.014 1.00 0.00 N ATOM 546 CA ASP A 38 10.534 -1.754 -7.285 1.00 0.00 C ATOM 547 C ASP A 38 9.195 -2.470 -7.295 1.00 0.00 C ATOM 548 O ASP A 38 8.577 -2.594 -8.332 1.00 0.00 O ATOM 549 CB ASP A 38 11.400 -2.219 -8.466 1.00 0.00 C ATOM 550 CG ASP A 38 11.451 -1.120 -9.528 1.00 0.00 C ATOM 551 OD1 ASP A 38 10.598 -1.124 -10.401 1.00 0.00 O ATOM 552 OD2 ASP A 38 12.345 -0.292 -9.453 1.00 0.00 O ATOM 0 H ASP A 38 11.084 -2.943 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 38 10.361 -0.682 -7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.407 -2.453 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.989 -3.133 -8.894 1.00 0.00 H new ATOM 557 N VAL A 39 8.741 -2.977 -6.160 1.00 0.00 N ATOM 558 CA VAL A 39 7.451 -3.701 -6.150 1.00 0.00 C ATOM 559 C VAL A 39 7.472 -4.653 -7.335 1.00 0.00 C ATOM 560 O VAL A 39 6.460 -5.054 -7.876 1.00 0.00 O ATOM 561 CB VAL A 39 6.307 -2.693 -6.240 1.00 0.00 C ATOM 562 CG1 VAL A 39 6.607 -1.519 -5.301 1.00 0.00 C ATOM 563 CG2 VAL A 39 6.175 -2.169 -7.670 1.00 0.00 C ATOM 0 H VAL A 39 9.214 -2.913 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 39 7.302 -4.269 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 39 5.375 -3.180 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.797 -0.792 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.697 -1.885 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.541 -1.044 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.356 -1.451 -7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.104 -1.681 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.971 -3.000 -8.345 1.00 0.00 H new ATOM 573 N GLU A 40 8.665 -5.013 -7.711 1.00 0.00 N ATOM 574 CA GLU A 40 8.897 -5.937 -8.824 1.00 0.00 C ATOM 575 C GLU A 40 9.895 -6.953 -8.301 1.00 0.00 C ATOM 576 O GLU A 40 9.579 -8.103 -8.071 1.00 0.00 O ATOM 577 CB GLU A 40 9.488 -5.166 -10.001 1.00 0.00 C ATOM 578 CG GLU A 40 8.970 -5.757 -11.313 1.00 0.00 C ATOM 579 CD GLU A 40 8.006 -4.769 -11.974 1.00 0.00 C ATOM 580 OE1 GLU A 40 8.335 -3.596 -12.025 1.00 0.00 O ATOM 581 OE2 GLU A 40 6.955 -5.204 -12.416 1.00 0.00 O ATOM 0 H GLU A 40 9.519 -4.682 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 40 7.982 -6.418 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.216 -4.113 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.576 -5.217 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.804 -5.970 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.464 -6.703 -11.123 1.00 0.00 H new ATOM 588 N LYS A 41 11.081 -6.496 -8.020 1.00 0.00 N ATOM 589 CA LYS A 41 12.091 -7.381 -7.403 1.00 0.00 C ATOM 590 C LYS A 41 11.808 -7.340 -5.895 1.00 0.00 C ATOM 591 O LYS A 41 12.316 -8.129 -5.122 1.00 0.00 O ATOM 592 CB LYS A 41 13.497 -6.851 -7.704 1.00 0.00 C ATOM 593 CG LYS A 41 14.547 -7.727 -7.016 1.00 0.00 C ATOM 594 CD LYS A 41 15.761 -6.870 -6.653 1.00 0.00 C ATOM 595 CE LYS A 41 16.882 -7.769 -6.132 1.00 0.00 C ATOM 596 NZ LYS A 41 17.482 -7.158 -4.912 1.00 0.00 N ATOM 0 H LYS A 41 11.392 -5.540 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 41 12.039 -8.399 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.668 -6.842 -8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.588 -5.821 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.127 -8.181 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.846 -8.542 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.102 -6.315 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.488 -6.135 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.491 -8.760 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.645 -7.899 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.245 -7.769 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.869 -6.222 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.751 -7.056 -4.179 1.00 0.00 H new ATOM 610 N ASN A 42 10.948 -6.426 -5.488 1.00 0.00 N ATOM 611 CA ASN A 42 10.554 -6.304 -4.072 1.00 0.00 C ATOM 612 C ASN A 42 9.027 -6.351 -4.040 1.00 0.00 C ATOM 613 O ASN A 42 8.400 -5.971 -3.072 1.00 0.00 O ATOM 614 CB ASN A 42 11.035 -4.962 -3.513 1.00 0.00 C ATOM 615 CG ASN A 42 12.562 -4.921 -3.507 1.00 0.00 C ATOM 616 OD1 ASN A 42 13.193 -5.287 -2.536 1.00 0.00 O ATOM 617 ND2 ASN A 42 13.182 -4.480 -4.566 1.00 0.00 N ATOM 0 H ASN A 42 10.501 -5.750 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 42 10.991 -7.102 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.643 -4.144 -4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.654 -4.822 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.201 -4.441 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.648 -4.174 -5.379 1.00 0.00 H new ATOM 624 N ASN A 43 8.427 -6.821 -5.110 1.00 0.00 N ATOM 625 CA ASN A 43 6.946 -6.913 -5.158 1.00 0.00 C ATOM 626 C ASN A 43 6.536 -7.990 -4.168 1.00 0.00 C ATOM 627 O ASN A 43 5.509 -7.916 -3.528 1.00 0.00 O ATOM 628 CB ASN A 43 6.489 -7.283 -6.586 1.00 0.00 C ATOM 629 CG ASN A 43 6.342 -8.803 -6.743 1.00 0.00 C ATOM 630 OD1 ASN A 43 5.243 -9.313 -6.831 1.00 0.00 O ATOM 631 ND2 ASN A 43 7.412 -9.548 -6.783 1.00 0.00 N ATOM 0 H ASN A 43 8.907 -7.144 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 43 6.482 -5.961 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.537 -6.798 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.211 -6.908 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.326 -10.559 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.335 -9.120 -6.709 1.00 0.00 H new ATOM 638 N SER A 44 7.358 -8.987 -4.033 1.00 0.00 N ATOM 639 CA SER A 44 7.049 -10.068 -3.079 1.00 0.00 C ATOM 640 C SER A 44 7.063 -9.483 -1.676 1.00 0.00 C ATOM 641 O SER A 44 6.612 -10.105 -0.735 1.00 0.00 O ATOM 642 CB SER A 44 8.105 -11.165 -3.183 1.00 0.00 C ATOM 643 OG SER A 44 7.715 -12.272 -2.381 1.00 0.00 O ATOM 0 H SER A 44 8.233 -9.096 -4.546 1.00 0.00 H new ATOM 0 HA SER A 44 6.072 -10.496 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.221 -11.477 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.073 -10.786 -2.854 1.00 0.00 H new ATOM 0 HG SER A 44 7.365 -11.948 -1.525 1.00 0.00 H new ATOM 649 N ARG A 45 7.563 -8.281 -1.512 1.00 0.00 N ATOM 650 CA ARG A 45 7.562 -7.704 -0.146 1.00 0.00 C ATOM 651 C ARG A 45 6.566 -6.545 -0.085 1.00 0.00 C ATOM 652 O ARG A 45 6.254 -6.047 0.976 1.00 0.00 O ATOM 653 CB ARG A 45 8.982 -7.274 0.276 1.00 0.00 C ATOM 654 CG ARG A 45 9.059 -5.764 0.515 1.00 0.00 C ATOM 655 CD ARG A 45 10.471 -5.396 0.967 1.00 0.00 C ATOM 656 NE ARG A 45 10.441 -4.961 2.393 1.00 0.00 N ATOM 657 CZ ARG A 45 10.835 -5.778 3.333 1.00 0.00 C ATOM 658 NH1 ARG A 45 10.146 -6.856 3.592 1.00 0.00 N ATOM 659 NH2 ARG A 45 11.916 -5.516 4.015 1.00 0.00 N ATOM 0 H ARG A 45 7.959 -7.695 -2.247 1.00 0.00 H new ATOM 0 HA ARG A 45 7.245 -8.464 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.269 -7.803 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.695 -7.559 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.805 -5.226 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.333 -5.466 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.136 -6.252 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.868 -4.597 0.341 1.00 0.00 H new ATOM 0 HE ARG A 45 10.113 -4.026 2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.300 -7.060 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.454 -7.494 4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.454 -4.673 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.223 -6.154 4.749 1.00 0.00 H new ATOM 673 N ILE A 46 6.036 -6.131 -1.202 1.00 0.00 N ATOM 674 CA ILE A 46 5.032 -5.037 -1.163 1.00 0.00 C ATOM 675 C ILE A 46 3.657 -5.679 -0.990 1.00 0.00 C ATOM 676 O ILE A 46 2.842 -5.202 -0.248 1.00 0.00 O ATOM 677 CB ILE A 46 5.076 -4.202 -2.457 1.00 0.00 C ATOM 678 CG1 ILE A 46 5.750 -2.861 -2.158 1.00 0.00 C ATOM 679 CG2 ILE A 46 3.641 -3.924 -2.955 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.242 -2.958 -2.462 1.00 0.00 C ATOM 0 H ILE A 46 6.252 -6.499 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 46 5.247 -4.361 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 46 5.629 -4.752 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.297 -2.073 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.598 -2.592 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.682 -3.333 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.136 -4.869 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.091 -3.373 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.720 -2.002 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.690 -3.734 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.384 -3.207 -3.514 1.00 0.00 H new ATOM 692 N LYS A 47 3.404 -6.766 -1.668 1.00 0.00 N ATOM 693 CA LYS A 47 2.085 -7.442 -1.521 1.00 0.00 C ATOM 694 C LYS A 47 1.973 -7.982 -0.094 1.00 0.00 C ATOM 695 O LYS A 47 0.929 -8.426 0.338 1.00 0.00 O ATOM 696 CB LYS A 47 1.985 -8.599 -2.515 1.00 0.00 C ATOM 697 CG LYS A 47 1.218 -8.142 -3.756 1.00 0.00 C ATOM 698 CD LYS A 47 1.046 -9.324 -4.711 1.00 0.00 C ATOM 699 CE LYS A 47 -0.099 -9.032 -5.683 1.00 0.00 C ATOM 700 NZ LYS A 47 0.463 -8.640 -7.006 1.00 0.00 N ATOM 0 H LYS A 47 4.053 -7.214 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 47 1.280 -6.735 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.982 -8.938 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.478 -9.446 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.243 -7.747 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.756 -7.334 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.970 -9.497 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.836 -10.233 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.732 -9.912 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.728 -8.233 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.314 -8.441 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.050 -7.789 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.046 -9.416 -7.379 1.00 0.00 H new ATOM 714 N LEU A 48 3.049 -7.921 0.643 1.00 0.00 N ATOM 715 CA LEU A 48 3.040 -8.394 2.047 1.00 0.00 C ATOM 716 C LEU A 48 2.951 -7.153 2.924 1.00 0.00 C ATOM 717 O LEU A 48 2.095 -7.035 3.778 1.00 0.00 O ATOM 718 CB LEU A 48 4.339 -9.159 2.329 1.00 0.00 C ATOM 719 CG LEU A 48 4.615 -9.193 3.831 1.00 0.00 C ATOM 720 CD1 LEU A 48 4.795 -10.644 4.284 1.00 0.00 C ATOM 721 CD2 LEU A 48 5.892 -8.407 4.133 1.00 0.00 C ATOM 0 H LEU A 48 3.946 -7.557 0.321 1.00 0.00 H new ATOM 0 HA LEU A 48 2.203 -9.064 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.262 -10.175 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.170 -8.682 1.810 1.00 0.00 H new ATOM 0 HG LEU A 48 3.776 -8.745 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.992 -10.669 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.887 -11.208 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.634 -11.090 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.089 -8.431 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.730 -8.856 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.768 -7.373 3.810 1.00 0.00 H new ATOM 733 N GLY A 49 3.810 -6.203 2.677 1.00 0.00 N ATOM 734 CA GLY A 49 3.759 -4.942 3.445 1.00 0.00 C ATOM 735 C GLY A 49 2.591 -4.117 2.907 1.00 0.00 C ATOM 736 O GLY A 49 2.294 -3.058 3.407 1.00 0.00 O ATOM 0 H GLY A 49 4.546 -6.252 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.625 -5.146 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.695 -4.393 3.341 1.00 0.00 H new ATOM 740 N LEU A 50 1.904 -4.618 1.904 1.00 0.00 N ATOM 741 CA LEU A 50 0.733 -3.881 1.359 1.00 0.00 C ATOM 742 C LEU A 50 -0.498 -4.483 2.004 1.00 0.00 C ATOM 743 O LEU A 50 -1.217 -3.836 2.740 1.00 0.00 O ATOM 744 CB LEU A 50 0.619 -4.023 -0.167 1.00 0.00 C ATOM 745 CG LEU A 50 -0.762 -3.516 -0.634 1.00 0.00 C ATOM 746 CD1 LEU A 50 -1.204 -2.350 0.232 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.692 -3.037 -2.084 1.00 0.00 C ATOM 0 H LEU A 50 2.109 -5.505 1.445 1.00 0.00 H new ATOM 0 HA LEU A 50 0.840 -2.818 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.410 -3.454 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.751 -5.066 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.472 -4.339 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.179 -1.997 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.272 -2.674 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.478 -1.541 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.674 -2.683 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.030 -2.224 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.382 -3.862 -2.725 1.00 0.00 H new ATOM 759 N LYS A 51 -0.712 -5.748 1.782 1.00 0.00 N ATOM 760 CA LYS A 51 -1.854 -6.410 2.440 1.00 0.00 C ATOM 761 C LYS A 51 -1.708 -6.127 3.932 1.00 0.00 C ATOM 762 O LYS A 51 -2.655 -6.173 4.682 1.00 0.00 O ATOM 763 CB LYS A 51 -1.797 -7.917 2.182 1.00 0.00 C ATOM 764 CG LYS A 51 -2.724 -8.639 3.159 1.00 0.00 C ATOM 765 CD LYS A 51 -4.174 -8.275 2.844 1.00 0.00 C ATOM 766 CE LYS A 51 -5.055 -8.611 4.048 1.00 0.00 C ATOM 767 NZ LYS A 51 -5.007 -10.079 4.302 1.00 0.00 N ATOM 0 H LYS A 51 -0.146 -6.343 1.177 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.806 -6.042 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.095 -8.132 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.775 -8.278 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.583 -9.717 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.481 -8.358 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.251 -7.214 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.515 -8.823 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.711 -8.067 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.082 -8.297 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.752 -10.339 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.158 -10.591 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.078 -10.333 4.694 1.00 0.00 H new ATOM 781 N SER A 52 -0.506 -5.815 4.356 1.00 0.00 N ATOM 782 CA SER A 52 -0.269 -5.503 5.786 1.00 0.00 C ATOM 783 C SER A 52 -0.350 -3.995 5.998 1.00 0.00 C ATOM 784 O SER A 52 -0.727 -3.556 7.058 1.00 0.00 O ATOM 785 CB SER A 52 1.109 -6.011 6.208 1.00 0.00 C ATOM 786 OG SER A 52 1.056 -7.421 6.383 1.00 0.00 O ATOM 0 H SER A 52 0.322 -5.765 3.762 1.00 0.00 H new ATOM 0 HA SER A 52 -1.029 -5.995 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.851 -5.754 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.419 -5.529 7.135 1.00 0.00 H new ATOM 0 HG SER A 52 1.384 -7.864 5.573 1.00 0.00 H new ATOM 792 N LEU A 53 -0.032 -3.176 5.020 1.00 0.00 N ATOM 793 CA LEU A 53 -0.170 -1.718 5.276 1.00 0.00 C ATOM 794 C LEU A 53 -1.661 -1.430 5.382 1.00 0.00 C ATOM 795 O LEU A 53 -2.167 -1.059 6.423 1.00 0.00 O ATOM 796 CB LEU A 53 0.423 -0.893 4.133 1.00 0.00 C ATOM 797 CG LEU A 53 0.719 0.518 4.639 1.00 0.00 C ATOM 798 CD1 LEU A 53 -0.549 1.129 5.237 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.807 0.445 5.711 1.00 0.00 C ATOM 0 H LEU A 53 0.303 -3.445 4.095 1.00 0.00 H new ATOM 0 HA LEU A 53 0.365 -1.448 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.337 -1.361 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.274 -0.854 3.296 1.00 0.00 H new ATOM 0 HG LEU A 53 1.058 1.140 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.333 2.135 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.326 1.175 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.893 0.513 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.024 1.448 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.462 -0.177 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.711 0.011 5.283 1.00 0.00 H new ATOM 811 N VAL A 54 -2.369 -1.613 4.305 1.00 0.00 N ATOM 812 CA VAL A 54 -3.840 -1.367 4.326 1.00 0.00 C ATOM 813 C VAL A 54 -4.519 -2.223 5.403 1.00 0.00 C ATOM 814 O VAL A 54 -5.178 -1.711 6.283 1.00 0.00 O ATOM 815 CB VAL A 54 -4.413 -1.741 2.970 1.00 0.00 C ATOM 816 CG1 VAL A 54 -5.942 -1.760 3.035 1.00 0.00 C ATOM 817 CG2 VAL A 54 -3.957 -0.721 1.935 1.00 0.00 C ATOM 0 H VAL A 54 -1.994 -1.923 3.408 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.021 -0.315 4.548 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.059 -2.733 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.344 -2.029 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.266 -2.492 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.306 -0.772 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.366 -0.985 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.310 0.270 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.868 -0.717 1.883 1.00 0.00 H new ATOM 827 N SER A 55 -4.396 -3.522 5.317 1.00 0.00 N ATOM 828 CA SER A 55 -5.067 -4.408 6.322 1.00 0.00 C ATOM 829 C SER A 55 -4.587 -4.089 7.742 1.00 0.00 C ATOM 830 O SER A 55 -5.333 -4.227 8.691 1.00 0.00 O ATOM 831 CB SER A 55 -4.769 -5.872 6.009 1.00 0.00 C ATOM 832 OG SER A 55 -5.791 -6.688 6.566 1.00 0.00 O ATOM 0 H SER A 55 -3.862 -4.009 4.597 1.00 0.00 H new ATOM 0 HA SER A 55 -6.141 -4.229 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.715 -6.022 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.799 -6.153 6.419 1.00 0.00 H new ATOM 0 HG SER A 55 -6.082 -6.309 7.421 1.00 0.00 H new ATOM 838 N LYS A 56 -3.360 -3.662 7.908 1.00 0.00 N ATOM 839 CA LYS A 56 -2.877 -3.336 9.289 1.00 0.00 C ATOM 840 C LYS A 56 -3.952 -2.514 9.976 1.00 0.00 C ATOM 841 O LYS A 56 -4.104 -2.524 11.181 1.00 0.00 O ATOM 842 CB LYS A 56 -1.601 -2.492 9.228 1.00 0.00 C ATOM 843 CG LYS A 56 -0.392 -3.347 9.610 1.00 0.00 C ATOM 844 CD LYS A 56 0.009 -3.041 11.056 1.00 0.00 C ATOM 845 CE LYS A 56 -0.917 -3.795 12.012 1.00 0.00 C ATOM 846 NZ LYS A 56 -1.347 -2.886 13.112 1.00 0.00 N ATOM 0 H LYS A 56 -2.679 -3.526 7.161 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.669 -4.261 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.469 -2.089 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.684 -1.642 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.632 -4.405 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.441 -3.140 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.044 -3.335 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.053 -1.969 11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.788 -4.167 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.402 -4.663 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.976 -3.400 13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.511 -2.551 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.854 -2.071 12.711 1.00 0.00 H new ATOM 860 N GLY A 57 -4.691 -1.794 9.192 1.00 0.00 N ATOM 861 CA GLY A 57 -5.772 -0.937 9.748 1.00 0.00 C ATOM 862 C GLY A 57 -5.440 0.528 9.478 1.00 0.00 C ATOM 863 O GLY A 57 -6.297 1.388 9.531 1.00 0.00 O ATOM 0 H GLY A 57 -4.594 -1.760 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.728 -1.196 9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.873 -1.108 10.820 1.00 0.00 H new ATOM 867 N THR A 58 -4.207 0.819 9.165 1.00 0.00 N ATOM 868 CA THR A 58 -3.841 2.225 8.869 1.00 0.00 C ATOM 869 C THR A 58 -4.606 2.629 7.619 1.00 0.00 C ATOM 870 O THR A 58 -5.541 3.400 7.670 1.00 0.00 O ATOM 871 CB THR A 58 -2.333 2.328 8.614 1.00 0.00 C ATOM 872 OG1 THR A 58 -1.703 1.113 8.995 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.754 3.483 9.434 1.00 0.00 C ATOM 0 H THR A 58 -3.444 0.145 9.103 1.00 0.00 H new ATOM 0 HA THR A 58 -4.089 2.878 9.706 1.00 0.00 H new ATOM 0 HB THR A 58 -2.156 2.511 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.739 1.179 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.682 3.556 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.236 4.415 9.140 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.931 3.301 10.494 1.00 0.00 H new ATOM 881 N LEU A 59 -4.221 2.088 6.500 1.00 0.00 N ATOM 882 CA LEU A 59 -4.909 2.401 5.238 1.00 0.00 C ATOM 883 C LEU A 59 -6.033 1.392 5.001 1.00 0.00 C ATOM 884 O LEU A 59 -5.977 0.586 4.095 1.00 0.00 O ATOM 885 CB LEU A 59 -3.889 2.325 4.118 1.00 0.00 C ATOM 886 CG LEU A 59 -4.549 2.639 2.776 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.399 3.906 2.888 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.459 2.854 1.727 1.00 0.00 C ATOM 0 H LEU A 59 -3.445 1.432 6.414 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.347 3.398 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.079 3.030 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.445 1.330 4.088 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.191 1.807 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.864 4.119 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.174 3.759 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.766 4.744 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.919 3.079 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.823 3.686 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.856 1.950 1.638 1.00 0.00 H new ATOM 900 N VAL A 60 -7.051 1.428 5.817 1.00 0.00 N ATOM 901 CA VAL A 60 -8.177 0.464 5.644 1.00 0.00 C ATOM 902 C VAL A 60 -8.850 0.691 4.293 1.00 0.00 C ATOM 903 O VAL A 60 -9.427 1.728 4.032 1.00 0.00 O ATOM 904 CB VAL A 60 -9.205 0.634 6.764 1.00 0.00 C ATOM 905 CG1 VAL A 60 -8.778 -0.204 7.968 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.294 2.107 7.166 1.00 0.00 C ATOM 0 H VAL A 60 -7.153 2.081 6.594 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.776 -0.549 5.685 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.183 0.302 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.507 -0.087 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.722 -1.254 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.800 0.130 8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.027 2.223 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.320 2.448 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.598 2.702 6.305 1.00 0.00 H new ATOM 916 N GLN A 61 -8.769 -0.281 3.435 1.00 0.00 N ATOM 917 CA GLN A 61 -9.389 -0.158 2.082 1.00 0.00 C ATOM 918 C GLN A 61 -10.704 -0.944 2.037 1.00 0.00 C ATOM 919 O GLN A 61 -11.328 -1.194 3.049 1.00 0.00 O ATOM 920 CB GLN A 61 -8.431 -0.736 1.037 1.00 0.00 C ATOM 921 CG GLN A 61 -8.248 -2.233 1.295 1.00 0.00 C ATOM 922 CD GLN A 61 -7.043 -2.748 0.505 1.00 0.00 C ATOM 923 OE1 GLN A 61 -6.394 -3.690 0.913 1.00 0.00 O ATOM 924 NE2 GLN A 61 -6.718 -2.169 -0.618 1.00 0.00 N ATOM 0 H GLN A 61 -8.296 -1.167 3.611 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.587 0.893 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.827 -0.573 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.469 -0.226 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.101 -2.413 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.147 -2.775 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.263 -1.378 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.919 -2.507 -1.154 1.00 0.00 H new ATOM 933 N THR A 62 -11.121 -1.339 0.863 1.00 0.00 N ATOM 934 CA THR A 62 -12.384 -2.115 0.730 1.00 0.00 C ATOM 935 C THR A 62 -12.231 -3.118 -0.416 1.00 0.00 C ATOM 936 O THR A 62 -13.021 -3.150 -1.338 1.00 0.00 O ATOM 937 CB THR A 62 -13.543 -1.161 0.429 1.00 0.00 C ATOM 938 OG1 THR A 62 -13.103 -0.157 -0.475 1.00 0.00 O ATOM 939 CG2 THR A 62 -14.019 -0.507 1.728 1.00 0.00 C ATOM 0 H THR A 62 -10.635 -1.155 -0.015 1.00 0.00 H new ATOM 0 HA THR A 62 -12.592 -2.646 1.659 1.00 0.00 H new ATOM 0 HB THR A 62 -14.367 -1.718 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.956 0.681 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.844 0.172 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.355 -1.278 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.197 0.051 2.177 1.00 0.00 H new ATOM 1018 N GLY A 69 -11.264 -2.356 -4.236 1.00 0.00 N ATOM 1019 CA GLY A 69 -10.855 -1.647 -2.988 1.00 0.00 C ATOM 1020 C GLY A 69 -10.626 -0.167 -3.307 1.00 0.00 C ATOM 1021 O GLY A 69 -10.731 0.252 -4.443 1.00 0.00 O ATOM 0 HA2 GLY A 69 -11.626 -1.753 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.945 -2.090 -2.584 1.00 0.00 H new ATOM 1025 N SER A 70 -10.321 0.632 -2.321 1.00 0.00 N ATOM 1026 CA SER A 70 -10.094 2.083 -2.588 1.00 0.00 C ATOM 1027 C SER A 70 -9.165 2.677 -1.524 1.00 0.00 C ATOM 1028 O SER A 70 -9.090 3.880 -1.375 1.00 0.00 O ATOM 1029 CB SER A 70 -11.436 2.817 -2.552 1.00 0.00 C ATOM 1030 OG SER A 70 -12.301 2.166 -1.631 1.00 0.00 O ATOM 0 H SER A 70 -10.219 0.346 -1.347 1.00 0.00 H new ATOM 0 HA SER A 70 -9.632 2.197 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.288 3.856 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.885 2.828 -3.545 1.00 0.00 H new ATOM 0 HG SER A 70 -13.162 2.634 -1.604 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.464 1.834 -0.796 1.00 0.00 N ATOM 1037 CA PHE A 71 -7.525 2.305 0.279 1.00 0.00 C ATOM 1038 C PHE A 71 -7.894 3.715 0.742 1.00 0.00 C ATOM 1039 O PHE A 71 -7.289 4.684 0.332 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.072 2.342 -0.219 1.00 0.00 C ATOM 1041 CG PHE A 71 -5.766 1.202 -1.159 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.501 1.012 -2.336 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -4.712 0.339 -0.847 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -6.178 -0.044 -3.191 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -4.389 -0.712 -1.705 1.00 0.00 C ATOM 1046 CZ PHE A 71 -5.124 -0.903 -2.876 1.00 0.00 C ATOM 0 H PHE A 71 -8.504 0.821 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.614 1.597 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.887 3.289 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.395 2.299 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.314 1.679 -2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.146 0.486 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.745 -0.196 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.572 -1.376 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.876 -1.718 -3.540 1.00 0.00 H new ATOM 1056 N ARG A 72 -8.861 3.847 1.600 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.218 5.206 2.081 1.00 0.00 C ATOM 1058 C ARG A 72 -8.197 5.592 3.140 1.00 0.00 C ATOM 1059 O ARG A 72 -7.244 6.296 2.873 1.00 0.00 O ATOM 1060 CB ARG A 72 -10.622 5.191 2.689 1.00 0.00 C ATOM 1061 CG ARG A 72 -11.583 5.938 1.763 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.927 5.210 1.726 1.00 0.00 C ATOM 1063 NE ARG A 72 -13.530 5.212 3.088 1.00 0.00 N ATOM 1064 CZ ARG A 72 -14.508 6.031 3.369 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -14.251 7.269 3.692 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -15.742 5.611 3.326 1.00 0.00 N ATOM 0 H ARG A 72 -9.415 3.082 1.986 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.212 5.922 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.959 4.164 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.609 5.659 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.721 6.961 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.163 5.999 0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.598 5.698 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.789 4.186 1.379 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.179 4.573 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.286 7.598 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.015 7.908 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.943 4.643 3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.506 6.250 3.545 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.364 5.075 4.324 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.393 5.338 5.420 1.00 0.00 C ATOM 1082 C LEU A 73 -8.046 5.009 6.754 1.00 0.00 C ATOM 1083 O LEU A 73 -9.212 4.676 6.819 1.00 0.00 O ATOM 1084 CB LEU A 73 -6.905 6.799 5.440 1.00 0.00 C ATOM 1085 CG LEU A 73 -5.349 6.899 5.453 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -4.662 5.558 5.722 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -4.856 7.395 4.109 1.00 0.00 C ATOM 0 H LEU A 73 -9.145 4.472 4.582 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.522 4.706 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.294 7.322 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.307 7.303 6.319 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.098 7.587 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.581 5.696 5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.976 5.177 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.940 4.845 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.768 7.463 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.166 6.700 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.279 8.379 3.907 1.00 0.00 H new ATOM 1099 N SER A 74 -7.302 5.087 7.819 1.00 0.00 N ATOM 1100 CA SER A 74 -7.870 4.754 9.145 1.00 0.00 C ATOM 1101 C SER A 74 -9.279 5.346 9.275 1.00 0.00 C ATOM 1102 O SER A 74 -10.260 4.631 9.317 1.00 0.00 O ATOM 1103 CB SER A 74 -6.970 5.319 10.244 1.00 0.00 C ATOM 1104 OG SER A 74 -7.724 5.473 11.438 1.00 0.00 O ATOM 0 H SER A 74 -6.322 5.368 7.825 1.00 0.00 H new ATOM 0 HA SER A 74 -7.929 3.670 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.126 4.651 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.558 6.280 9.934 1.00 0.00 H new ATOM 0 HG SER A 74 -7.148 5.834 12.144 1.00 0.00 H new ATOM 1110 N LYS A 75 -9.386 6.647 9.335 1.00 0.00 N ATOM 1111 CA LYS A 75 -10.730 7.282 9.457 1.00 0.00 C ATOM 1112 C LYS A 75 -11.334 6.952 10.824 1.00 0.00 C ATOM 1113 O LYS A 75 -12.432 7.412 11.090 1.00 0.00 O ATOM 1114 CB LYS A 75 -11.647 6.750 8.352 1.00 0.00 C ATOM 1115 CG LYS A 75 -12.796 7.734 8.118 1.00 0.00 C ATOM 1116 CD LYS A 75 -12.257 9.005 7.460 1.00 0.00 C ATOM 1117 CE LYS A 75 -12.589 10.215 8.337 1.00 0.00 C ATOM 1118 NZ LYS A 75 -14.068 10.329 8.492 1.00 0.00 N ATOM 1119 OXT LYS A 75 -10.688 6.246 11.581 1.00 0.00 O ATOM 0 H LYS A 75 -8.601 7.297 9.305 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.629 8.363 9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.081 6.612 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.043 5.774 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.555 7.278 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.277 7.979 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.178 8.927 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.696 9.129 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.118 10.109 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.189 11.124 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.333 11.332 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.537 9.904 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.366 9.830 9.355 1.00 0.00 H new