USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 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 Single : A 5 SER OG : rot 180:sc= -2.71! USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 103:sc= 1.04 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= -0.281 (180deg=-1.74!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 135:sc= -1.36 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -6.74! (180deg=-7.38!) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0381 (180deg=-0.425) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -9.79! C(o=-9.8!,f=-9.3!) USER MOD Single : A 43 ASN : amide:sc= 0.0865 X(o=0.086,f=0) USER MOD Single : A 44 SER OG : rot -100:sc= -0.259! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0.139 USER MOD Single : A 61 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.48) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 70 SER OG : rot 43:sc= 0.924 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 -10.067 1.933 9.226 1.00 0.00 N ATOM 38 CA PRO A 4 -10.115 0.455 9.218 1.00 0.00 C ATOM 39 C PRO A 4 -9.893 -0.075 7.800 1.00 0.00 C ATOM 40 O PRO A 4 -9.909 -1.266 7.562 1.00 0.00 O ATOM 41 CB PRO A 4 -11.525 0.116 9.702 1.00 0.00 C ATOM 42 CG PRO A 4 -12.389 1.360 9.419 1.00 0.00 C ATOM 43 CD PRO A 4 -11.418 2.542 9.264 1.00 0.00 C ATOM 0 HA PRO A 4 -9.343 0.008 9.845 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.916 -0.757 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.524 -0.123 10.765 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.981 1.223 8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.090 1.539 10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.623 3.103 8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.512 3.240 10.096 1.00 0.00 H new ATOM 51 N SER A 5 -9.687 0.801 6.856 1.00 0.00 N ATOM 52 CA SER A 5 -9.468 0.348 5.455 1.00 0.00 C ATOM 53 C SER A 5 -8.467 1.280 4.769 1.00 0.00 C ATOM 54 O SER A 5 -8.189 2.364 5.241 1.00 0.00 O ATOM 55 CB SER A 5 -10.796 0.377 4.706 1.00 0.00 C ATOM 56 OG SER A 5 -11.139 -0.943 4.304 1.00 0.00 O ATOM 0 H SER A 5 -9.661 1.811 6.995 1.00 0.00 H new ATOM 0 HA SER A 5 -9.072 -0.667 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.577 0.789 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.721 1.027 3.834 1.00 0.00 H new ATOM 0 HG SER A 5 -11.993 -0.927 3.824 1.00 0.00 H new ATOM 62 N VAL A 6 -7.922 0.865 3.657 1.00 0.00 N ATOM 63 CA VAL A 6 -6.937 1.717 2.945 1.00 0.00 C ATOM 64 C VAL A 6 -5.786 2.025 3.925 1.00 0.00 C ATOM 65 O VAL A 6 -5.299 3.130 4.050 1.00 0.00 O ATOM 66 CB VAL A 6 -7.657 2.985 2.475 1.00 0.00 C ATOM 67 CG1 VAL A 6 -6.667 4.130 2.268 1.00 0.00 C ATOM 68 CG2 VAL A 6 -8.369 2.696 1.151 1.00 0.00 C ATOM 0 H VAL A 6 -8.120 -0.031 3.213 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.516 1.225 2.068 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.376 3.279 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.203 5.019 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.158 4.345 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.933 3.845 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.884 3.595 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.637 2.392 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.094 1.895 1.295 1.00 0.00 H new ATOM 78 N THR A 7 -5.371 1.013 4.626 1.00 0.00 N ATOM 79 CA THR A 7 -4.277 1.119 5.631 1.00 0.00 C ATOM 80 C THR A 7 -4.261 -0.241 6.306 1.00 0.00 C ATOM 81 O THR A 7 -3.236 -0.874 6.472 1.00 0.00 O ATOM 82 CB THR A 7 -4.564 2.228 6.657 1.00 0.00 C ATOM 83 OG1 THR A 7 -4.193 1.778 7.954 1.00 0.00 O ATOM 84 CG2 THR A 7 -6.051 2.584 6.648 1.00 0.00 C ATOM 0 H THR A 7 -5.762 0.075 4.540 1.00 0.00 H new ATOM 0 HA THR A 7 -3.322 1.377 5.173 1.00 0.00 H new ATOM 0 HB THR A 7 -3.986 3.114 6.394 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.374 2.484 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.241 3.370 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.335 2.934 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.638 1.702 6.903 1.00 0.00 H new ATOM 92 N GLU A 8 -5.435 -0.723 6.607 1.00 0.00 N ATOM 93 CA GLU A 8 -5.581 -2.082 7.174 1.00 0.00 C ATOM 94 C GLU A 8 -5.767 -3.000 5.967 1.00 0.00 C ATOM 95 O GLU A 8 -5.335 -4.136 5.940 1.00 0.00 O ATOM 96 CB GLU A 8 -6.819 -2.136 8.074 1.00 0.00 C ATOM 97 CG GLU A 8 -6.880 -3.492 8.775 1.00 0.00 C ATOM 98 CD GLU A 8 -6.138 -3.406 10.110 1.00 0.00 C ATOM 99 OE1 GLU A 8 -5.038 -2.878 10.121 1.00 0.00 O ATOM 100 OE2 GLU A 8 -6.682 -3.870 11.099 1.00 0.00 O ATOM 0 H GLU A 8 -6.312 -0.218 6.479 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.722 -2.374 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.781 -1.335 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.720 -1.980 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.918 -3.782 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.431 -4.260 8.145 1.00 0.00 H new ATOM 107 N LEU A 9 -6.389 -2.462 4.946 1.00 0.00 N ATOM 108 CA LEU A 9 -6.612 -3.206 3.678 1.00 0.00 C ATOM 109 C LEU A 9 -5.260 -3.382 2.992 1.00 0.00 C ATOM 110 O LEU A 9 -4.902 -4.452 2.539 1.00 0.00 O ATOM 111 CB LEU A 9 -7.515 -2.353 2.774 1.00 0.00 C ATOM 112 CG LEU A 9 -8.983 -2.347 3.259 1.00 0.00 C ATOM 113 CD1 LEU A 9 -9.864 -3.009 2.206 1.00 0.00 C ATOM 114 CD2 LEU A 9 -9.144 -3.095 4.590 1.00 0.00 C ATOM 0 H LEU A 9 -6.759 -1.512 4.945 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.074 -4.175 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.138 -1.331 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.472 -2.736 1.754 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.282 -1.310 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.900 -3.007 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.787 -2.458 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.536 -4.037 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.189 -3.069 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.828 -4.131 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.529 -2.617 5.353 1.00 0.00 H new ATOM 126 N ILE A 10 -4.508 -2.319 2.931 1.00 0.00 N ATOM 127 CA ILE A 10 -3.169 -2.360 2.305 1.00 0.00 C ATOM 128 C ILE A 10 -2.332 -3.396 3.013 1.00 0.00 C ATOM 129 O ILE A 10 -1.738 -4.246 2.399 1.00 0.00 O ATOM 130 CB ILE A 10 -2.494 -1.017 2.525 1.00 0.00 C ATOM 131 CG1 ILE A 10 -3.253 0.060 1.767 1.00 0.00 C ATOM 132 CG2 ILE A 10 -1.043 -1.079 2.041 1.00 0.00 C ATOM 133 CD1 ILE A 10 -2.364 1.290 1.622 1.00 0.00 C ATOM 0 H ILE A 10 -4.777 -1.406 3.299 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.265 -2.590 1.244 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.499 -0.778 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.548 -0.309 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.169 0.319 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.564 -0.113 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.506 -1.847 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.024 -1.321 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.903 2.066 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.092 1.661 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.461 1.023 1.073 1.00 0.00 H new ATOM 145 N THR A 11 -2.270 -3.275 4.313 1.00 0.00 N ATOM 146 CA THR A 11 -1.462 -4.197 5.154 1.00 0.00 C ATOM 147 C THR A 11 -1.870 -5.646 4.883 1.00 0.00 C ATOM 148 O THR A 11 -1.046 -6.538 4.871 1.00 0.00 O ATOM 149 CB THR A 11 -1.701 -3.822 6.617 1.00 0.00 C ATOM 150 OG1 THR A 11 -1.383 -2.449 6.802 1.00 0.00 O ATOM 151 CG2 THR A 11 -0.815 -4.670 7.525 1.00 0.00 C ATOM 0 H THR A 11 -2.762 -2.552 4.839 1.00 0.00 H new ATOM 0 HA THR A 11 -0.401 -4.107 4.919 1.00 0.00 H new ATOM 0 HB THR A 11 -2.746 -4.001 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.210 -1.926 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.992 -4.396 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.051 -5.724 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.232 -4.496 7.277 1.00 0.00 H new ATOM 159 N LYS A 12 -3.124 -5.896 4.622 1.00 0.00 N ATOM 160 CA LYS A 12 -3.532 -7.292 4.302 1.00 0.00 C ATOM 161 C LYS A 12 -2.696 -7.737 3.090 1.00 0.00 C ATOM 162 O LYS A 12 -2.541 -8.907 2.807 1.00 0.00 O ATOM 163 CB LYS A 12 -5.046 -7.315 3.988 1.00 0.00 C ATOM 164 CG LYS A 12 -5.324 -7.961 2.622 1.00 0.00 C ATOM 165 CD LYS A 12 -6.787 -8.400 2.550 1.00 0.00 C ATOM 166 CE LYS A 12 -6.860 -9.889 2.207 1.00 0.00 C ATOM 167 NZ LYS A 12 -6.745 -10.064 0.731 1.00 0.00 N ATOM 0 H LYS A 12 -3.874 -5.205 4.616 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.358 -7.972 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.573 -7.866 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.437 -6.298 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.107 -7.253 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.669 -8.819 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.281 -8.211 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.316 -7.817 1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.059 -10.429 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.801 -10.309 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.794 -11.076 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.524 -9.561 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.836 -9.677 0.405 1.00 0.00 H new ATOM 181 N ALA A 13 -2.165 -6.777 2.384 1.00 0.00 N ATOM 182 CA ALA A 13 -1.330 -7.048 1.183 1.00 0.00 C ATOM 183 C ALA A 13 0.138 -6.705 1.483 1.00 0.00 C ATOM 184 O ALA A 13 1.029 -7.077 0.746 1.00 0.00 O ATOM 185 CB ALA A 13 -1.818 -6.155 0.033 1.00 0.00 C ATOM 0 H ALA A 13 -2.280 -5.786 2.598 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.411 -8.101 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.214 -6.343 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.862 -6.379 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.724 -5.108 0.320 1.00 0.00 H new ATOM 191 N VAL A 14 0.399 -5.979 2.544 1.00 0.00 N ATOM 192 CA VAL A 14 1.812 -5.601 2.857 1.00 0.00 C ATOM 193 C VAL A 14 2.567 -6.784 3.473 1.00 0.00 C ATOM 194 O VAL A 14 3.740 -6.979 3.219 1.00 0.00 O ATOM 195 CB VAL A 14 1.849 -4.417 3.832 1.00 0.00 C ATOM 196 CG1 VAL A 14 0.849 -3.359 3.404 1.00 0.00 C ATOM 197 CG2 VAL A 14 1.561 -4.901 5.259 1.00 0.00 C ATOM 0 H VAL A 14 -0.300 -5.634 3.202 1.00 0.00 H new ATOM 0 HA VAL A 14 2.295 -5.316 1.922 1.00 0.00 H new ATOM 0 HB VAL A 14 2.844 -3.972 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.883 -2.523 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.098 -3.006 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.153 -3.787 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.590 -4.053 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.574 -5.363 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.314 -5.631 5.554 1.00 0.00 H new ATOM 207 N SER A 15 1.919 -7.561 4.297 1.00 0.00 N ATOM 208 CA SER A 15 2.622 -8.708 4.942 1.00 0.00 C ATOM 209 C SER A 15 2.195 -10.029 4.297 1.00 0.00 C ATOM 210 O SER A 15 2.846 -11.042 4.457 1.00 0.00 O ATOM 211 CB SER A 15 2.278 -8.734 6.431 1.00 0.00 C ATOM 212 OG SER A 15 1.090 -7.984 6.650 1.00 0.00 O ATOM 0 H SER A 15 0.937 -7.453 4.551 1.00 0.00 H new ATOM 0 HA SER A 15 3.697 -8.585 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.140 -9.762 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.099 -8.316 7.013 1.00 0.00 H new ATOM 0 HG SER A 15 0.865 -7.999 7.604 1.00 0.00 H new ATOM 218 N ALA A 16 1.111 -10.037 3.573 1.00 0.00 N ATOM 219 CA ALA A 16 0.662 -11.305 2.933 1.00 0.00 C ATOM 220 C ALA A 16 0.931 -11.246 1.428 1.00 0.00 C ATOM 221 O ALA A 16 0.195 -11.798 0.635 1.00 0.00 O ATOM 222 CB ALA A 16 -0.835 -11.500 3.178 1.00 0.00 C ATOM 0 H ALA A 16 0.519 -9.225 3.397 1.00 0.00 H new ATOM 0 HA ALA A 16 1.212 -12.141 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.163 -12.428 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.025 -11.548 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.386 -10.663 2.749 1.00 0.00 H new ATOM 228 N SER A 17 1.980 -10.581 1.029 1.00 0.00 N ATOM 229 CA SER A 17 2.294 -10.491 -0.424 1.00 0.00 C ATOM 230 C SER A 17 3.804 -10.625 -0.634 1.00 0.00 C ATOM 231 O SER A 17 4.596 -10.168 0.166 1.00 0.00 O ATOM 232 CB SER A 17 1.824 -9.140 -0.964 1.00 0.00 C ATOM 233 OG SER A 17 1.692 -9.221 -2.377 1.00 0.00 O ATOM 0 H SER A 17 2.632 -10.097 1.646 1.00 0.00 H new ATOM 0 HA SER A 17 1.782 -11.294 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.870 -8.867 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.538 -8.360 -0.698 1.00 0.00 H new ATOM 0 HG SER A 17 1.389 -8.357 -2.727 1.00 0.00 H new ATOM 239 N LYS A 18 4.206 -11.248 -1.707 1.00 0.00 N ATOM 240 CA LYS A 18 5.662 -11.414 -1.977 1.00 0.00 C ATOM 241 C LYS A 18 6.043 -10.582 -3.205 1.00 0.00 C ATOM 242 O LYS A 18 6.079 -11.078 -4.313 1.00 0.00 O ATOM 243 CB LYS A 18 5.970 -12.891 -2.248 1.00 0.00 C ATOM 244 CG LYS A 18 4.993 -13.774 -1.466 1.00 0.00 C ATOM 245 CD LYS A 18 5.107 -15.221 -1.952 1.00 0.00 C ATOM 246 CE LYS A 18 4.150 -15.442 -3.126 1.00 0.00 C ATOM 247 NZ LYS A 18 2.763 -15.090 -2.709 1.00 0.00 N ATOM 0 H LYS A 18 3.587 -11.651 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 18 6.234 -11.079 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.890 -13.099 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.995 -13.118 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.212 -13.720 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.973 -13.414 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.131 -15.433 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.869 -15.908 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.452 -14.830 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.191 -16.481 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.090 -15.749 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.685 -15.155 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.545 -14.119 -3.012 1.00 0.00 H new ATOM 261 N GLU A 19 6.324 -9.320 -3.021 1.00 0.00 N ATOM 262 CA GLU A 19 6.695 -8.465 -4.182 1.00 0.00 C ATOM 263 C GLU A 19 8.124 -8.787 -4.620 1.00 0.00 C ATOM 264 O GLU A 19 8.867 -9.445 -3.918 1.00 0.00 O ATOM 265 CB GLU A 19 6.606 -6.992 -3.778 1.00 0.00 C ATOM 266 CG GLU A 19 7.709 -6.671 -2.769 1.00 0.00 C ATOM 267 CD GLU A 19 7.080 -6.165 -1.470 1.00 0.00 C ATOM 268 OE1 GLU A 19 6.745 -6.990 -0.637 1.00 0.00 O ATOM 269 OE2 GLU A 19 6.945 -4.960 -1.331 1.00 0.00 O ATOM 0 H GLU A 19 6.312 -8.846 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 19 6.011 -8.659 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.707 -6.356 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.629 -6.782 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.308 -7.561 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.382 -5.917 -3.177 1.00 0.00 H new ATOM 276 N ARG A 20 8.516 -8.327 -5.776 1.00 0.00 N ATOM 277 CA ARG A 20 9.897 -8.604 -6.259 1.00 0.00 C ATOM 278 C ARG A 20 10.778 -7.377 -6.017 1.00 0.00 C ATOM 279 O ARG A 20 11.518 -6.952 -6.882 1.00 0.00 O ATOM 280 CB ARG A 20 9.861 -8.918 -7.754 1.00 0.00 C ATOM 281 CG ARG A 20 10.474 -10.297 -7.999 1.00 0.00 C ATOM 282 CD ARG A 20 9.408 -11.233 -8.568 1.00 0.00 C ATOM 283 NE ARG A 20 8.685 -11.902 -7.451 1.00 0.00 N ATOM 284 CZ ARG A 20 9.354 -12.504 -6.507 1.00 0.00 C ATOM 285 NH1 ARG A 20 10.489 -13.088 -6.780 1.00 0.00 N ATOM 286 NH2 ARG A 20 8.890 -12.520 -5.288 1.00 0.00 N ATOM 0 H ARG A 20 7.939 -7.771 -6.407 1.00 0.00 H new ATOM 0 HA ARG A 20 10.306 -9.457 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.833 -8.895 -8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.412 -8.159 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.311 -10.217 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.870 -10.702 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.706 -10.670 -9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.871 -11.979 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 20 7.665 -11.889 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.854 -13.074 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.011 -13.558 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.004 -12.062 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.413 -12.991 -4.549 1.00 0.00 H new ATOM 300 N LYS A 21 10.706 -6.807 -4.845 1.00 0.00 N ATOM 301 CA LYS A 21 11.541 -5.609 -4.543 1.00 0.00 C ATOM 302 C LYS A 21 10.936 -4.373 -5.216 1.00 0.00 C ATOM 303 O LYS A 21 11.638 -3.561 -5.784 1.00 0.00 O ATOM 304 CB LYS A 21 12.961 -5.831 -5.072 1.00 0.00 C ATOM 305 CG LYS A 21 13.968 -5.626 -3.938 1.00 0.00 C ATOM 306 CD LYS A 21 14.916 -6.825 -3.877 1.00 0.00 C ATOM 307 CE LYS A 21 16.353 -6.355 -4.109 1.00 0.00 C ATOM 308 NZ LYS A 21 17.064 -7.338 -4.975 1.00 0.00 N ATOM 0 H LYS A 21 10.105 -7.119 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 21 11.571 -5.454 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.055 -6.838 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.169 -5.138 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.534 -4.709 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.445 -5.513 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.835 -7.316 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.637 -7.561 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.354 -5.372 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.872 -6.252 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.041 -7.019 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.075 -8.268 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.573 -7.415 -5.889 1.00 0.00 H new ATOM 322 N GLY A 22 9.640 -4.220 -5.155 1.00 0.00 N ATOM 323 CA GLY A 22 9.002 -3.031 -5.793 1.00 0.00 C ATOM 324 C GLY A 22 7.720 -3.455 -6.502 1.00 0.00 C ATOM 325 O GLY A 22 7.748 -3.993 -7.591 1.00 0.00 O ATOM 0 H GLY A 22 8.998 -4.864 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.779 -2.277 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.690 -2.576 -6.506 1.00 0.00 H new ATOM 329 N LEU A 23 6.596 -3.214 -5.889 1.00 0.00 N ATOM 330 CA LEU A 23 5.303 -3.600 -6.513 1.00 0.00 C ATOM 331 C LEU A 23 4.184 -3.398 -5.489 1.00 0.00 C ATOM 332 O LEU A 23 3.496 -4.328 -5.117 1.00 0.00 O ATOM 333 CB LEU A 23 5.364 -5.073 -6.932 1.00 0.00 C ATOM 334 CG LEU A 23 3.980 -5.534 -7.379 1.00 0.00 C ATOM 335 CD1 LEU A 23 4.048 -6.032 -8.824 1.00 0.00 C ATOM 336 CD2 LEU A 23 3.501 -6.666 -6.469 1.00 0.00 C ATOM 0 H LEU A 23 6.518 -2.764 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 23 5.111 -2.986 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.081 -5.202 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.711 -5.685 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 23 3.282 -4.699 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.059 -6.361 -9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.387 -5.224 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.746 -6.866 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.512 -6.996 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.199 -7.501 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.450 -6.309 -5.440 1.00 0.00 H new ATOM 348 N SER A 24 4.005 -2.191 -5.015 1.00 0.00 N ATOM 349 CA SER A 24 2.940 -1.945 -4.000 1.00 0.00 C ATOM 350 C SER A 24 2.134 -0.681 -4.349 1.00 0.00 C ATOM 351 O SER A 24 0.935 -0.720 -4.533 1.00 0.00 O ATOM 352 CB SER A 24 3.585 -1.760 -2.628 1.00 0.00 C ATOM 353 OG SER A 24 4.657 -2.683 -2.484 1.00 0.00 O ATOM 0 H SER A 24 4.547 -1.371 -5.286 1.00 0.00 H new ATOM 0 HA SER A 24 2.265 -2.801 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.952 -0.739 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.846 -1.917 -1.842 1.00 0.00 H new ATOM 0 HG SER A 24 5.437 -2.222 -2.111 1.00 0.00 H new ATOM 359 N LEU A 25 2.774 0.444 -4.412 1.00 0.00 N ATOM 360 CA LEU A 25 2.037 1.702 -4.717 1.00 0.00 C ATOM 361 C LEU A 25 1.053 1.470 -5.880 1.00 0.00 C ATOM 362 O LEU A 25 -0.033 2.015 -5.894 1.00 0.00 O ATOM 363 CB LEU A 25 3.067 2.796 -5.073 1.00 0.00 C ATOM 364 CG LEU A 25 2.570 3.689 -6.221 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.408 4.555 -5.734 1.00 0.00 C ATOM 366 CD2 LEU A 25 3.714 4.590 -6.690 1.00 0.00 C ATOM 0 H LEU A 25 3.778 0.552 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 25 1.456 2.020 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.266 3.409 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.011 2.330 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 25 2.231 3.064 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.058 5.187 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.593 3.914 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.743 5.182 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.366 5.225 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.049 5.213 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.543 3.974 -7.039 1.00 0.00 H new ATOM 378 N ALA A 26 1.425 0.692 -6.865 1.00 0.00 N ATOM 379 CA ALA A 26 0.500 0.474 -8.019 1.00 0.00 C ATOM 380 C ALA A 26 -0.044 -0.962 -8.028 1.00 0.00 C ATOM 381 O ALA A 26 -0.875 -1.309 -8.843 1.00 0.00 O ATOM 382 CB ALA A 26 1.246 0.746 -9.328 1.00 0.00 C ATOM 0 H ALA A 26 2.319 0.203 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.342 1.159 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.573 0.587 -10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.602 1.776 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.096 0.068 -9.410 1.00 0.00 H new ATOM 388 N ALA A 27 0.402 -1.794 -7.133 1.00 0.00 N ATOM 389 CA ALA A 27 -0.110 -3.198 -7.094 1.00 0.00 C ATOM 390 C ALA A 27 -0.776 -3.420 -5.742 1.00 0.00 C ATOM 391 O ALA A 27 -1.886 -3.904 -5.645 1.00 0.00 O ATOM 392 CB ALA A 27 1.052 -4.166 -7.251 1.00 0.00 C ATOM 0 H ALA A 27 1.099 -1.567 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.823 -3.365 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.679 -5.190 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.548 -3.987 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.763 -4.016 -6.438 1.00 0.00 H new ATOM 398 N LEU A 28 -0.092 -3.051 -4.702 1.00 0.00 N ATOM 399 CA LEU A 28 -0.651 -3.190 -3.331 1.00 0.00 C ATOM 400 C LEU A 28 -1.957 -2.399 -3.273 1.00 0.00 C ATOM 401 O LEU A 28 -2.992 -2.922 -2.913 1.00 0.00 O ATOM 402 CB LEU A 28 0.365 -2.631 -2.317 1.00 0.00 C ATOM 403 CG LEU A 28 -0.328 -2.000 -1.100 1.00 0.00 C ATOM 404 CD1 LEU A 28 -0.017 -2.834 0.135 1.00 0.00 C ATOM 405 CD2 LEU A 28 0.191 -0.579 -0.902 1.00 0.00 C ATOM 0 H LEU A 28 0.846 -2.652 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.845 -4.235 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.024 -3.433 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.992 -1.885 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.406 -1.970 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.505 -2.393 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.383 -3.850 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.061 -2.857 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.300 -0.129 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.268 -0.605 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.024 0.014 -1.791 1.00 0.00 H new ATOM 417 N LYS A 29 -1.922 -1.137 -3.628 1.00 0.00 N ATOM 418 CA LYS A 29 -3.178 -0.342 -3.593 1.00 0.00 C ATOM 419 C LYS A 29 -4.027 -0.710 -4.809 1.00 0.00 C ATOM 420 O LYS A 29 -5.055 -0.136 -5.064 1.00 0.00 O ATOM 421 CB LYS A 29 -2.879 1.169 -3.581 1.00 0.00 C ATOM 422 CG LYS A 29 -2.106 1.559 -2.299 1.00 0.00 C ATOM 423 CD LYS A 29 -2.982 1.405 -1.053 1.00 0.00 C ATOM 424 CE LYS A 29 -4.473 1.343 -1.400 1.00 0.00 C ATOM 425 NZ LYS A 29 -5.287 1.615 -0.182 1.00 0.00 N ATOM 0 H LYS A 29 -1.089 -0.634 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.723 -0.574 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.294 1.437 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.812 1.731 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.219 0.933 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.762 2.590 -2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.696 0.498 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.802 2.242 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.706 2.073 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.721 0.361 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.251 1.250 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.853 1.144 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.326 2.640 -0.012 1.00 0.00 H new ATOM 439 N LYS A 30 -3.626 -1.697 -5.535 1.00 0.00 N ATOM 440 CA LYS A 30 -4.427 -2.140 -6.684 1.00 0.00 C ATOM 441 C LYS A 30 -4.749 -3.620 -6.467 1.00 0.00 C ATOM 442 O LYS A 30 -5.374 -4.266 -7.285 1.00 0.00 O ATOM 443 CB LYS A 30 -3.641 -1.893 -7.960 1.00 0.00 C ATOM 444 CG LYS A 30 -3.501 -0.378 -8.120 1.00 0.00 C ATOM 445 CD LYS A 30 -4.688 0.154 -8.925 1.00 0.00 C ATOM 446 CE LYS A 30 -4.423 1.602 -9.340 1.00 0.00 C ATOM 447 NZ LYS A 30 -3.351 1.635 -10.374 1.00 0.00 N ATOM 0 H LYS A 30 -2.766 -2.222 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.362 -1.588 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.661 -2.366 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.156 -2.324 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.465 0.101 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.566 -0.139 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.847 -0.464 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.599 0.097 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.335 2.052 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.125 2.191 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.420 2.519 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.421 1.584 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.463 0.825 -11.016 1.00 0.00 H new ATOM 461 N ALA A 31 -4.372 -4.134 -5.314 1.00 0.00 N ATOM 462 CA ALA A 31 -4.691 -5.533 -4.959 1.00 0.00 C ATOM 463 C ALA A 31 -6.006 -5.480 -4.197 1.00 0.00 C ATOM 464 O ALA A 31 -6.737 -6.447 -4.118 1.00 0.00 O ATOM 465 CB ALA A 31 -3.598 -6.110 -4.050 1.00 0.00 C ATOM 0 H ALA A 31 -3.849 -3.623 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.757 -6.162 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.844 -7.141 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.640 -6.083 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.532 -5.516 -3.138 1.00 0.00 H new ATOM 471 N LEU A 32 -6.325 -4.326 -3.653 1.00 0.00 N ATOM 472 CA LEU A 32 -7.608 -4.197 -2.924 1.00 0.00 C ATOM 473 C LEU A 32 -8.707 -4.619 -3.895 1.00 0.00 C ATOM 474 O LEU A 32 -9.320 -5.655 -3.741 1.00 0.00 O ATOM 475 CB LEU A 32 -7.857 -2.740 -2.478 1.00 0.00 C ATOM 476 CG LEU A 32 -6.547 -2.002 -2.169 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.502 -0.689 -2.957 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.518 -1.680 -0.690 1.00 0.00 C ATOM 0 H LEU A 32 -5.752 -3.483 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.592 -4.817 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.397 -2.208 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.493 -2.735 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.696 -2.625 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.572 -0.165 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.555 -0.903 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.347 -0.063 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.594 -1.155 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.370 -1.048 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.569 -2.605 -0.115 1.00 0.00 H new ATOM 490 N ALA A 33 -8.912 -3.821 -4.917 1.00 0.00 N ATOM 491 CA ALA A 33 -9.935 -4.124 -5.969 1.00 0.00 C ATOM 492 C ALA A 33 -11.071 -4.990 -5.422 1.00 0.00 C ATOM 493 O ALA A 33 -11.590 -5.841 -6.117 1.00 0.00 O ATOM 494 CB ALA A 33 -9.261 -4.863 -7.125 1.00 0.00 C ATOM 0 H ALA A 33 -8.400 -2.952 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.360 -3.179 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.000 -5.087 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.475 -4.237 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.826 -5.793 -6.758 1.00 0.00 H new ATOM 500 N ALA A 34 -11.472 -4.782 -4.195 1.00 0.00 N ATOM 501 CA ALA A 34 -12.591 -5.617 -3.639 1.00 0.00 C ATOM 502 C ALA A 34 -12.660 -5.553 -2.104 1.00 0.00 C ATOM 503 O ALA A 34 -13.647 -5.948 -1.515 1.00 0.00 O ATOM 504 CB ALA A 34 -12.389 -7.076 -4.055 1.00 0.00 C ATOM 0 H ALA A 34 -11.085 -4.084 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.523 -5.218 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.199 -7.684 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.387 -7.147 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.437 -7.437 -3.666 1.00 0.00 H new ATOM 510 N GLY A 35 -11.639 -5.087 -1.438 1.00 0.00 N ATOM 511 CA GLY A 35 -11.692 -5.040 0.056 1.00 0.00 C ATOM 512 C GLY A 35 -12.606 -3.903 0.539 1.00 0.00 C ATOM 513 O GLY A 35 -12.639 -3.586 1.711 1.00 0.00 O ATOM 0 H GLY A 35 -10.776 -4.739 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.056 -5.993 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.688 -4.898 0.455 1.00 0.00 H new ATOM 517 N GLY A 36 -13.335 -3.275 -0.344 1.00 0.00 N ATOM 518 CA GLY A 36 -14.222 -2.155 0.082 1.00 0.00 C ATOM 519 C GLY A 36 -13.571 -0.855 -0.364 1.00 0.00 C ATOM 520 O GLY A 36 -13.574 0.136 0.338 1.00 0.00 O ATOM 0 H GLY A 36 -13.354 -3.489 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.211 -2.260 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.357 -2.164 1.164 1.00 0.00 H new ATOM 524 N TYR A 37 -12.986 -0.883 -1.528 1.00 0.00 N ATOM 525 CA TYR A 37 -12.280 0.306 -2.072 1.00 0.00 C ATOM 526 C TYR A 37 -11.284 -0.202 -3.100 1.00 0.00 C ATOM 527 O TYR A 37 -10.626 -1.201 -2.884 1.00 0.00 O ATOM 528 CB TYR A 37 -11.542 1.021 -0.934 1.00 0.00 C ATOM 529 CG TYR A 37 -12.337 2.224 -0.443 1.00 0.00 C ATOM 530 CD1 TYR A 37 -13.613 2.515 -0.963 1.00 0.00 C ATOM 531 CD2 TYR A 37 -11.791 3.054 0.544 1.00 0.00 C ATOM 532 CE1 TYR A 37 -14.324 3.625 -0.500 1.00 0.00 C ATOM 533 CE2 TYR A 37 -12.508 4.164 1.005 1.00 0.00 C ATOM 534 CZ TYR A 37 -13.773 4.450 0.483 1.00 0.00 C ATOM 535 OH TYR A 37 -14.476 5.546 0.941 1.00 0.00 O ATOM 0 H TYR A 37 -12.968 -1.700 -2.138 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.977 1.010 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.378 0.327 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.560 1.345 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.043 1.878 -1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.814 2.837 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.301 3.845 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.083 4.801 1.766 1.00 0.00 H new ATOM 0 HH TYR A 37 -13.949 6.011 1.624 1.00 0.00 H new ATOM 545 N ASP A 38 -11.161 0.442 -4.225 1.00 0.00 N ATOM 546 CA ASP A 38 -10.208 -0.074 -5.219 1.00 0.00 C ATOM 547 C ASP A 38 -9.329 1.046 -5.740 1.00 0.00 C ATOM 548 O ASP A 38 -8.673 0.885 -6.745 1.00 0.00 O ATOM 549 CB ASP A 38 -10.957 -0.757 -6.380 1.00 0.00 C ATOM 550 CG ASP A 38 -12.073 0.143 -6.921 1.00 0.00 C ATOM 551 OD1 ASP A 38 -12.522 1.012 -6.198 1.00 0.00 O ATOM 552 OD2 ASP A 38 -12.465 -0.061 -8.058 1.00 0.00 O ATOM 0 H ASP A 38 -11.671 1.285 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.572 -0.816 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.256 -0.993 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.381 -1.701 -6.038 1.00 0.00 H new ATOM 557 N VAL A 39 -9.278 2.180 -5.076 1.00 0.00 N ATOM 558 CA VAL A 39 -8.398 3.250 -5.583 1.00 0.00 C ATOM 559 C VAL A 39 -8.884 3.617 -6.979 1.00 0.00 C ATOM 560 O VAL A 39 -8.199 4.253 -7.755 1.00 0.00 O ATOM 561 CB VAL A 39 -6.944 2.721 -5.584 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.837 1.544 -4.603 1.00 0.00 C ATOM 563 CG2 VAL A 39 -6.511 2.221 -6.972 1.00 0.00 C ATOM 0 H VAL A 39 -9.799 2.395 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.424 4.145 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.295 3.547 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.815 1.166 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.104 1.880 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.516 0.750 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.484 1.859 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.167 1.410 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.575 3.039 -7.690 1.00 0.00 H new ATOM 573 N GLU A 40 -10.078 3.205 -7.286 1.00 0.00 N ATOM 574 CA GLU A 40 -10.665 3.493 -8.599 1.00 0.00 C ATOM 575 C GLU A 40 -11.957 4.255 -8.363 1.00 0.00 C ATOM 576 O GLU A 40 -12.101 5.400 -8.743 1.00 0.00 O ATOM 577 CB GLU A 40 -10.955 2.177 -9.310 1.00 0.00 C ATOM 578 CG GLU A 40 -11.130 2.436 -10.807 1.00 0.00 C ATOM 579 CD GLU A 40 -12.579 2.839 -11.086 1.00 0.00 C ATOM 580 OE1 GLU A 40 -13.400 1.951 -11.247 1.00 0.00 O ATOM 581 OE2 GLU A 40 -12.844 4.030 -11.132 1.00 0.00 O ATOM 0 H GLU A 40 -10.678 2.668 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.987 4.083 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.139 1.474 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.856 1.721 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.452 3.225 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.874 1.541 -11.375 1.00 0.00 H new ATOM 588 N LYS A 41 -12.882 3.634 -7.694 1.00 0.00 N ATOM 589 CA LYS A 41 -14.152 4.321 -7.377 1.00 0.00 C ATOM 590 C LYS A 41 -13.885 5.291 -6.223 1.00 0.00 C ATOM 591 O LYS A 41 -14.711 6.116 -5.886 1.00 0.00 O ATOM 592 CB LYS A 41 -15.199 3.287 -6.962 1.00 0.00 C ATOM 593 CG LYS A 41 -15.975 2.822 -8.196 1.00 0.00 C ATOM 594 CD LYS A 41 -17.258 2.115 -7.754 1.00 0.00 C ATOM 595 CE LYS A 41 -18.338 3.157 -7.457 1.00 0.00 C ATOM 596 NZ LYS A 41 -19.271 3.248 -8.615 1.00 0.00 N ATOM 0 H LYS A 41 -12.810 2.675 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.525 4.864 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.715 2.436 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.882 3.719 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.217 3.675 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.361 2.146 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.599 1.435 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.066 1.511 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.886 2.882 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.880 4.128 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.006 3.956 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.742 3.529 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.717 2.322 -8.775 1.00 0.00 H new ATOM 610 N ASN A 42 -12.721 5.202 -5.619 1.00 0.00 N ATOM 611 CA ASN A 42 -12.386 6.117 -4.500 1.00 0.00 C ATOM 612 C ASN A 42 -10.941 6.588 -4.706 1.00 0.00 C ATOM 613 O ASN A 42 -10.250 6.969 -3.782 1.00 0.00 O ATOM 614 CB ASN A 42 -12.541 5.378 -3.156 1.00 0.00 C ATOM 615 CG ASN A 42 -13.393 4.125 -3.340 1.00 0.00 C ATOM 616 OD1 ASN A 42 -14.580 4.128 -3.079 1.00 0.00 O ATOM 617 ND2 ASN A 42 -12.821 3.045 -3.783 1.00 0.00 N ATOM 0 H ASN A 42 -11.993 4.530 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.057 6.976 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.560 5.106 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.004 6.037 -2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.369 2.194 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.824 3.048 -4.000 1.00 0.00 H new ATOM 624 N ASN A 43 -10.497 6.555 -5.940 1.00 0.00 N ATOM 625 CA ASN A 43 -9.116 6.982 -6.289 1.00 0.00 C ATOM 626 C ASN A 43 -8.856 8.379 -5.742 1.00 0.00 C ATOM 627 O ASN A 43 -9.205 9.375 -6.344 1.00 0.00 O ATOM 628 CB ASN A 43 -8.963 6.997 -7.811 1.00 0.00 C ATOM 629 CG ASN A 43 -7.518 7.339 -8.180 1.00 0.00 C ATOM 630 OD1 ASN A 43 -7.270 8.300 -8.881 1.00 0.00 O ATOM 631 ND2 ASN A 43 -6.548 6.589 -7.735 1.00 0.00 N ATOM 0 H ASN A 43 -11.053 6.241 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.400 6.285 -5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.233 6.025 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.643 7.729 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.582 6.809 -7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.756 5.782 -7.147 1.00 0.00 H new ATOM 638 N SER A 44 -8.240 8.445 -4.606 1.00 0.00 N ATOM 639 CA SER A 44 -7.933 9.763 -3.980 1.00 0.00 C ATOM 640 C SER A 44 -7.704 9.567 -2.490 1.00 0.00 C ATOM 641 O SER A 44 -7.009 10.330 -1.850 1.00 0.00 O ATOM 642 CB SER A 44 -9.107 10.712 -4.171 1.00 0.00 C ATOM 643 OG SER A 44 -10.309 9.957 -4.253 1.00 0.00 O ATOM 0 H SER A 44 -7.929 7.634 -4.071 1.00 0.00 H new ATOM 0 HA SER A 44 -7.042 10.182 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.161 11.415 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.970 11.301 -5.078 1.00 0.00 H new ATOM 0 HG SER A 44 -10.567 9.854 -5.193 1.00 0.00 H new ATOM 649 N ARG A 45 -8.271 8.538 -1.933 1.00 0.00 N ATOM 650 CA ARG A 45 -8.066 8.286 -0.490 1.00 0.00 C ATOM 651 C ARG A 45 -7.055 7.166 -0.368 1.00 0.00 C ATOM 652 O ARG A 45 -6.373 7.036 0.620 1.00 0.00 O ATOM 653 CB ARG A 45 -9.378 7.871 0.172 1.00 0.00 C ATOM 654 CG ARG A 45 -10.271 9.100 0.350 1.00 0.00 C ATOM 655 CD ARG A 45 -10.664 9.237 1.823 1.00 0.00 C ATOM 656 NE ARG A 45 -11.816 8.339 2.114 1.00 0.00 N ATOM 657 CZ ARG A 45 -11.931 7.787 3.290 1.00 0.00 C ATOM 658 NH1 ARG A 45 -11.113 6.836 3.647 1.00 0.00 N ATOM 659 NH2 ARG A 45 -12.863 8.189 4.110 1.00 0.00 N ATOM 0 H ARG A 45 -8.865 7.864 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.712 9.190 0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.886 7.125 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.179 7.409 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.746 9.995 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.164 9.007 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.819 8.981 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.929 10.271 2.045 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.515 8.156 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.383 6.524 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.203 6.404 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.501 8.934 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.954 7.758 5.030 1.00 0.00 H new ATOM 673 N ILE A 46 -6.959 6.358 -1.383 1.00 0.00 N ATOM 674 CA ILE A 46 -5.991 5.239 -1.361 1.00 0.00 C ATOM 675 C ILE A 46 -4.567 5.799 -1.413 1.00 0.00 C ATOM 676 O ILE A 46 -3.691 5.343 -0.713 1.00 0.00 O ATOM 677 CB ILE A 46 -6.281 4.325 -2.555 1.00 0.00 C ATOM 678 CG1 ILE A 46 -6.909 3.049 -2.004 1.00 0.00 C ATOM 679 CG2 ILE A 46 -4.989 3.998 -3.329 1.00 0.00 C ATOM 680 CD1 ILE A 46 -8.407 3.062 -2.282 1.00 0.00 C ATOM 0 H ILE A 46 -7.517 6.429 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.087 4.658 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.955 4.820 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.450 2.175 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.727 2.975 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.224 3.348 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.542 4.921 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.286 3.493 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.858 2.151 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.859 3.928 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.577 3.116 -3.357 1.00 0.00 H new ATOM 692 N LYS A 47 -4.338 6.794 -2.222 1.00 0.00 N ATOM 693 CA LYS A 47 -2.981 7.396 -2.292 1.00 0.00 C ATOM 694 C LYS A 47 -2.699 8.097 -0.960 1.00 0.00 C ATOM 695 O LYS A 47 -1.604 8.555 -0.701 1.00 0.00 O ATOM 696 CB LYS A 47 -2.925 8.412 -3.435 1.00 0.00 C ATOM 697 CG LYS A 47 -4.182 9.284 -3.408 1.00 0.00 C ATOM 698 CD LYS A 47 -3.780 10.752 -3.253 1.00 0.00 C ATOM 699 CE LYS A 47 -3.924 11.465 -4.598 1.00 0.00 C ATOM 700 NZ LYS A 47 -2.619 12.076 -4.976 1.00 0.00 N ATOM 0 H LYS A 47 -5.033 7.216 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.234 6.623 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.036 9.035 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.849 7.895 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.753 9.147 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.828 8.984 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.408 11.235 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.751 10.823 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.243 10.759 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.693 12.234 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.715 12.561 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.333 12.762 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.897 11.332 -5.053 1.00 0.00 H new ATOM 714 N LEU A 48 -3.687 8.161 -0.105 1.00 0.00 N ATOM 715 CA LEU A 48 -3.502 8.799 1.222 1.00 0.00 C ATOM 716 C LEU A 48 -3.183 7.692 2.217 1.00 0.00 C ATOM 717 O LEU A 48 -2.220 7.759 2.949 1.00 0.00 O ATOM 718 CB LEU A 48 -4.792 9.511 1.637 1.00 0.00 C ATOM 719 CG LEU A 48 -4.690 10.997 1.293 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.262 11.154 -0.167 1.00 0.00 C ATOM 721 CD2 LEU A 48 -6.054 11.661 1.499 1.00 0.00 C ATOM 0 H LEU A 48 -4.623 7.793 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.697 9.534 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.646 9.067 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.961 9.386 2.707 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.952 11.471 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.189 12.213 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.292 10.680 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.000 10.681 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.983 12.721 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.791 11.187 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.360 11.548 2.539 1.00 0.00 H new ATOM 733 N GLY A 49 -3.967 6.648 2.212 1.00 0.00 N ATOM 734 CA GLY A 49 -3.691 5.512 3.115 1.00 0.00 C ATOM 735 C GLY A 49 -2.569 4.690 2.492 1.00 0.00 C ATOM 736 O GLY A 49 -2.079 3.747 3.075 1.00 0.00 O ATOM 0 H GLY A 49 -4.788 6.540 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.400 5.870 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.585 4.902 3.247 1.00 0.00 H new ATOM 740 N LEU A 50 -2.137 5.059 1.310 1.00 0.00 N ATOM 741 CA LEU A 50 -1.029 4.312 0.672 1.00 0.00 C ATOM 742 C LEU A 50 0.264 4.965 1.108 1.00 0.00 C ATOM 743 O LEU A 50 1.038 4.414 1.865 1.00 0.00 O ATOM 744 CB LEU A 50 -1.114 4.374 -0.851 1.00 0.00 C ATOM 745 CG LEU A 50 0.141 3.704 -1.436 1.00 0.00 C ATOM 746 CD1 LEU A 50 0.235 2.267 -0.933 1.00 0.00 C ATOM 747 CD2 LEU A 50 0.064 3.703 -2.964 1.00 0.00 C ATOM 0 H LEU A 50 -2.506 5.841 0.769 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.083 3.265 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.013 3.867 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.182 5.409 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 50 1.023 4.260 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.125 1.794 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.298 2.266 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.650 1.713 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.955 3.227 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.820 3.152 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.002 4.729 -3.326 1.00 0.00 H new ATOM 759 N LYS A 51 0.480 6.167 0.661 1.00 0.00 N ATOM 760 CA LYS A 51 1.698 6.894 1.080 1.00 0.00 C ATOM 761 C LYS A 51 1.679 6.977 2.602 1.00 0.00 C ATOM 762 O LYS A 51 2.685 7.206 3.240 1.00 0.00 O ATOM 763 CB LYS A 51 1.689 8.296 0.474 1.00 0.00 C ATOM 764 CG LYS A 51 2.041 8.191 -1.006 1.00 0.00 C ATOM 765 CD LYS A 51 2.205 9.590 -1.603 1.00 0.00 C ATOM 766 CE LYS A 51 0.845 10.102 -2.083 1.00 0.00 C ATOM 767 NZ LYS A 51 0.894 10.354 -3.552 1.00 0.00 N ATOM 0 H LYS A 51 -0.135 6.674 0.025 1.00 0.00 H new ATOM 0 HA LYS A 51 2.597 6.380 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.708 8.755 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.407 8.935 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.963 7.623 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.259 7.649 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.619 10.269 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.909 9.562 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.069 9.371 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.584 11.019 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.031 10.702 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.623 11.067 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.124 9.470 -4.048 1.00 0.00 H new ATOM 781 N SER A 52 0.526 6.778 3.188 1.00 0.00 N ATOM 782 CA SER A 52 0.424 6.828 4.668 1.00 0.00 C ATOM 783 C SER A 52 0.446 5.418 5.237 1.00 0.00 C ATOM 784 O SER A 52 0.818 5.240 6.366 1.00 0.00 O ATOM 785 CB SER A 52 -0.863 7.535 5.087 1.00 0.00 C ATOM 786 OG SER A 52 -0.848 7.744 6.493 1.00 0.00 O ATOM 0 H SER A 52 -0.348 6.583 2.700 1.00 0.00 H new ATOM 0 HA SER A 52 1.275 7.386 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.953 8.489 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.729 6.935 4.806 1.00 0.00 H new ATOM 0 HG SER A 52 -1.672 8.199 6.765 1.00 0.00 H new ATOM 792 N LEU A 53 0.095 4.397 4.492 1.00 0.00 N ATOM 793 CA LEU A 53 0.195 3.045 5.104 1.00 0.00 C ATOM 794 C LEU A 53 1.669 2.695 5.117 1.00 0.00 C ATOM 795 O LEU A 53 2.257 2.453 6.152 1.00 0.00 O ATOM 796 CB LEU A 53 -0.574 2.008 4.294 1.00 0.00 C ATOM 797 CG LEU A 53 -0.289 0.598 4.833 1.00 0.00 C ATOM 798 CD1 LEU A 53 1.046 0.098 4.284 1.00 0.00 C ATOM 799 CD2 LEU A 53 -0.232 0.623 6.365 1.00 0.00 C ATOM 0 H LEU A 53 -0.241 4.439 3.530 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.235 3.048 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.643 2.216 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.287 2.069 3.244 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.089 -0.071 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.246 -0.902 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.003 0.067 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.843 0.772 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.030 -0.381 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.561 1.297 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.187 0.971 6.759 1.00 0.00 H new ATOM 811 N VAL A 54 2.282 2.696 3.968 1.00 0.00 N ATOM 812 CA VAL A 54 3.733 2.395 3.918 1.00 0.00 C ATOM 813 C VAL A 54 4.490 3.421 4.766 1.00 0.00 C ATOM 814 O VAL A 54 5.163 3.075 5.716 1.00 0.00 O ATOM 815 CB VAL A 54 4.202 2.465 2.472 1.00 0.00 C ATOM 816 CG1 VAL A 54 5.715 2.252 2.406 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.494 1.380 1.660 1.00 0.00 C ATOM 0 H VAL A 54 1.843 2.891 3.068 1.00 0.00 H new ATOM 0 HA VAL A 54 3.924 1.397 4.312 1.00 0.00 H new ATOM 0 HB VAL A 54 3.963 3.445 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.045 2.303 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.217 3.027 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.963 1.274 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.827 1.426 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.733 0.401 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.416 1.539 1.703 1.00 0.00 H new ATOM 827 N SER A 55 4.388 4.680 4.432 1.00 0.00 N ATOM 828 CA SER A 55 5.109 5.720 5.227 1.00 0.00 C ATOM 829 C SER A 55 4.681 5.661 6.703 1.00 0.00 C ATOM 830 O SER A 55 5.456 5.964 7.588 1.00 0.00 O ATOM 831 CB SER A 55 4.796 7.106 4.664 1.00 0.00 C ATOM 832 OG SER A 55 5.812 8.016 5.065 1.00 0.00 O ATOM 0 H SER A 55 3.840 5.033 3.648 1.00 0.00 H new ATOM 0 HA SER A 55 6.180 5.529 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.737 7.065 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.825 7.446 5.023 1.00 0.00 H new ATOM 0 HG SER A 55 5.615 8.906 4.704 1.00 0.00 H new ATOM 838 N LYS A 56 3.460 5.275 6.982 1.00 0.00 N ATOM 839 CA LYS A 56 3.012 5.204 8.412 1.00 0.00 C ATOM 840 C LYS A 56 4.096 4.526 9.223 1.00 0.00 C ATOM 841 O LYS A 56 4.335 4.838 10.373 1.00 0.00 O ATOM 842 CB LYS A 56 1.747 4.352 8.543 1.00 0.00 C ATOM 843 CG LYS A 56 0.560 5.242 8.906 1.00 0.00 C ATOM 844 CD LYS A 56 0.619 5.583 10.398 1.00 0.00 C ATOM 845 CE LYS A 56 0.003 6.963 10.635 1.00 0.00 C ATOM 846 NZ LYS A 56 -0.550 7.028 12.017 1.00 0.00 N ATOM 0 H LYS A 56 2.759 5.008 6.291 1.00 0.00 H new ATOM 0 HA LYS A 56 2.813 6.216 8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.550 3.831 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.889 3.589 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.581 6.155 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.375 4.732 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.082 4.830 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.653 5.571 10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.756 7.738 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.786 7.151 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.969 7.966 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.281 6.297 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.214 6.866 12.704 1.00 0.00 H new ATOM 860 N GLY A 57 4.735 3.578 8.623 1.00 0.00 N ATOM 861 CA GLY A 57 5.801 2.829 9.336 1.00 0.00 C ATOM 862 C GLY A 57 5.480 1.335 9.291 1.00 0.00 C ATOM 863 O GLY A 57 6.353 0.502 9.433 1.00 0.00 O ATOM 0 H GLY A 57 4.568 3.283 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.769 3.020 8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.871 3.167 10.370 1.00 0.00 H new ATOM 867 N THR A 58 4.238 0.982 9.062 1.00 0.00 N ATOM 868 CA THR A 58 3.892 -0.459 8.975 1.00 0.00 C ATOM 869 C THR A 58 4.712 -1.025 7.833 1.00 0.00 C ATOM 870 O THR A 58 5.675 -1.734 8.034 1.00 0.00 O ATOM 871 CB THR A 58 2.397 -0.624 8.677 1.00 0.00 C ATOM 872 OG1 THR A 58 1.735 0.618 8.875 1.00 0.00 O ATOM 873 CG2 THR A 58 1.801 -1.676 9.614 1.00 0.00 C ATOM 0 H THR A 58 3.459 1.628 8.933 1.00 0.00 H new ATOM 0 HA THR A 58 4.104 -0.975 9.912 1.00 0.00 H new ATOM 0 HB THR A 58 2.266 -0.945 7.644 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.776 0.461 8.999 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.738 -1.792 9.401 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.308 -2.629 9.461 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.931 -1.358 10.648 1.00 0.00 H new ATOM 881 N LEU A 59 4.358 -0.670 6.634 1.00 0.00 N ATOM 882 CA LEU A 59 5.115 -1.130 5.460 1.00 0.00 C ATOM 883 C LEU A 59 6.236 -0.124 5.192 1.00 0.00 C ATOM 884 O LEU A 59 6.031 0.903 4.577 1.00 0.00 O ATOM 885 CB LEU A 59 4.151 -1.207 4.286 1.00 0.00 C ATOM 886 CG LEU A 59 4.886 -1.651 3.028 1.00 0.00 C ATOM 887 CD1 LEU A 59 5.782 -2.842 3.354 1.00 0.00 C ATOM 888 CD2 LEU A 59 3.866 -2.060 1.966 1.00 0.00 C ATOM 0 H LEU A 59 3.561 -0.070 6.422 1.00 0.00 H new ATOM 0 HA LEU A 59 5.559 -2.113 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.347 -1.907 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.689 -0.234 4.121 1.00 0.00 H new ATOM 0 HG LEU A 59 5.497 -0.829 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.308 -3.159 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.507 -2.554 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.172 -3.665 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.388 -2.379 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.258 -2.882 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.223 -1.211 1.733 1.00 0.00 H new ATOM 900 N VAL A 60 7.413 -0.397 5.690 1.00 0.00 N ATOM 901 CA VAL A 60 8.543 0.560 5.509 1.00 0.00 C ATOM 902 C VAL A 60 9.246 0.343 4.172 1.00 0.00 C ATOM 903 O VAL A 60 10.046 -0.556 4.005 1.00 0.00 O ATOM 904 CB VAL A 60 9.564 0.376 6.626 1.00 0.00 C ATOM 905 CG1 VAL A 60 10.281 1.702 6.887 1.00 0.00 C ATOM 906 CG2 VAL A 60 8.859 -0.082 7.905 1.00 0.00 C ATOM 0 H VAL A 60 7.640 -1.242 6.214 1.00 0.00 H new ATOM 0 HA VAL A 60 8.128 1.567 5.534 1.00 0.00 H new ATOM 0 HB VAL A 60 10.290 -0.379 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.011 1.570 7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.791 2.025 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.553 2.457 7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.594 -0.212 8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.128 0.668 8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.352 -1.029 7.722 1.00 0.00 H new ATOM 916 N GLN A 61 8.964 1.190 3.235 1.00 0.00 N ATOM 917 CA GLN A 61 9.604 1.107 1.902 1.00 0.00 C ATOM 918 C GLN A 61 11.060 1.560 2.012 1.00 0.00 C ATOM 919 O GLN A 61 11.551 1.859 3.083 1.00 0.00 O ATOM 920 CB GLN A 61 8.862 2.039 0.941 1.00 0.00 C ATOM 921 CG GLN A 61 8.895 3.476 1.463 1.00 0.00 C ATOM 922 CD GLN A 61 7.809 4.315 0.777 1.00 0.00 C ATOM 923 OE1 GLN A 61 7.615 5.465 1.119 1.00 0.00 O ATOM 924 NE2 GLN A 61 7.087 3.797 -0.184 1.00 0.00 N ATOM 0 H GLN A 61 8.299 1.957 3.339 1.00 0.00 H new ATOM 0 HA GLN A 61 9.566 0.081 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.320 1.993 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.829 1.709 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.742 3.482 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.875 3.915 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.244 2.833 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.367 4.358 -0.640 1.00 0.00 H new ATOM 933 N THR A 62 11.747 1.625 0.909 1.00 0.00 N ATOM 934 CA THR A 62 13.167 2.071 0.930 1.00 0.00 C ATOM 935 C THR A 62 13.506 2.658 -0.439 1.00 0.00 C ATOM 936 O THR A 62 14.559 2.413 -0.994 1.00 0.00 O ATOM 937 CB THR A 62 14.079 0.877 1.223 1.00 0.00 C ATOM 938 OG1 THR A 62 13.393 -0.327 0.911 1.00 0.00 O ATOM 939 CG2 THR A 62 14.466 0.879 2.703 1.00 0.00 C ATOM 0 H THR A 62 11.384 1.387 -0.014 1.00 0.00 H new ATOM 0 HA THR A 62 13.314 2.822 1.706 1.00 0.00 H new ATOM 0 HB THR A 62 14.981 0.949 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.976 -1.093 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.115 0.028 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.992 1.804 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.567 0.806 3.314 1.00 0.00 H new ATOM 1018 N GLY A 69 14.411 -0.840 -3.098 1.00 0.00 N ATOM 1019 CA GLY A 69 13.508 -0.439 -1.980 1.00 0.00 C ATOM 1020 C GLY A 69 12.179 0.057 -2.552 1.00 0.00 C ATOM 1021 O GLY A 69 12.140 0.699 -3.583 1.00 0.00 O ATOM 0 HA2 GLY A 69 13.337 -1.285 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.975 0.345 -1.384 1.00 0.00 H new ATOM 1025 N SER A 70 11.087 -0.235 -1.897 1.00 0.00 N ATOM 1026 CA SER A 70 9.768 0.224 -2.416 1.00 0.00 C ATOM 1027 C SER A 70 8.702 0.086 -1.328 1.00 0.00 C ATOM 1028 O SER A 70 7.952 1.000 -1.091 1.00 0.00 O ATOM 1029 CB SER A 70 9.375 -0.625 -3.619 1.00 0.00 C ATOM 1030 OG SER A 70 9.768 0.041 -4.811 1.00 0.00 O ATOM 0 H SER A 70 11.052 -0.769 -1.029 1.00 0.00 H new ATOM 0 HA SER A 70 9.844 1.270 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.853 -1.603 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.299 -0.796 -3.622 1.00 0.00 H new ATOM 0 HG SER A 70 10.667 0.414 -4.696 1.00 0.00 H new ATOM 1036 N PHE A 71 8.657 -1.052 -0.672 1.00 0.00 N ATOM 1037 CA PHE A 71 7.677 -1.326 0.437 1.00 0.00 C ATOM 1038 C PHE A 71 7.962 -2.734 0.961 1.00 0.00 C ATOM 1039 O PHE A 71 7.290 -3.679 0.599 1.00 0.00 O ATOM 1040 CB PHE A 71 6.197 -1.310 -0.016 1.00 0.00 C ATOM 1041 CG PHE A 71 5.967 -0.350 -1.139 1.00 0.00 C ATOM 1042 CD1 PHE A 71 6.281 -0.706 -2.453 1.00 0.00 C ATOM 1043 CD2 PHE A 71 5.447 0.916 -0.857 1.00 0.00 C ATOM 1044 CE1 PHE A 71 6.071 0.210 -3.483 1.00 0.00 C ATOM 1045 CE2 PHE A 71 5.236 1.828 -1.886 1.00 0.00 C ATOM 1046 CZ PHE A 71 5.550 1.474 -3.198 1.00 0.00 C ATOM 0 H PHE A 71 9.283 -1.833 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 71 7.805 -0.538 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.902 -2.312 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.562 -1.040 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.684 -1.684 -2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.209 1.187 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.311 -0.058 -4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.831 2.806 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.389 2.181 -3.998 1.00 0.00 H new ATOM 1056 N ARG A 72 8.927 -2.890 1.819 1.00 0.00 N ATOM 1057 CA ARG A 72 9.208 -4.244 2.363 1.00 0.00 C ATOM 1058 C ARG A 72 8.284 -4.426 3.550 1.00 0.00 C ATOM 1059 O ARG A 72 7.218 -4.998 3.438 1.00 0.00 O ATOM 1060 CB ARG A 72 10.667 -4.342 2.812 1.00 0.00 C ATOM 1061 CG ARG A 72 11.381 -5.421 1.994 1.00 0.00 C ATOM 1062 CD ARG A 72 12.425 -4.767 1.087 1.00 0.00 C ATOM 1063 NE ARG A 72 13.370 -5.805 0.586 1.00 0.00 N ATOM 1064 CZ ARG A 72 14.634 -5.747 0.910 1.00 0.00 C ATOM 1065 NH1 ARG A 72 15.309 -4.649 0.707 1.00 0.00 N ATOM 1066 NH2 ARG A 72 15.220 -6.787 1.437 1.00 0.00 N ATOM 0 H ARG A 72 9.530 -2.144 2.166 1.00 0.00 H new ATOM 0 HA ARG A 72 9.044 -5.014 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.165 -3.381 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.717 -4.583 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.861 -6.139 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.659 -5.975 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.935 -4.272 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.970 -3.999 1.637 1.00 0.00 H new ATOM 0 HE ARG A 72 13.030 -6.560 -0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.850 -3.837 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.296 -4.603 0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.691 -7.645 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.207 -6.742 1.690 1.00 0.00 H new ATOM 1080 N LEU A 73 8.648 -3.887 4.674 1.00 0.00 N ATOM 1081 CA LEU A 73 7.742 -3.974 5.839 1.00 0.00 C ATOM 1082 C LEU A 73 8.412 -3.390 7.075 1.00 0.00 C ATOM 1083 O LEU A 73 9.460 -2.779 6.999 1.00 0.00 O ATOM 1084 CB LEU A 73 7.317 -5.426 6.102 1.00 0.00 C ATOM 1085 CG LEU A 73 5.799 -5.538 6.421 1.00 0.00 C ATOM 1086 CD1 LEU A 73 5.111 -4.173 6.538 1.00 0.00 C ATOM 1087 CD2 LEU A 73 5.107 -6.306 5.310 1.00 0.00 C ATOM 0 H LEU A 73 9.527 -3.394 4.834 1.00 0.00 H new ATOM 0 HA LEU A 73 6.847 -3.394 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.550 -6.036 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.894 -5.828 6.935 1.00 0.00 H new ATOM 0 HG LEU A 73 5.719 -6.047 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.054 -4.316 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.576 -3.598 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.213 -3.632 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.043 -6.386 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.243 -5.780 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.538 -7.304 5.235 1.00 0.00 H new ATOM 1099 N SER A 74 7.799 -3.555 8.212 1.00 0.00 N ATOM 1100 CA SER A 74 8.377 -2.989 9.451 1.00 0.00 C ATOM 1101 C SER A 74 9.859 -3.358 9.546 1.00 0.00 C ATOM 1102 O SER A 74 10.727 -2.552 9.278 1.00 0.00 O ATOM 1103 CB SER A 74 7.631 -3.545 10.665 1.00 0.00 C ATOM 1104 OG SER A 74 8.271 -3.105 11.856 1.00 0.00 O ATOM 0 H SER A 74 6.921 -4.059 8.333 1.00 0.00 H new ATOM 0 HA SER A 74 8.278 -1.904 9.431 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.593 -3.211 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.616 -4.634 10.629 1.00 0.00 H new ATOM 0 HG SER A 74 7.793 -3.459 12.634 1.00 0.00 H new ATOM 1110 N LYS A 75 10.153 -4.572 9.928 1.00 0.00 N ATOM 1111 CA LYS A 75 11.578 -4.996 10.044 1.00 0.00 C ATOM 1112 C LYS A 75 12.390 -3.885 10.713 1.00 0.00 C ATOM 1113 O LYS A 75 11.782 -3.012 11.311 1.00 0.00 O ATOM 1114 CB LYS A 75 12.146 -5.274 8.651 1.00 0.00 C ATOM 1115 CG LYS A 75 12.785 -6.665 8.630 1.00 0.00 C ATOM 1116 CD LYS A 75 12.411 -7.379 7.330 1.00 0.00 C ATOM 1117 CE LYS A 75 13.680 -7.683 6.533 1.00 0.00 C ATOM 1118 NZ LYS A 75 14.109 -9.086 6.798 1.00 0.00 N ATOM 1119 OXT LYS A 75 13.606 -3.924 10.616 1.00 0.00 O ATOM 0 H LYS A 75 9.467 -5.289 10.165 1.00 0.00 H new ATOM 0 HA LYS A 75 11.637 -5.902 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.354 -5.215 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.886 -4.518 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.869 -6.580 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.445 -7.246 9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.877 -8.303 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.739 -6.756 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.496 -7.543 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.473 -6.990 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.972 -9.293 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.301 -9.204 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.354 -9.740 6.510 1.00 0.00 H new