USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 7:sc= 0.37 USER MOD Single : A 20 THR OG1 : rot -4:sc= 1.04 USER MOD Single : A 22 HIS : no HD1:sc= -9.82! C(o=-9.8!,f=-19!) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -0.456 (180deg=-0.519) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 85:sc= 0.948 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -140:sc= -0.664 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -8.163 7.040 0.423 1.00 0.00 N ATOM 14 CA ILE A 2 -6.879 6.415 0.851 1.00 0.00 C ATOM 15 C ILE A 2 -5.920 6.354 -0.339 1.00 0.00 C ATOM 16 O ILE A 2 -5.936 5.419 -1.115 1.00 0.00 O ATOM 17 CB ILE A 2 -7.148 4.999 1.362 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.029 5.067 2.612 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.823 4.320 1.709 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.708 3.715 2.834 1.00 0.00 C ATOM 0 HA ILE A 2 -6.432 7.010 1.647 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.658 4.425 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.426 5.329 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.780 5.848 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.016 3.311 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.195 4.271 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.312 4.893 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.335 3.765 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.325 3.471 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.949 2.944 2.967 1.00 0.00 H new ATOM 32 N ASP A 3 -5.084 7.344 -0.490 1.00 0.00 N ATOM 33 CA ASP A 3 -4.124 7.344 -1.630 1.00 0.00 C ATOM 34 C ASP A 3 -2.983 6.368 -1.335 1.00 0.00 C ATOM 35 O ASP A 3 -2.769 5.970 -0.207 1.00 0.00 O ATOM 36 CB ASP A 3 -3.556 8.751 -1.821 1.00 0.00 C ATOM 37 CG ASP A 3 -2.393 8.702 -2.813 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.647 8.461 -3.981 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.268 8.906 -2.387 1.00 0.00 O ATOM 0 H ASP A 3 -5.024 8.154 0.127 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.640 7.036 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.333 9.421 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.216 9.150 -0.865 1.00 0.00 H new ATOM 44 N ILE A 4 -2.248 5.980 -2.341 1.00 0.00 N ATOM 45 CA ILE A 4 -1.121 5.031 -2.117 1.00 0.00 C ATOM 46 C ILE A 4 0.111 5.512 -2.887 1.00 0.00 C ATOM 47 O ILE A 4 0.064 5.727 -4.081 1.00 0.00 O ATOM 48 CB ILE A 4 -1.520 3.640 -2.613 1.00 0.00 C ATOM 49 CG1 ILE A 4 -2.828 3.217 -1.940 1.00 0.00 C ATOM 50 CG2 ILE A 4 -0.421 2.637 -2.259 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.887 2.942 -3.011 1.00 0.00 C ATOM 0 H ILE A 4 -2.379 6.279 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.890 4.986 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.656 3.665 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.666 2.325 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.172 4.001 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.705 1.646 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.513 2.938 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.286 2.612 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.819 2.641 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.056 3.846 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.542 2.143 -3.668 1.00 0.00 H new ATOM 63 N LYS A 5 1.215 5.683 -2.211 1.00 0.00 N ATOM 64 CA LYS A 5 2.448 6.150 -2.904 1.00 0.00 C ATOM 65 C LYS A 5 3.632 5.280 -2.479 1.00 0.00 C ATOM 66 O LYS A 5 3.521 4.451 -1.597 1.00 0.00 O ATOM 67 CB LYS A 5 2.725 7.606 -2.527 1.00 0.00 C ATOM 68 CG LYS A 5 2.916 7.715 -1.013 1.00 0.00 C ATOM 69 CD LYS A 5 3.241 9.163 -0.641 1.00 0.00 C ATOM 70 CE LYS A 5 3.008 9.370 0.857 1.00 0.00 C ATOM 71 NZ LYS A 5 1.935 10.383 1.059 1.00 0.00 N ATOM 0 H LYS A 5 1.315 5.519 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 5 2.309 6.074 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.616 7.963 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.897 8.239 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.012 7.390 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.722 7.056 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.277 9.391 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.615 9.846 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.725 8.427 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.929 9.700 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.777 10.523 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.222 11.284 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.055 10.050 0.615 1.00 0.00 H new ATOM 85 N ALA A 6 4.767 5.460 -3.097 1.00 0.00 N ATOM 86 CA ALA A 6 5.957 4.643 -2.727 1.00 0.00 C ATOM 87 C ALA A 6 6.620 5.242 -1.483 1.00 0.00 C ATOM 88 O ALA A 6 6.594 6.441 -1.287 1.00 0.00 O ATOM 89 CB ALA A 6 6.954 4.640 -3.886 1.00 0.00 C ATOM 0 H ALA A 6 4.922 6.138 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 6 5.645 3.620 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.825 4.042 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.482 4.213 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.267 5.662 -4.099 1.00 0.00 H new ATOM 95 N PRO A 7 7.195 4.385 -0.679 1.00 0.00 N ATOM 96 CA PRO A 7 7.878 4.793 0.560 1.00 0.00 C ATOM 97 C PRO A 7 9.262 5.367 0.244 1.00 0.00 C ATOM 98 O PRO A 7 9.857 5.056 -0.769 1.00 0.00 O ATOM 99 CB PRO A 7 7.996 3.487 1.351 1.00 0.00 C ATOM 100 CG PRO A 7 7.900 2.340 0.317 1.00 0.00 C ATOM 101 CD PRO A 7 7.218 2.930 -0.932 1.00 0.00 C ATOM 0 HA PRO A 7 7.345 5.571 1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.942 3.444 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.201 3.409 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.890 1.955 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.323 1.506 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.774 2.692 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.211 2.532 -1.061 1.00 0.00 H new ATOM 109 N THR A 8 9.780 6.202 1.103 1.00 0.00 N ATOM 110 CA THR A 8 11.123 6.795 0.850 1.00 0.00 C ATOM 111 C THR A 8 12.196 5.717 1.023 1.00 0.00 C ATOM 112 O THR A 8 12.201 4.982 1.991 1.00 0.00 O ATOM 113 CB THR A 8 11.375 7.930 1.844 1.00 0.00 C ATOM 114 OG1 THR A 8 10.150 8.590 2.127 1.00 0.00 O ATOM 115 CG2 THR A 8 12.368 8.927 1.243 1.00 0.00 C ATOM 0 H THR A 8 9.331 6.499 1.969 1.00 0.00 H new ATOM 0 HA THR A 8 11.162 7.187 -0.166 1.00 0.00 H new ATOM 0 HB THR A 8 11.789 7.521 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.310 9.316 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.547 9.735 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.308 8.419 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.958 9.338 0.321 1.00 0.00 H new ATOM 123 N PHE A 9 13.105 5.617 0.092 1.00 0.00 N ATOM 124 CA PHE A 9 14.176 4.587 0.204 1.00 0.00 C ATOM 125 C PHE A 9 15.455 5.238 0.741 1.00 0.00 C ATOM 126 O PHE A 9 15.668 6.421 0.565 1.00 0.00 O ATOM 127 CB PHE A 9 14.451 3.985 -1.175 1.00 0.00 C ATOM 128 CG PHE A 9 13.156 3.492 -1.775 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.598 2.282 -1.340 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.512 4.243 -2.768 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.396 1.824 -1.897 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.311 3.785 -3.324 1.00 0.00 C ATOM 133 CZ PHE A 9 10.753 2.575 -2.888 1.00 0.00 C ATOM 0 H PHE A 9 13.152 6.204 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 9 13.854 3.800 0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.905 4.732 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 9 15.161 3.163 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.094 1.703 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.942 5.175 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.966 0.892 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.815 4.364 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.827 2.222 -3.317 1.00 0.00 H new ATOM 143 N PRO A 10 16.269 4.439 1.384 1.00 0.00 N ATOM 144 CA PRO A 10 17.541 4.901 1.965 1.00 0.00 C ATOM 145 C PRO A 10 18.606 5.047 0.874 1.00 0.00 C ATOM 146 O PRO A 10 18.298 5.162 -0.296 1.00 0.00 O ATOM 147 CB PRO A 10 17.914 3.786 2.946 1.00 0.00 C ATOM 148 CG PRO A 10 17.164 2.518 2.470 1.00 0.00 C ATOM 149 CD PRO A 10 15.995 3.002 1.590 1.00 0.00 C ATOM 0 HA PRO A 10 17.463 5.876 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.991 3.620 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.624 4.050 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.829 1.864 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.797 1.943 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.959 2.463 0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.035 2.846 2.082 1.00 0.00 H new ATOM 157 N GLU A 11 19.856 5.047 1.248 1.00 0.00 N ATOM 158 CA GLU A 11 20.939 5.186 0.233 1.00 0.00 C ATOM 159 C GLU A 11 21.133 3.853 -0.491 1.00 0.00 C ATOM 160 O GLU A 11 21.062 3.778 -1.702 1.00 0.00 O ATOM 161 CB GLU A 11 22.242 5.584 0.929 1.00 0.00 C ATOM 162 CG GLU A 11 23.027 6.545 0.034 1.00 0.00 C ATOM 163 CD GLU A 11 24.522 6.243 0.149 1.00 0.00 C ATOM 164 OE1 GLU A 11 24.960 5.925 1.242 1.00 0.00 O ATOM 165 OE2 GLU A 11 25.203 6.335 -0.859 1.00 0.00 O ATOM 0 H GLU A 11 20.175 4.957 2.213 1.00 0.00 H new ATOM 0 HA GLU A 11 20.664 5.955 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.025 6.057 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.839 4.697 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.703 6.441 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.830 7.576 0.328 1.00 0.00 H new ATOM 172 N SER A 12 21.381 2.800 0.240 1.00 0.00 N ATOM 173 CA SER A 12 21.583 1.473 -0.402 1.00 0.00 C ATOM 174 C SER A 12 20.544 1.274 -1.509 1.00 0.00 C ATOM 175 O SER A 12 20.872 0.927 -2.626 1.00 0.00 O ATOM 176 CB SER A 12 21.426 0.371 0.646 1.00 0.00 C ATOM 177 OG SER A 12 21.377 -0.892 -0.005 1.00 0.00 O ATOM 0 H SER A 12 21.452 2.804 1.257 1.00 0.00 H new ATOM 0 HA SER A 12 22.584 1.428 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.259 0.399 1.348 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.516 0.530 1.225 1.00 0.00 H new ATOM 0 HG SER A 12 21.278 -1.601 0.664 1.00 0.00 H new ATOM 183 N ILE A 13 19.293 1.492 -1.207 1.00 0.00 N ATOM 184 CA ILE A 13 18.236 1.315 -2.243 1.00 0.00 C ATOM 185 C ILE A 13 18.021 2.637 -2.981 1.00 0.00 C ATOM 186 O ILE A 13 18.086 3.702 -2.400 1.00 0.00 O ATOM 187 CB ILE A 13 16.930 0.888 -1.570 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.224 -0.198 -0.533 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.968 0.338 -2.624 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.927 -0.599 0.170 1.00 0.00 C ATOM 0 H ILE A 13 18.958 1.785 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 13 18.546 0.548 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 13 16.476 1.749 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.671 -1.066 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.947 0.167 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.038 0.034 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.759 1.110 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.421 -0.523 -3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.138 -1.373 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.499 0.271 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.218 -0.982 -0.564 1.00 0.00 H new ATOM 202 N ALA A 14 17.764 2.579 -4.260 1.00 0.00 N ATOM 203 CA ALA A 14 17.546 3.833 -5.033 1.00 0.00 C ATOM 204 C ALA A 14 16.105 3.874 -5.548 1.00 0.00 C ATOM 205 O ALA A 14 15.690 4.826 -6.180 1.00 0.00 O ATOM 206 CB ALA A 14 18.512 3.875 -6.219 1.00 0.00 C ATOM 0 H ALA A 14 17.696 1.717 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 14 17.725 4.692 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.353 4.793 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.538 3.847 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.334 3.015 -6.864 1.00 0.00 H new ATOM 212 N ASP A 15 15.338 2.852 -5.283 1.00 0.00 N ATOM 213 CA ASP A 15 13.925 2.836 -5.759 1.00 0.00 C ATOM 214 C ASP A 15 13.377 1.410 -5.681 1.00 0.00 C ATOM 215 O ASP A 15 13.985 0.532 -5.101 1.00 0.00 O ATOM 216 CB ASP A 15 13.869 3.325 -7.207 1.00 0.00 C ATOM 217 CG ASP A 15 15.107 2.836 -7.961 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.236 1.635 -8.132 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.905 3.671 -8.355 1.00 0.00 O ATOM 0 H ASP A 15 15.628 2.027 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 15 13.323 3.492 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.966 2.955 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.821 4.414 -7.232 1.00 0.00 H new ATOM 224 N GLY A 16 12.232 1.172 -6.260 1.00 0.00 N ATOM 225 CA GLY A 16 11.646 -0.197 -6.219 1.00 0.00 C ATOM 226 C GLY A 16 10.954 -0.497 -7.550 1.00 0.00 C ATOM 227 O GLY A 16 11.180 0.168 -8.541 1.00 0.00 O ATOM 0 H GLY A 16 11.677 1.867 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.427 -0.933 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.931 -0.273 -5.400 1.00 0.00 H new ATOM 231 N THR A 17 10.110 -1.492 -7.579 1.00 0.00 N ATOM 232 CA THR A 17 9.404 -1.833 -8.846 1.00 0.00 C ATOM 233 C THR A 17 8.036 -2.435 -8.520 1.00 0.00 C ATOM 234 O THR A 17 7.914 -3.301 -7.677 1.00 0.00 O ATOM 235 CB THR A 17 10.234 -2.850 -9.635 1.00 0.00 C ATOM 236 OG1 THR A 17 11.385 -2.209 -10.165 1.00 0.00 O ATOM 237 CG2 THR A 17 9.393 -3.420 -10.777 1.00 0.00 C ATOM 0 H THR A 17 9.879 -2.083 -6.780 1.00 0.00 H new ATOM 0 HA THR A 17 9.272 -0.931 -9.443 1.00 0.00 H new ATOM 0 HB THR A 17 10.541 -3.661 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.442 -1.296 -9.813 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.984 -4.144 -11.338 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.510 -3.912 -10.368 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.084 -2.612 -11.440 1.00 0.00 H new ATOM 245 N VAL A 18 7.005 -1.983 -9.179 1.00 0.00 N ATOM 246 CA VAL A 18 5.646 -2.530 -8.904 1.00 0.00 C ATOM 247 C VAL A 18 5.700 -4.058 -8.921 1.00 0.00 C ATOM 248 O VAL A 18 6.606 -4.651 -9.472 1.00 0.00 O ATOM 249 CB VAL A 18 4.672 -2.041 -9.977 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.254 -2.496 -9.626 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.714 -0.513 -10.045 1.00 0.00 C ATOM 0 H VAL A 18 7.044 -1.259 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 18 5.308 -2.189 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 18 4.958 -2.457 -10.943 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.560 -2.147 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.223 -3.584 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.967 -2.081 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.020 -0.164 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.428 -0.098 -9.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.724 -0.188 -10.295 1.00 0.00 H new ATOM 261 N ALA A 19 4.738 -4.702 -8.318 1.00 0.00 N ATOM 262 CA ALA A 19 4.738 -6.192 -8.299 1.00 0.00 C ATOM 263 C ALA A 19 3.699 -6.716 -9.293 1.00 0.00 C ATOM 264 O ALA A 19 4.031 -7.165 -10.372 1.00 0.00 O ATOM 265 CB ALA A 19 4.393 -6.684 -6.891 1.00 0.00 C ATOM 0 H ALA A 19 3.953 -4.261 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 19 5.725 -6.559 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.393 -7.774 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.134 -6.312 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.406 -6.317 -6.609 1.00 0.00 H new ATOM 271 N THR A 20 2.444 -6.668 -8.937 1.00 0.00 N ATOM 272 CA THR A 20 1.388 -7.165 -9.863 1.00 0.00 C ATOM 273 C THR A 20 0.037 -6.567 -9.467 1.00 0.00 C ATOM 274 O THR A 20 -0.355 -6.601 -8.318 1.00 0.00 O ATOM 275 CB THR A 20 1.315 -8.691 -9.776 1.00 0.00 C ATOM 276 OG1 THR A 20 2.470 -9.254 -10.384 1.00 0.00 O ATOM 277 CG2 THR A 20 0.062 -9.186 -10.501 1.00 0.00 C ATOM 0 H THR A 20 2.105 -6.306 -8.046 1.00 0.00 H new ATOM 0 HA THR A 20 1.630 -6.868 -10.884 1.00 0.00 H new ATOM 0 HB THR A 20 1.270 -8.994 -8.730 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.017 -8.539 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.011 -10.273 -10.438 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.823 -8.754 -10.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.104 -8.884 -11.548 1.00 0.00 H new ATOM 285 N TRP A 21 -0.679 -6.017 -10.410 1.00 0.00 N ATOM 286 CA TRP A 21 -1.997 -5.418 -10.095 1.00 0.00 C ATOM 287 C TRP A 21 -3.090 -6.481 -10.241 1.00 0.00 C ATOM 288 O TRP A 21 -3.713 -6.605 -11.277 1.00 0.00 O ATOM 289 CB TRP A 21 -2.259 -4.278 -11.073 1.00 0.00 C ATOM 290 CG TRP A 21 -1.739 -2.999 -10.502 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.551 -2.431 -10.815 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.368 -2.120 -9.526 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.413 -1.260 -10.091 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.503 -1.027 -9.286 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.590 -2.163 -8.832 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.834 -0.016 -8.394 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.931 -1.143 -7.927 1.00 0.00 C ATOM 298 CH2 TRP A 21 -3.053 -0.069 -7.709 1.00 0.00 C ATOM 0 H TRP A 21 -0.401 -5.959 -11.390 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.001 -5.040 -9.073 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.775 -4.485 -12.027 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.328 -4.192 -11.270 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.170 -2.827 -11.515 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.398 -0.645 -10.148 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.271 -2.985 -8.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.154 0.807 -8.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.871 -1.185 -7.398 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.318 0.714 -7.014 1.00 0.00 H new ATOM 309 N HIS A 22 -3.324 -7.250 -9.211 1.00 0.00 N ATOM 310 CA HIS A 22 -4.380 -8.311 -9.299 1.00 0.00 C ATOM 311 C HIS A 22 -5.618 -7.740 -9.992 1.00 0.00 C ATOM 312 O HIS A 22 -5.965 -8.134 -11.088 1.00 0.00 O ATOM 313 CB HIS A 22 -4.773 -8.800 -7.896 1.00 0.00 C ATOM 314 CG HIS A 22 -3.581 -8.725 -6.989 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.217 -7.548 -6.362 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.631 -9.650 -6.636 1.00 0.00 C ATOM 317 CE1 HIS A 22 -2.089 -7.785 -5.680 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.687 -9.052 -5.807 1.00 0.00 N ATOM 0 H HIS A 22 -2.836 -7.194 -8.317 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.983 -9.150 -9.870 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.584 -8.189 -7.500 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.141 -9.825 -7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.618 -10.682 -6.953 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.567 -7.041 -5.097 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.866 -9.487 -5.387 1.00 0.00 H new ATOM 326 N LYS A 23 -6.288 -6.813 -9.363 1.00 0.00 N ATOM 327 CA LYS A 23 -7.503 -6.219 -9.986 1.00 0.00 C ATOM 328 C LYS A 23 -7.117 -4.948 -10.746 1.00 0.00 C ATOM 329 O LYS A 23 -5.954 -4.634 -10.900 1.00 0.00 O ATOM 330 CB LYS A 23 -8.518 -5.871 -8.894 1.00 0.00 C ATOM 331 CG LYS A 23 -9.187 -7.152 -8.392 1.00 0.00 C ATOM 332 CD LYS A 23 -10.665 -7.144 -8.785 1.00 0.00 C ATOM 333 CE LYS A 23 -11.507 -7.665 -7.619 1.00 0.00 C ATOM 334 NZ LYS A 23 -12.086 -6.514 -6.870 1.00 0.00 N ATOM 0 H LYS A 23 -6.046 -6.442 -8.444 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.944 -6.937 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.020 -5.361 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.269 -5.185 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.691 -8.024 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.088 -7.226 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.976 -6.133 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.821 -7.766 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.304 -8.308 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.892 -8.272 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.346 -6.820 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.384 -5.749 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.933 -6.169 -7.365 1.00 0.00 H new ATOM 348 N LYS A 24 -8.086 -4.216 -11.225 1.00 0.00 N ATOM 349 CA LYS A 24 -7.775 -2.967 -11.977 1.00 0.00 C ATOM 350 C LYS A 24 -8.517 -1.790 -11.337 1.00 0.00 C ATOM 351 O LYS A 24 -9.387 -1.981 -10.511 1.00 0.00 O ATOM 352 CB LYS A 24 -8.225 -3.123 -13.431 1.00 0.00 C ATOM 353 CG LYS A 24 -7.016 -3.460 -14.305 1.00 0.00 C ATOM 354 CD LYS A 24 -6.496 -4.854 -13.946 1.00 0.00 C ATOM 355 CE LYS A 24 -5.960 -5.539 -15.203 1.00 0.00 C ATOM 356 NZ LYS A 24 -4.475 -5.640 -15.118 1.00 0.00 N ATOM 0 H LYS A 24 -9.079 -4.429 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.701 -2.781 -11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.974 -3.911 -13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.693 -2.202 -13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.295 -3.425 -15.358 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.230 -2.719 -14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.708 -4.778 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.296 -5.450 -13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.398 -6.532 -15.304 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.247 -4.973 -16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.109 -6.106 -15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.066 -4.687 -15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.212 -6.198 -14.280 1.00 0.00 H new ATOM 370 N PRO A 25 -8.149 -0.603 -11.745 1.00 0.00 N ATOM 371 CA PRO A 25 -8.759 0.639 -11.237 1.00 0.00 C ATOM 372 C PRO A 25 -10.135 0.856 -11.873 1.00 0.00 C ATOM 373 O PRO A 25 -10.283 0.831 -13.079 1.00 0.00 O ATOM 374 CB PRO A 25 -7.776 1.728 -11.673 1.00 0.00 C ATOM 375 CG PRO A 25 -6.980 1.144 -12.864 1.00 0.00 C ATOM 376 CD PRO A 25 -7.090 -0.388 -12.754 1.00 0.00 C ATOM 0 HA PRO A 25 -8.922 0.628 -10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.305 2.635 -11.966 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.109 1.999 -10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.387 1.495 -13.812 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.938 1.462 -12.827 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.354 -0.838 -13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.146 -0.834 -12.442 1.00 0.00 H new ATOM 384 N GLY A 26 -11.143 1.071 -11.071 1.00 0.00 N ATOM 385 CA GLY A 26 -12.507 1.291 -11.632 1.00 0.00 C ATOM 386 C GLY A 26 -13.381 0.069 -11.338 1.00 0.00 C ATOM 387 O GLY A 26 -14.397 -0.143 -11.968 1.00 0.00 O ATOM 0 H GLY A 26 -11.081 1.104 -10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.953 2.184 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.447 1.459 -12.707 1.00 0.00 H new ATOM 391 N GLU A 27 -12.993 -0.735 -10.387 1.00 0.00 N ATOM 392 CA GLU A 27 -13.802 -1.941 -10.055 1.00 0.00 C ATOM 393 C GLU A 27 -14.265 -1.860 -8.599 1.00 0.00 C ATOM 394 O GLU A 27 -14.015 -0.890 -7.911 1.00 0.00 O ATOM 395 CB GLU A 27 -12.950 -3.197 -10.250 1.00 0.00 C ATOM 396 CG GLU A 27 -12.767 -3.464 -11.745 1.00 0.00 C ATOM 397 CD GLU A 27 -13.847 -4.435 -12.226 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.817 -4.614 -11.508 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.687 -4.982 -13.305 1.00 0.00 O ATOM 0 H GLU A 27 -12.151 -0.609 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.671 -1.986 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.979 -3.068 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.430 -4.052 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.829 -2.529 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.778 -3.882 -11.932 1.00 0.00 H new ATOM 406 N ALA A 28 -14.939 -2.872 -8.124 1.00 0.00 N ATOM 407 CA ALA A 28 -15.417 -2.851 -6.712 1.00 0.00 C ATOM 408 C ALA A 28 -14.380 -3.528 -5.813 1.00 0.00 C ATOM 409 O ALA A 28 -13.718 -4.466 -6.211 1.00 0.00 O ATOM 410 CB ALA A 28 -16.746 -3.602 -6.613 1.00 0.00 C ATOM 0 H ALA A 28 -15.179 -3.711 -8.652 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.558 -1.819 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.096 -3.587 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.485 -3.120 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.605 -4.634 -6.934 1.00 0.00 H new ATOM 416 N VAL A 29 -14.233 -3.060 -4.604 1.00 0.00 N ATOM 417 CA VAL A 29 -13.239 -3.677 -3.681 1.00 0.00 C ATOM 418 C VAL A 29 -13.834 -3.768 -2.276 1.00 0.00 C ATOM 419 O VAL A 29 -14.670 -2.973 -1.892 1.00 0.00 O ATOM 420 CB VAL A 29 -11.975 -2.816 -3.644 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.959 -3.441 -2.687 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.370 -2.739 -5.048 1.00 0.00 C ATOM 0 H VAL A 29 -14.758 -2.277 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.988 -4.677 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.229 -1.813 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.059 -2.827 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.388 -3.498 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.705 -4.444 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.469 -2.126 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.116 -3.742 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.093 -2.294 -5.732 1.00 0.00 H new ATOM 432 N LYS A 30 -13.412 -4.732 -1.504 1.00 0.00 N ATOM 433 CA LYS A 30 -13.955 -4.873 -0.124 1.00 0.00 C ATOM 434 C LYS A 30 -12.798 -4.920 0.877 1.00 0.00 C ATOM 435 O LYS A 30 -11.776 -5.528 0.629 1.00 0.00 O ATOM 436 CB LYS A 30 -14.768 -6.166 -0.025 1.00 0.00 C ATOM 437 CG LYS A 30 -16.178 -5.926 -0.566 1.00 0.00 C ATOM 438 CD LYS A 30 -16.217 -6.266 -2.057 1.00 0.00 C ATOM 439 CE LYS A 30 -17.648 -6.115 -2.578 1.00 0.00 C ATOM 440 NZ LYS A 30 -17.653 -6.252 -4.063 1.00 0.00 N ATOM 0 H LYS A 30 -12.715 -5.428 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.597 -4.022 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.280 -6.959 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.817 -6.499 1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.897 -6.540 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.466 -4.886 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.546 -5.607 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.866 -7.285 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.291 -6.872 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.051 -5.144 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.625 -6.149 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.052 -5.514 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.285 -7.188 -4.326 1.00 0.00 H new ATOM 454 N ARG A 31 -12.951 -4.278 2.004 1.00 0.00 N ATOM 455 CA ARG A 31 -11.862 -4.282 3.019 1.00 0.00 C ATOM 456 C ARG A 31 -11.274 -5.689 3.139 1.00 0.00 C ATOM 457 O ARG A 31 -11.937 -6.674 2.878 1.00 0.00 O ATOM 458 CB ARG A 31 -12.427 -3.850 4.374 1.00 0.00 C ATOM 459 CG ARG A 31 -11.283 -3.682 5.375 1.00 0.00 C ATOM 460 CD ARG A 31 -11.244 -4.889 6.314 1.00 0.00 C ATOM 461 NE ARG A 31 -11.523 -4.444 7.708 1.00 0.00 N ATOM 462 CZ ARG A 31 -11.926 -5.306 8.600 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.815 -6.208 8.282 1.00 0.00 N ATOM 464 NH2 ARG A 31 -11.439 -5.268 9.811 1.00 0.00 N ATOM 0 H ARG A 31 -13.784 -3.751 2.264 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.080 -3.589 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.973 -2.913 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.136 -4.594 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.334 -3.588 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.420 -2.766 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.981 -5.629 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.268 -5.371 6.263 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.399 -3.465 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.195 -6.239 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.130 -6.882 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.744 -4.564 10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.754 -5.942 10.509 1.00 0.00 H new ATOM 478 N ASP A 32 -10.034 -5.793 3.531 1.00 0.00 N ATOM 479 CA ASP A 32 -9.405 -7.137 3.666 1.00 0.00 C ATOM 480 C ASP A 32 -9.353 -7.816 2.295 1.00 0.00 C ATOM 481 O ASP A 32 -9.617 -8.996 2.166 1.00 0.00 O ATOM 482 CB ASP A 32 -10.231 -7.993 4.628 1.00 0.00 C ATOM 483 CG ASP A 32 -9.384 -9.164 5.127 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.452 -9.534 4.432 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.681 -9.673 6.196 1.00 0.00 O ATOM 0 H ASP A 32 -9.429 -5.005 3.764 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.393 -7.027 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.568 -7.389 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.124 -8.365 4.125 1.00 0.00 H new ATOM 490 N GLU A 33 -9.015 -7.082 1.272 1.00 0.00 N ATOM 491 CA GLU A 33 -8.946 -7.686 -0.090 1.00 0.00 C ATOM 492 C GLU A 33 -7.677 -7.208 -0.797 1.00 0.00 C ATOM 493 O GLU A 33 -7.509 -6.035 -1.065 1.00 0.00 O ATOM 494 CB GLU A 33 -10.173 -7.259 -0.899 1.00 0.00 C ATOM 495 CG GLU A 33 -10.070 -7.824 -2.317 1.00 0.00 C ATOM 496 CD GLU A 33 -11.306 -8.675 -2.618 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.970 -9.074 -1.676 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.565 -8.914 -3.786 1.00 0.00 O ATOM 0 H GLU A 33 -8.783 -6.090 1.319 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.926 -8.773 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.082 -7.619 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.239 -6.172 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.990 -7.011 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.167 -8.427 -2.415 1.00 0.00 H new ATOM 505 N LEU A 34 -6.780 -8.107 -1.098 1.00 0.00 N ATOM 506 CA LEU A 34 -5.522 -7.709 -1.785 1.00 0.00 C ATOM 507 C LEU A 34 -5.841 -6.707 -2.899 1.00 0.00 C ATOM 508 O LEU A 34 -6.850 -6.810 -3.567 1.00 0.00 O ATOM 509 CB LEU A 34 -4.858 -8.949 -2.387 1.00 0.00 C ATOM 510 CG LEU A 34 -3.520 -8.561 -3.016 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.646 -7.860 -1.974 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.806 -9.822 -3.510 1.00 0.00 C ATOM 0 H LEU A 34 -6.866 -9.103 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.846 -7.246 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.703 -9.702 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.510 -9.394 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.697 -7.887 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.693 -7.584 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.152 -6.963 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.469 -8.533 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.851 -9.547 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.632 -10.494 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.426 -10.323 -4.253 1.00 0.00 H new ATOM 524 N ILE A 35 -4.991 -5.738 -3.101 1.00 0.00 N ATOM 525 CA ILE A 35 -5.250 -4.731 -4.168 1.00 0.00 C ATOM 526 C ILE A 35 -4.042 -4.654 -5.105 1.00 0.00 C ATOM 527 O ILE A 35 -4.181 -4.649 -6.311 1.00 0.00 O ATOM 528 CB ILE A 35 -5.488 -3.361 -3.530 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.852 -3.356 -2.833 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.466 -2.281 -4.612 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.208 -1.926 -2.422 1.00 0.00 C ATOM 0 H ILE A 35 -4.129 -5.600 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.132 -5.026 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.703 -3.159 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.615 -3.755 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.827 -4.003 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.636 -1.306 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.497 -2.285 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.250 -2.481 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.179 -1.921 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.449 -1.544 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.250 -1.293 -3.308 1.00 0.00 H new ATOM 543 N VAL A 36 -2.858 -4.591 -4.559 1.00 0.00 N ATOM 544 CA VAL A 36 -1.646 -4.512 -5.423 1.00 0.00 C ATOM 545 C VAL A 36 -0.407 -4.876 -4.601 1.00 0.00 C ATOM 546 O VAL A 36 -0.336 -4.612 -3.419 1.00 0.00 O ATOM 547 CB VAL A 36 -1.498 -3.089 -5.965 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.414 -2.104 -4.797 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.222 -2.994 -6.804 1.00 0.00 C ATOM 0 H VAL A 36 -2.678 -4.591 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.747 -5.209 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.361 -2.845 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.309 -1.090 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.322 -2.172 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.551 -2.348 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.115 -1.981 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.640 -3.238 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.281 -3.696 -7.636 1.00 0.00 H new ATOM 559 N ASP A 37 0.570 -5.480 -5.222 1.00 0.00 N ATOM 560 CA ASP A 37 1.803 -5.860 -4.477 1.00 0.00 C ATOM 561 C ASP A 37 2.938 -4.904 -4.850 1.00 0.00 C ATOM 562 O ASP A 37 2.896 -4.243 -5.868 1.00 0.00 O ATOM 563 CB ASP A 37 2.200 -7.291 -4.845 1.00 0.00 C ATOM 564 CG ASP A 37 1.482 -8.275 -3.919 1.00 0.00 C ATOM 565 OD1 ASP A 37 2.036 -8.591 -2.879 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.391 -8.696 -4.266 1.00 0.00 O ATOM 0 H ASP A 37 0.567 -5.726 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 37 1.614 -5.800 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.939 -7.496 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.279 -7.414 -4.757 1.00 0.00 H new ATOM 571 N ILE A 38 3.953 -4.824 -4.033 1.00 0.00 N ATOM 572 CA ILE A 38 5.088 -3.909 -4.343 1.00 0.00 C ATOM 573 C ILE A 38 6.407 -4.678 -4.234 1.00 0.00 C ATOM 574 O ILE A 38 6.539 -5.593 -3.446 1.00 0.00 O ATOM 575 CB ILE A 38 5.092 -2.747 -3.350 1.00 0.00 C ATOM 576 CG1 ILE A 38 6.278 -1.828 -3.647 1.00 0.00 C ATOM 577 CG2 ILE A 38 5.215 -3.292 -1.926 1.00 0.00 C ATOM 578 CD1 ILE A 38 5.847 -0.369 -3.485 1.00 0.00 C ATOM 0 H ILE A 38 4.045 -5.352 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 38 4.976 -3.521 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 38 4.163 -2.185 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.103 -2.052 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.641 -2.001 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.218 -2.463 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.371 -3.948 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.144 -3.854 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.692 0.286 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.036 -0.150 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.505 -0.202 -2.463 1.00 0.00 H new ATOM 590 N GLU A 39 7.384 -4.312 -5.018 1.00 0.00 N ATOM 591 CA GLU A 39 8.693 -5.021 -4.958 1.00 0.00 C ATOM 592 C GLU A 39 9.729 -4.123 -4.279 1.00 0.00 C ATOM 593 O GLU A 39 9.659 -2.913 -4.352 1.00 0.00 O ATOM 594 CB GLU A 39 9.159 -5.354 -6.377 1.00 0.00 C ATOM 595 CG GLU A 39 8.002 -5.975 -7.161 1.00 0.00 C ATOM 596 CD GLU A 39 8.195 -7.491 -7.240 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.862 -8.030 -6.373 1.00 0.00 O ATOM 598 OE2 GLU A 39 7.672 -8.088 -8.167 1.00 0.00 O ATOM 0 H GLU A 39 7.332 -3.553 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 39 8.581 -5.943 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.508 -4.451 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.001 -6.045 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.054 -5.743 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.959 -5.550 -8.164 1.00 0.00 H new ATOM 605 N THR A 40 10.691 -4.707 -3.617 1.00 0.00 N ATOM 606 CA THR A 40 11.730 -3.886 -2.934 1.00 0.00 C ATOM 607 C THR A 40 13.112 -4.482 -3.209 1.00 0.00 C ATOM 608 O THR A 40 13.253 -5.425 -3.961 1.00 0.00 O ATOM 609 CB THR A 40 11.468 -3.882 -1.426 1.00 0.00 C ATOM 610 OG1 THR A 40 10.190 -4.448 -1.168 1.00 0.00 O ATOM 611 CG2 THR A 40 11.506 -2.444 -0.904 1.00 0.00 C ATOM 0 H THR A 40 10.802 -5.716 -3.520 1.00 0.00 H new ATOM 0 HA THR A 40 11.692 -2.864 -3.312 1.00 0.00 H new ATOM 0 HB THR A 40 12.235 -4.470 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.267 -5.424 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.319 -2.442 0.170 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.486 -2.011 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.740 -1.854 -1.407 1.00 0.00 H new ATOM 619 N ASP A 41 14.134 -3.936 -2.606 1.00 0.00 N ATOM 620 CA ASP A 41 15.507 -4.466 -2.830 1.00 0.00 C ATOM 621 C ASP A 41 15.477 -5.995 -2.813 1.00 0.00 C ATOM 622 O ASP A 41 15.674 -6.642 -3.823 1.00 0.00 O ATOM 623 CB ASP A 41 16.436 -3.962 -1.724 1.00 0.00 C ATOM 624 CG ASP A 41 17.851 -3.798 -2.280 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.149 -4.425 -3.284 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.614 -3.048 -1.693 1.00 0.00 O ATOM 0 H ASP A 41 14.075 -3.144 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 41 15.873 -4.122 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.074 -3.010 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.441 -4.664 -0.891 1.00 0.00 H new ATOM 631 N LYS A 42 15.231 -6.581 -1.672 1.00 0.00 N ATOM 632 CA LYS A 42 15.188 -8.067 -1.592 1.00 0.00 C ATOM 633 C LYS A 42 13.975 -8.499 -0.765 1.00 0.00 C ATOM 634 O LYS A 42 14.029 -9.457 -0.021 1.00 0.00 O ATOM 635 CB LYS A 42 16.467 -8.579 -0.926 1.00 0.00 C ATOM 636 CG LYS A 42 17.686 -7.985 -1.636 1.00 0.00 C ATOM 637 CD LYS A 42 18.862 -8.957 -1.530 1.00 0.00 C ATOM 638 CE LYS A 42 19.845 -8.457 -0.471 1.00 0.00 C ATOM 639 NZ LYS A 42 20.713 -7.398 -1.060 1.00 0.00 N ATOM 0 H LYS A 42 15.058 -6.094 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 42 15.109 -8.482 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.476 -8.302 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.502 -9.668 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.452 -7.793 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.950 -7.027 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.502 -9.952 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.363 -9.044 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.302 -8.061 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.456 -9.283 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.382 -7.057 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.241 -7.790 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.122 -6.606 -1.386 1.00 0.00 H new ATOM 653 N VAL A 43 12.881 -7.798 -0.891 1.00 0.00 N ATOM 654 CA VAL A 43 11.666 -8.169 -0.112 1.00 0.00 C ATOM 655 C VAL A 43 10.416 -7.728 -0.876 1.00 0.00 C ATOM 656 O VAL A 43 10.450 -6.794 -1.655 1.00 0.00 O ATOM 657 CB VAL A 43 11.702 -7.475 1.250 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.450 -7.845 2.046 1.00 0.00 C ATOM 659 CG2 VAL A 43 12.946 -7.927 2.019 1.00 0.00 C ATOM 0 H VAL A 43 12.776 -6.986 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 43 11.642 -9.249 0.031 1.00 0.00 H new ATOM 0 HB VAL A 43 11.734 -6.395 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.476 -7.350 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.563 -7.524 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.417 -8.925 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.973 -7.433 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 43 12.913 -9.007 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.839 -7.663 1.453 1.00 0.00 H new ATOM 669 N VAL A 44 9.312 -8.390 -0.662 1.00 0.00 N ATOM 670 CA VAL A 44 8.062 -8.006 -1.377 1.00 0.00 C ATOM 671 C VAL A 44 6.959 -7.722 -0.357 1.00 0.00 C ATOM 672 O VAL A 44 6.720 -8.499 0.547 1.00 0.00 O ATOM 673 CB VAL A 44 7.627 -9.152 -2.292 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.218 -10.357 -1.445 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.437 -8.700 -3.142 1.00 0.00 C ATOM 0 H VAL A 44 9.222 -9.180 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 44 8.244 -7.112 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 44 8.456 -9.431 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.908 -11.173 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.064 -10.679 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.389 -10.079 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.126 -9.515 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.609 -8.421 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.728 -7.841 -3.747 1.00 0.00 H new ATOM 685 N MET A 45 6.283 -6.614 -0.492 1.00 0.00 N ATOM 686 CA MET A 45 5.196 -6.282 0.470 1.00 0.00 C ATOM 687 C MET A 45 3.839 -6.441 -0.218 1.00 0.00 C ATOM 688 O MET A 45 3.760 -6.741 -1.394 1.00 0.00 O ATOM 689 CB MET A 45 5.359 -4.837 0.946 1.00 0.00 C ATOM 690 CG MET A 45 6.283 -4.802 2.165 1.00 0.00 C ATOM 691 SD MET A 45 7.611 -3.604 1.883 1.00 0.00 S ATOM 692 CE MET A 45 7.411 -2.677 3.424 1.00 0.00 C ATOM 0 H MET A 45 6.437 -5.924 -1.228 1.00 0.00 H new ATOM 0 HA MET A 45 5.251 -6.955 1.325 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.772 -4.224 0.145 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.387 -4.415 1.201 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.717 -4.530 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.704 -5.791 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.145 -1.872 3.462 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.407 -2.255 3.467 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.561 -3.345 4.272 1.00 0.00 H new ATOM 702 N GLU A 46 2.769 -6.242 0.503 1.00 0.00 N ATOM 703 CA GLU A 46 1.419 -6.383 -0.111 1.00 0.00 C ATOM 704 C GLU A 46 0.577 -5.151 0.222 1.00 0.00 C ATOM 705 O GLU A 46 0.764 -4.518 1.243 1.00 0.00 O ATOM 706 CB GLU A 46 0.736 -7.635 0.441 1.00 0.00 C ATOM 707 CG GLU A 46 1.722 -8.804 0.431 1.00 0.00 C ATOM 708 CD GLU A 46 2.197 -9.085 1.858 1.00 0.00 C ATOM 709 OE1 GLU A 46 3.168 -8.472 2.269 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.582 -9.910 2.513 1.00 0.00 O ATOM 0 H GLU A 46 2.772 -5.988 1.491 1.00 0.00 H new ATOM 0 HA GLU A 46 1.518 -6.472 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.384 -7.452 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.139 -7.879 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.246 -9.691 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.574 -8.569 -0.207 1.00 0.00 H new ATOM 717 N VAL A 47 -0.350 -4.805 -0.629 1.00 0.00 N ATOM 718 CA VAL A 47 -1.203 -3.614 -0.359 1.00 0.00 C ATOM 719 C VAL A 47 -2.674 -4.032 -0.353 1.00 0.00 C ATOM 720 O VAL A 47 -3.299 -4.154 -1.389 1.00 0.00 O ATOM 721 CB VAL A 47 -0.974 -2.566 -1.448 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.775 -1.304 -1.121 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.515 -2.218 -1.514 1.00 0.00 C ATOM 0 H VAL A 47 -0.553 -5.296 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.942 -3.192 0.611 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.300 -2.965 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.611 -0.557 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.836 -1.549 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.449 -0.905 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.680 -1.471 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.839 -1.820 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.088 -3.115 -1.747 1.00 0.00 H new ATOM 733 N LEU A 48 -3.235 -4.252 0.805 1.00 0.00 N ATOM 734 CA LEU A 48 -4.666 -4.662 0.874 1.00 0.00 C ATOM 735 C LEU A 48 -5.548 -3.418 0.995 1.00 0.00 C ATOM 736 O LEU A 48 -5.069 -2.325 1.228 1.00 0.00 O ATOM 737 CB LEU A 48 -4.880 -5.559 2.096 1.00 0.00 C ATOM 738 CG LEU A 48 -5.280 -6.962 1.635 1.00 0.00 C ATOM 739 CD1 LEU A 48 -4.051 -7.689 1.087 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.846 -7.744 2.822 1.00 0.00 C ATOM 0 H LEU A 48 -2.764 -4.165 1.706 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.932 -5.209 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.967 -5.606 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.656 -5.140 2.737 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.036 -6.886 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.336 -8.689 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.645 -7.132 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.295 -7.766 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.132 -8.744 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.089 -7.819 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.721 -7.226 3.215 1.00 0.00 H new ATOM 752 N ALA A 49 -6.835 -3.574 0.841 1.00 0.00 N ATOM 753 CA ALA A 49 -7.745 -2.399 0.947 1.00 0.00 C ATOM 754 C ALA A 49 -8.099 -2.161 2.417 1.00 0.00 C ATOM 755 O ALA A 49 -8.376 -3.084 3.156 1.00 0.00 O ATOM 756 CB ALA A 49 -9.024 -2.673 0.154 1.00 0.00 C ATOM 0 H ALA A 49 -7.295 -4.464 0.647 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.249 -1.516 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.691 -1.814 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.773 -2.845 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.521 -3.555 0.558 1.00 0.00 H new ATOM 762 N GLU A 50 -8.091 -0.929 2.846 1.00 0.00 N ATOM 763 CA GLU A 50 -8.427 -0.633 4.267 1.00 0.00 C ATOM 764 C GLU A 50 -9.888 -0.191 4.366 1.00 0.00 C ATOM 765 O GLU A 50 -10.317 0.350 5.365 1.00 0.00 O ATOM 766 CB GLU A 50 -7.519 0.487 4.782 1.00 0.00 C ATOM 767 CG GLU A 50 -6.637 -0.049 5.912 1.00 0.00 C ATOM 768 CD GLU A 50 -7.503 -0.345 7.139 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.462 0.379 7.351 1.00 0.00 O ATOM 770 OE2 GLU A 50 -7.192 -1.289 7.845 1.00 0.00 O ATOM 0 H GLU A 50 -7.866 -0.115 2.274 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.278 -1.529 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.898 0.868 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.121 1.322 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.124 -0.955 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.867 0.681 6.164 1.00 0.00 H new ATOM 777 N ALA A 51 -10.656 -0.417 3.335 1.00 0.00 N ATOM 778 CA ALA A 51 -12.089 -0.009 3.371 1.00 0.00 C ATOM 779 C ALA A 51 -12.719 -0.237 1.995 1.00 0.00 C ATOM 780 O ALA A 51 -12.150 0.103 0.977 1.00 0.00 O ATOM 781 CB ALA A 51 -12.189 1.473 3.738 1.00 0.00 C ATOM 0 H ALA A 51 -10.353 -0.866 2.471 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.617 -0.604 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.237 1.771 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.741 1.636 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.661 2.069 2.994 1.00 0.00 H new ATOM 787 N ASP A 52 -13.891 -0.809 1.957 1.00 0.00 N ATOM 788 CA ASP A 52 -14.556 -1.058 0.647 1.00 0.00 C ATOM 789 C ASP A 52 -14.639 0.255 -0.136 1.00 0.00 C ATOM 790 O ASP A 52 -14.353 1.319 0.376 1.00 0.00 O ATOM 791 CB ASP A 52 -15.962 -1.637 0.895 1.00 0.00 C ATOM 792 CG ASP A 52 -16.932 -1.235 -0.222 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.262 -0.062 -0.301 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.329 -2.106 -0.978 1.00 0.00 O ATOM 0 H ASP A 52 -14.417 -1.115 2.776 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.980 -1.776 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.905 -2.724 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.340 -1.282 1.854 1.00 0.00 H new ATOM 799 N GLY A 53 -15.030 0.180 -1.375 1.00 0.00 N ATOM 800 CA GLY A 53 -15.135 1.414 -2.204 1.00 0.00 C ATOM 801 C GLY A 53 -14.695 1.107 -3.637 1.00 0.00 C ATOM 802 O GLY A 53 -14.776 -0.016 -4.094 1.00 0.00 O ATOM 0 H GLY A 53 -15.283 -0.685 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.161 1.782 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.511 2.202 -1.782 1.00 0.00 H new ATOM 806 N VAL A 54 -14.229 2.096 -4.349 1.00 0.00 N ATOM 807 CA VAL A 54 -13.785 1.859 -5.752 1.00 0.00 C ATOM 808 C VAL A 54 -12.466 2.594 -5.999 1.00 0.00 C ATOM 809 O VAL A 54 -12.306 3.742 -5.635 1.00 0.00 O ATOM 810 CB VAL A 54 -14.849 2.380 -6.719 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.307 2.333 -8.149 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.100 1.503 -6.620 1.00 0.00 C ATOM 0 H VAL A 54 -14.136 3.057 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.642 0.791 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.103 3.408 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.066 2.704 -8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.415 2.956 -8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.053 1.305 -8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.859 1.873 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.845 0.475 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.487 1.535 -5.602 1.00 0.00 H new ATOM 822 N ILE A 55 -11.519 1.942 -6.617 1.00 0.00 N ATOM 823 CA ILE A 55 -10.212 2.604 -6.888 1.00 0.00 C ATOM 824 C ILE A 55 -10.431 3.814 -7.797 1.00 0.00 C ATOM 825 O ILE A 55 -11.496 4.002 -8.351 1.00 0.00 O ATOM 826 CB ILE A 55 -9.275 1.611 -7.576 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.173 0.339 -6.729 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.888 2.238 -7.730 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.323 0.615 -5.486 1.00 0.00 C ATOM 0 H ILE A 55 -11.594 0.979 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.768 2.933 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.668 1.361 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.168 0.006 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.728 -0.465 -7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.221 1.529 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.963 3.143 -8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.491 2.489 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.252 -0.292 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.324 0.928 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.787 1.406 -4.896 1.00 0.00 H new ATOM 841 N ALA A 56 -9.431 4.638 -7.955 1.00 0.00 N ATOM 842 CA ALA A 56 -9.583 5.835 -8.829 1.00 0.00 C ATOM 843 C ALA A 56 -8.920 5.568 -10.182 1.00 0.00 C ATOM 844 O ALA A 56 -9.568 5.553 -11.210 1.00 0.00 O ATOM 845 CB ALA A 56 -8.916 7.039 -8.163 1.00 0.00 C ATOM 0 H ALA A 56 -8.516 4.534 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.642 6.043 -8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.026 7.915 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.389 7.230 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.857 6.831 -8.013 1.00 0.00 H new ATOM 851 N GLU A 57 -7.633 5.356 -10.190 1.00 0.00 N ATOM 852 CA GLU A 57 -6.930 5.089 -11.477 1.00 0.00 C ATOM 853 C GLU A 57 -5.448 4.824 -11.203 1.00 0.00 C ATOM 854 O GLU A 57 -4.795 5.565 -10.495 1.00 0.00 O ATOM 855 CB GLU A 57 -7.070 6.306 -12.395 1.00 0.00 C ATOM 856 CG GLU A 57 -7.915 5.930 -13.614 1.00 0.00 C ATOM 857 CD GLU A 57 -7.583 6.870 -14.774 1.00 0.00 C ATOM 858 OE1 GLU A 57 -6.415 7.178 -14.947 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.504 7.266 -15.471 1.00 0.00 O ATOM 0 H GLU A 57 -7.038 5.356 -9.362 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.371 4.217 -11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.537 7.130 -11.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.086 6.650 -12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.719 4.897 -13.901 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.975 5.997 -13.370 1.00 0.00 H new ATOM 866 N ILE A 58 -4.910 3.774 -11.761 1.00 0.00 N ATOM 867 CA ILE A 58 -3.471 3.464 -11.532 1.00 0.00 C ATOM 868 C ILE A 58 -2.625 4.150 -12.607 1.00 0.00 C ATOM 869 O ILE A 58 -2.849 3.981 -13.789 1.00 0.00 O ATOM 870 CB ILE A 58 -3.256 1.950 -11.604 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.239 1.250 -10.663 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.824 1.617 -11.183 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.216 1.937 -9.296 1.00 0.00 C ATOM 0 H ILE A 58 -5.405 3.118 -12.365 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.174 3.826 -10.548 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.423 1.608 -12.625 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.245 1.283 -11.081 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.972 0.199 -10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.671 0.539 -11.234 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.123 2.115 -11.852 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.656 1.959 -10.162 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.916 1.438 -8.626 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.211 1.881 -8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.504 2.982 -9.409 1.00 0.00 H new ATOM 885 N VAL A 59 -1.656 4.926 -12.205 1.00 0.00 N ATOM 886 CA VAL A 59 -0.798 5.624 -13.203 1.00 0.00 C ATOM 887 C VAL A 59 0.399 4.738 -13.555 1.00 0.00 C ATOM 888 O VAL A 59 0.884 4.749 -14.669 1.00 0.00 O ATOM 889 CB VAL A 59 -0.299 6.944 -12.612 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.492 7.712 -13.671 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.496 7.784 -12.163 1.00 0.00 C ATOM 0 H VAL A 59 -1.422 5.107 -11.229 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.378 5.825 -14.103 1.00 0.00 H new ATOM 0 HB VAL A 59 0.345 6.739 -11.757 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.847 8.652 -13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.344 7.114 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.151 7.918 -14.527 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.143 8.725 -11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.139 7.989 -13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.061 7.238 -11.408 1.00 0.00 H new ATOM 901 N LYS A 60 0.879 3.972 -12.615 1.00 0.00 N ATOM 902 CA LYS A 60 2.043 3.087 -12.896 1.00 0.00 C ATOM 903 C LYS A 60 1.543 1.695 -13.288 1.00 0.00 C ATOM 904 O LYS A 60 0.560 1.209 -12.765 1.00 0.00 O ATOM 905 CB LYS A 60 2.919 2.981 -11.647 1.00 0.00 C ATOM 906 CG LYS A 60 4.315 3.528 -11.953 1.00 0.00 C ATOM 907 CD LYS A 60 4.254 5.052 -12.067 1.00 0.00 C ATOM 908 CE LYS A 60 5.338 5.537 -13.031 1.00 0.00 C ATOM 909 NZ LYS A 60 4.891 6.798 -13.688 1.00 0.00 N ATOM 0 H LYS A 60 0.515 3.921 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 60 2.628 3.507 -13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.470 3.540 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.987 1.942 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.011 3.240 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.690 3.098 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.271 5.361 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.395 5.506 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.270 5.706 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.539 4.774 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.628 7.128 -14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.012 6.622 -14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.721 7.525 -12.964 1.00 0.00 H new ATOM 923 N ASN A 61 2.212 1.049 -14.203 1.00 0.00 N ATOM 924 CA ASN A 61 1.773 -0.310 -14.627 1.00 0.00 C ATOM 925 C ASN A 61 2.792 -1.348 -14.152 1.00 0.00 C ATOM 926 O ASN A 61 3.900 -1.017 -13.778 1.00 0.00 O ATOM 927 CB ASN A 61 1.666 -0.360 -16.152 1.00 0.00 C ATOM 928 CG ASN A 61 0.543 0.569 -16.618 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.615 0.207 -16.578 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.840 1.760 -17.061 1.00 0.00 N ATOM 0 H ASN A 61 3.044 1.404 -14.675 1.00 0.00 H new ATOM 0 HA ASN A 61 0.800 -0.530 -14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.612 -0.059 -16.603 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.467 -1.380 -16.480 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.099 2.387 -17.374 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.813 2.064 -17.094 1.00 0.00 H new ATOM 937 N GLU A 62 2.427 -2.600 -14.164 1.00 0.00 N ATOM 938 CA GLU A 62 3.375 -3.658 -13.714 1.00 0.00 C ATOM 939 C GLU A 62 4.636 -3.615 -14.579 1.00 0.00 C ATOM 940 O GLU A 62 4.585 -3.309 -15.753 1.00 0.00 O ATOM 941 CB GLU A 62 2.711 -5.029 -13.849 1.00 0.00 C ATOM 942 CG GLU A 62 1.390 -5.036 -13.078 1.00 0.00 C ATOM 943 CD GLU A 62 0.583 -6.278 -13.461 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.195 -7.278 -13.798 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.634 -6.208 -13.412 1.00 0.00 O ATOM 0 H GLU A 62 1.513 -2.937 -14.466 1.00 0.00 H new ATOM 0 HA GLU A 62 3.643 -3.485 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.532 -5.256 -14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.373 -5.805 -13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.583 -5.031 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.820 -4.135 -13.304 1.00 0.00 H new ATOM 952 N GLY A 63 5.770 -3.921 -14.008 1.00 0.00 N ATOM 953 CA GLY A 63 7.032 -3.900 -14.799 1.00 0.00 C ATOM 954 C GLY A 63 7.622 -2.488 -14.788 1.00 0.00 C ATOM 955 O GLY A 63 8.576 -2.198 -15.481 1.00 0.00 O ATOM 0 H GLY A 63 5.876 -4.184 -13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.748 -4.607 -14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.836 -4.215 -15.824 1.00 0.00 H new ATOM 959 N ASP A 64 7.061 -1.606 -14.005 1.00 0.00 N ATOM 960 CA ASP A 64 7.591 -0.215 -13.952 1.00 0.00 C ATOM 961 C ASP A 64 8.365 -0.015 -12.647 1.00 0.00 C ATOM 962 O ASP A 64 8.342 -0.848 -11.762 1.00 0.00 O ATOM 963 CB ASP A 64 6.418 0.779 -14.050 1.00 0.00 C ATOM 964 CG ASP A 64 6.727 2.077 -13.295 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.494 2.114 -12.098 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.192 3.010 -13.928 1.00 0.00 O ATOM 0 H ASP A 64 6.260 -1.789 -13.401 1.00 0.00 H new ATOM 0 HA ASP A 64 8.269 -0.040 -14.787 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.215 1.004 -15.097 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.516 0.323 -13.641 1.00 0.00 H new ATOM 971 N THR A 65 9.049 1.086 -12.528 1.00 0.00 N ATOM 972 CA THR A 65 9.829 1.355 -11.288 1.00 0.00 C ATOM 973 C THR A 65 9.135 2.452 -10.477 1.00 0.00 C ATOM 974 O THR A 65 8.547 3.364 -11.025 1.00 0.00 O ATOM 975 CB THR A 65 11.240 1.813 -11.662 1.00 0.00 C ATOM 976 OG1 THR A 65 11.774 0.939 -12.646 1.00 0.00 O ATOM 977 CG2 THR A 65 12.132 1.791 -10.419 1.00 0.00 C ATOM 0 H THR A 65 9.102 1.815 -13.239 1.00 0.00 H new ATOM 0 HA THR A 65 9.889 0.445 -10.692 1.00 0.00 H new ATOM 0 HB THR A 65 11.200 2.827 -12.059 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.677 1.232 -12.888 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.137 2.117 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.721 2.462 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.174 0.778 -10.019 1.00 0.00 H new ATOM 985 N VAL A 66 9.199 2.372 -9.176 1.00 0.00 N ATOM 986 CA VAL A 66 8.543 3.410 -8.333 1.00 0.00 C ATOM 987 C VAL A 66 9.609 4.182 -7.553 1.00 0.00 C ATOM 988 O VAL A 66 10.541 3.610 -7.024 1.00 0.00 O ATOM 989 CB VAL A 66 7.581 2.737 -7.352 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.321 2.292 -8.096 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.262 1.516 -6.729 1.00 0.00 C ATOM 0 H VAL A 66 9.677 1.633 -8.661 1.00 0.00 H new ATOM 0 HA VAL A 66 7.989 4.099 -8.971 1.00 0.00 H new ATOM 0 HB VAL A 66 7.309 3.443 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.636 1.813 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.836 3.160 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.592 1.585 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.578 1.035 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.533 0.810 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.160 1.832 -6.199 1.00 0.00 H new ATOM 1001 N LEU A 67 9.480 5.478 -7.476 1.00 0.00 N ATOM 1002 CA LEU A 67 10.485 6.285 -6.730 1.00 0.00 C ATOM 1003 C LEU A 67 9.883 6.752 -5.404 1.00 0.00 C ATOM 1004 O LEU A 67 8.717 6.543 -5.133 1.00 0.00 O ATOM 1005 CB LEU A 67 10.883 7.504 -7.566 1.00 0.00 C ATOM 1006 CG LEU A 67 12.359 7.400 -7.951 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.490 7.396 -9.475 1.00 0.00 C ATOM 1008 CD2 LEU A 67 13.120 8.597 -7.378 1.00 0.00 C ATOM 0 H LEU A 67 8.721 6.013 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 67 11.367 5.675 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.266 7.560 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.708 8.419 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 67 12.775 6.477 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.542 7.322 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.947 6.544 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.074 8.319 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 67 14.173 8.524 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.703 9.520 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.027 8.601 -6.292 1.00 0.00 H new ATOM 1020 N SER A 68 10.668 7.382 -4.574 1.00 0.00 N ATOM 1021 CA SER A 68 10.138 7.861 -3.266 1.00 0.00 C ATOM 1022 C SER A 68 9.026 8.882 -3.509 1.00 0.00 C ATOM 1023 O SER A 68 9.190 9.828 -4.254 1.00 0.00 O ATOM 1024 CB SER A 68 11.266 8.517 -2.469 1.00 0.00 C ATOM 1025 OG SER A 68 10.719 9.506 -1.606 1.00 0.00 O ATOM 0 H SER A 68 11.653 7.586 -4.745 1.00 0.00 H new ATOM 0 HA SER A 68 9.739 7.016 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.800 7.766 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.990 8.970 -3.147 1.00 0.00 H new ATOM 0 HG SER A 68 11.307 10.290 -1.593 1.00 0.00 H new ATOM 1031 N GLY A 69 7.893 8.699 -2.887 1.00 0.00 N ATOM 1032 CA GLY A 69 6.772 9.660 -3.084 1.00 0.00 C ATOM 1033 C GLY A 69 6.103 9.396 -4.434 1.00 0.00 C ATOM 1034 O GLY A 69 5.447 10.253 -4.991 1.00 0.00 O ATOM 0 H GLY A 69 7.696 7.926 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.044 9.556 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.145 10.683 -3.045 1.00 0.00 H new ATOM 1038 N GLU A 70 6.264 8.214 -4.965 1.00 0.00 N ATOM 1039 CA GLU A 70 5.637 7.896 -6.278 1.00 0.00 C ATOM 1040 C GLU A 70 4.158 7.563 -6.071 1.00 0.00 C ATOM 1041 O GLU A 70 3.811 6.494 -5.610 1.00 0.00 O ATOM 1042 CB GLU A 70 6.347 6.693 -6.904 1.00 0.00 C ATOM 1043 CG GLU A 70 5.785 6.439 -8.303 1.00 0.00 C ATOM 1044 CD GLU A 70 6.599 7.225 -9.333 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.302 8.392 -9.526 1.00 0.00 O ATOM 1046 OE2 GLU A 70 7.505 6.647 -9.909 1.00 0.00 O ATOM 0 H GLU A 70 6.802 7.456 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 70 5.726 8.757 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.420 6.879 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.209 5.810 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.820 5.374 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.738 6.740 -8.346 1.00 0.00 H new ATOM 1053 N LEU A 71 3.283 8.471 -6.408 1.00 0.00 N ATOM 1054 CA LEU A 71 1.828 8.206 -6.230 1.00 0.00 C ATOM 1055 C LEU A 71 1.332 7.304 -7.362 1.00 0.00 C ATOM 1056 O LEU A 71 1.445 7.634 -8.525 1.00 0.00 O ATOM 1057 CB LEU A 71 1.061 9.530 -6.260 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.381 9.295 -5.812 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.935 10.574 -5.182 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.234 8.915 -7.024 1.00 0.00 C ATOM 0 H LEU A 71 3.513 9.385 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 71 1.663 7.712 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.543 10.256 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.077 9.949 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.407 8.488 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.964 10.406 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.327 10.848 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.910 11.381 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.263 8.747 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.207 9.723 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.840 8.004 -7.475 1.00 0.00 H new ATOM 1072 N LEU A 72 0.784 6.168 -7.029 1.00 0.00 N ATOM 1073 CA LEU A 72 0.282 5.246 -8.087 1.00 0.00 C ATOM 1074 C LEU A 72 -1.199 5.527 -8.344 1.00 0.00 C ATOM 1075 O LEU A 72 -1.576 6.026 -9.386 1.00 0.00 O ATOM 1076 CB LEU A 72 0.454 3.798 -7.625 1.00 0.00 C ATOM 1077 CG LEU A 72 1.902 3.569 -7.187 1.00 0.00 C ATOM 1078 CD1 LEU A 72 1.950 3.359 -5.673 1.00 0.00 C ATOM 1079 CD2 LEU A 72 2.456 2.329 -7.892 1.00 0.00 C ATOM 0 H LEU A 72 0.662 5.838 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 72 0.847 5.403 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.225 3.586 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.195 3.114 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 72 2.504 4.438 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.982 3.196 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.554 4.242 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.349 2.490 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.488 2.164 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.854 1.460 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.422 2.478 -8.971 1.00 0.00 H new ATOM 1091 N GLY A 73 -2.044 5.213 -7.401 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.501 5.462 -7.591 1.00 0.00 C ATOM 1093 C GLY A 73 -4.109 5.961 -6.279 1.00 0.00 C ATOM 1094 O GLY A 73 -3.416 6.175 -5.305 1.00 0.00 O ATOM 0 H GLY A 73 -1.788 4.795 -6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.655 6.199 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.999 4.546 -7.910 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.400 6.149 -6.247 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.050 6.634 -4.997 1.00 0.00 C ATOM 1100 C LYS A 74 -7.419 5.968 -4.842 1.00 0.00 C ATOM 1101 O LYS A 74 -8.133 5.765 -5.805 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.227 8.152 -5.069 1.00 0.00 C ATOM 1103 CG LYS A 74 -6.839 8.658 -3.762 1.00 0.00 C ATOM 1104 CD LYS A 74 -7.567 9.979 -4.016 1.00 0.00 C ATOM 1105 CE LYS A 74 -6.568 11.027 -4.509 1.00 0.00 C ATOM 1106 NZ LYS A 74 -6.952 11.474 -5.878 1.00 0.00 N ATOM 0 H LYS A 74 -6.032 5.988 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.424 6.382 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.264 8.633 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.870 8.414 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.534 7.919 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.059 8.799 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.354 9.836 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.048 10.323 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.552 11.878 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.562 10.609 -4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.273 12.187 -6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.946 10.659 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.905 11.889 -5.853 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.791 5.627 -3.639 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.113 4.974 -3.425 1.00 0.00 C ATOM 1122 C LEU A 75 -10.173 6.045 -3.161 1.00 0.00 C ATOM 1123 O LEU A 75 -9.908 7.055 -2.539 1.00 0.00 O ATOM 1124 CB LEU A 75 -9.028 4.033 -2.220 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.307 3.199 -2.132 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.975 1.727 -2.381 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.920 3.354 -0.739 1.00 0.00 C ATOM 0 H LEU A 75 -7.237 5.772 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.385 4.404 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.161 3.379 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.893 4.609 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.018 3.543 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.887 1.133 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.537 1.616 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.265 1.382 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.832 2.760 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.209 3.010 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.157 4.403 -0.560 1.00 0.00 H new ATOM 1139 N THR A 76 -11.373 5.834 -3.630 1.00 0.00 N ATOM 1140 CA THR A 76 -12.448 6.840 -3.406 1.00 0.00 C ATOM 1141 C THR A 76 -13.046 6.654 -2.015 1.00 0.00 C ATOM 1142 O THR A 76 -12.435 6.095 -1.126 1.00 0.00 O ATOM 1143 CB THR A 76 -13.543 6.672 -4.468 1.00 0.00 C ATOM 1144 OG1 THR A 76 -14.295 7.874 -4.572 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.474 5.514 -4.092 1.00 0.00 C ATOM 0 H THR A 76 -11.654 5.008 -4.158 1.00 0.00 H new ATOM 0 HA THR A 76 -12.024 7.841 -3.483 1.00 0.00 H new ATOM 0 HB THR A 76 -13.074 6.451 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.993 7.766 -5.252 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.246 5.406 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.898 4.591 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.941 5.721 -3.129 1.00 0.00 H new