USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= 1.72 K(o=2.8,f=-3.1) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -172:sc= 0.982 (180deg=0.772) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.229 USER MOD Set 3.1: A 23 MET CE :methyl 172:sc= -0.958 (180deg=-1.11) USER MOD Set 3.2: A 74 HIS : no HE2:sc= 0.796 K(o=-0.16,f=-5.5!) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 137:sc= 2.38 (180deg=-0.0785) USER MOD Set 4.2: A 54 THR OG1 : rot 180:sc= 0.958 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 20 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.89) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 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 31 HIS : no HE2:sc= 0.717 K(o=0.72,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -41:sc= 0.851 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= -0.102 (180deg=-0.221) USER MOD Single : A 57 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -163:sc= -0.703 (180deg=-0.991) USER MOD Single : A 69 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 0.0877 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0.31 K(o=0.31,f=-2.7!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.963 6.466 7.071 1.00 0.00 N ATOM 112 CA LYS A 9 10.861 7.847 6.561 1.00 0.00 C ATOM 113 C LYS A 9 9.723 7.968 5.539 1.00 0.00 C ATOM 114 O LYS A 9 9.546 7.105 4.683 1.00 0.00 O ATOM 115 CB LYS A 9 12.227 8.336 6.051 1.00 0.00 C ATOM 116 CG LYS A 9 12.257 9.866 5.900 1.00 0.00 C ATOM 117 CD LYS A 9 13.691 10.383 5.701 1.00 0.00 C ATOM 118 CE LYS A 9 13.803 11.918 5.644 1.00 0.00 C ATOM 119 NZ LYS A 9 13.325 12.576 6.889 1.00 0.00 N ATOM 0 HA LYS A 9 10.592 8.520 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.009 8.022 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.446 7.870 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.641 10.161 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.822 10.329 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.315 10.014 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.092 9.965 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.842 12.196 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.225 12.289 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.983 13.336 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.379 12.978 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.278 11.875 7.656 1.00 0.00 H new ATOM 133 N LEU A 10 8.940 9.035 5.685 1.00 0.00 N ATOM 134 CA LEU A 10 7.654 9.182 4.986 1.00 0.00 C ATOM 135 C LEU A 10 7.591 10.389 4.059 1.00 0.00 C ATOM 136 O LEU A 10 8.080 11.443 4.436 1.00 0.00 O ATOM 137 CB LEU A 10 6.538 9.359 6.025 1.00 0.00 C ATOM 138 CG LEU A 10 5.753 8.092 6.282 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.512 7.053 7.047 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.397 8.335 6.942 1.00 0.00 C ATOM 0 H LEU A 10 9.174 9.823 6.289 1.00 0.00 H new ATOM 0 HA LEU A 10 7.536 8.283 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.975 9.704 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.856 10.138 5.686 1.00 0.00 H new ATOM 0 HG LEU A 10 5.574 7.700 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.882 6.175 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.405 6.771 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.802 7.455 8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.891 7.382 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.543 8.827 7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.788 8.970 6.299 1.00 0.00 H new ATOM 152 N PHE A 11 6.927 10.245 2.915 1.00 0.00 N ATOM 153 CA PHE A 11 6.617 11.307 1.955 1.00 0.00 C ATOM 154 C PHE A 11 5.124 11.690 2.076 1.00 0.00 C ATOM 155 O PHE A 11 4.238 10.842 1.915 1.00 0.00 O ATOM 156 CB PHE A 11 6.950 10.769 0.548 1.00 0.00 C ATOM 157 CG PHE A 11 6.478 11.535 -0.687 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.200 12.921 -0.684 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.342 10.819 -1.894 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.752 13.559 -1.855 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.934 11.466 -3.073 1.00 0.00 C ATOM 162 CZ PHE A 11 5.629 12.836 -3.052 1.00 0.00 C ATOM 0 H PHE A 11 6.571 9.338 2.615 1.00 0.00 H new ATOM 0 HA PHE A 11 7.203 12.206 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.034 10.681 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.543 9.760 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.332 13.493 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.554 9.760 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.502 14.609 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.855 10.909 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.301 13.332 -3.953 1.00 0.00 H new ATOM 172 N ILE A 12 4.879 12.985 2.350 1.00 0.00 N ATOM 173 CA ILE A 12 3.539 13.550 2.279 1.00 0.00 C ATOM 174 C ILE A 12 3.556 14.433 1.054 1.00 0.00 C ATOM 175 O ILE A 12 4.443 15.276 0.850 1.00 0.00 O ATOM 176 CB ILE A 12 3.165 14.362 3.539 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.389 13.488 4.535 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.248 15.581 3.291 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.962 12.103 4.813 1.00 0.00 C ATOM 0 H ILE A 12 5.600 13.653 2.622 1.00 0.00 H new ATOM 0 HA ILE A 12 2.787 12.763 2.221 1.00 0.00 H new ATOM 0 HB ILE A 12 4.131 14.707 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.322 14.026 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.371 13.368 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.045 16.082 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.742 16.275 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.309 15.246 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.327 11.584 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.002 11.533 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.967 12.201 5.223 1.00 0.00 H new ATOM 191 N GLY A 13 2.524 14.217 0.259 1.00 0.00 N ATOM 192 CA GLY A 13 2.316 14.892 -0.981 1.00 0.00 C ATOM 193 C GLY A 13 1.150 15.840 -0.864 1.00 0.00 C ATOM 194 O GLY A 13 0.032 15.459 -0.507 1.00 0.00 O ATOM 0 H GLY A 13 1.791 13.542 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.215 15.441 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.127 14.166 -1.772 1.00 0.00 H new ATOM 198 N GLY A 14 1.500 17.076 -1.192 1.00 0.00 N ATOM 199 CA GLY A 14 0.536 18.156 -1.288 1.00 0.00 C ATOM 200 C GLY A 14 1.223 19.458 -1.183 1.00 0.00 C ATOM 201 O GLY A 14 1.817 19.879 -2.170 1.00 0.00 O ATOM 0 H GLY A 14 2.459 17.355 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.001 18.093 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.207 18.063 -0.496 1.00 0.00 H new ATOM 205 N LEU A 15 1.174 19.996 0.019 1.00 0.00 N ATOM 206 CA LEU A 15 1.877 21.235 0.360 1.00 0.00 C ATOM 207 C LEU A 15 1.487 22.497 -0.346 1.00 0.00 C ATOM 208 O LEU A 15 1.403 23.529 0.303 1.00 0.00 O ATOM 209 CB LEU A 15 3.372 21.027 0.124 1.00 0.00 C ATOM 210 CG LEU A 15 4.062 19.954 0.960 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.590 20.049 2.383 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.696 18.560 0.475 1.00 0.00 C ATOM 0 H LEU A 15 0.647 19.593 0.794 1.00 0.00 H new ATOM 0 HA LEU A 15 1.589 21.403 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.518 20.783 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.879 21.975 0.305 1.00 0.00 H new ATOM 0 HG LEU A 15 5.137 20.114 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.082 19.283 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.834 21.034 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.511 19.900 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.203 17.816 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.618 18.420 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.005 18.443 -0.564 1.00 0.00 H new ATOM 224 N ASN A 16 1.080 22.373 -1.590 1.00 0.00 N ATOM 225 CA ASN A 16 0.393 23.312 -2.412 1.00 0.00 C ATOM 226 C ASN A 16 0.896 24.770 -2.361 1.00 0.00 C ATOM 227 O ASN A 16 0.134 25.706 -2.605 1.00 0.00 O ATOM 228 CB ASN A 16 -1.054 23.053 -2.010 1.00 0.00 C ATOM 229 CG ASN A 16 -2.064 23.791 -2.869 1.00 0.00 C ATOM 230 OD1 ASN A 16 -2.039 23.702 -4.090 1.00 0.00 O ATOM 231 ND2 ASN A 16 -3.023 24.470 -2.298 1.00 0.00 N ATOM 0 H ASN A 16 1.249 21.504 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 16 0.566 23.171 -3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.253 21.983 -2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.191 23.346 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.740 24.919 -2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.055 24.552 -1.282 1.00 0.00 H new ATOM 238 N ARG A 17 2.186 24.956 -2.035 1.00 0.00 N ATOM 239 CA ARG A 17 2.805 26.251 -1.690 1.00 0.00 C ATOM 240 C ARG A 17 1.953 27.021 -0.651 1.00 0.00 C ATOM 241 O ARG A 17 1.849 28.248 -0.681 1.00 0.00 O ATOM 242 CB ARG A 17 3.121 27.055 -2.970 1.00 0.00 C ATOM 243 CG ARG A 17 3.976 26.358 -4.048 1.00 0.00 C ATOM 244 CD ARG A 17 3.355 25.184 -4.840 1.00 0.00 C ATOM 245 NE ARG A 17 1.972 25.442 -5.280 1.00 0.00 N ATOM 246 CZ ARG A 17 1.103 24.569 -5.758 1.00 0.00 C ATOM 247 NH1 ARG A 17 1.331 23.287 -5.806 1.00 0.00 N ATOM 248 NH2 ARG A 17 -0.051 24.980 -6.190 1.00 0.00 N ATOM 0 H ARG A 17 2.851 24.183 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 17 3.762 26.075 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.176 27.348 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.631 27.972 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.284 27.116 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.881 25.990 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.974 24.977 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.370 24.288 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 17 1.648 26.406 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.216 22.913 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.624 22.657 -6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.283 25.973 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.725 24.310 -6.560 1.00 0.00 H new ATOM 262 N GLU A 18 1.325 26.272 0.258 1.00 0.00 N ATOM 263 CA GLU A 18 0.275 26.663 1.185 1.00 0.00 C ATOM 264 C GLU A 18 0.575 26.205 2.623 1.00 0.00 C ATOM 265 O GLU A 18 0.597 27.049 3.523 1.00 0.00 O ATOM 266 CB GLU A 18 -0.989 25.958 0.676 1.00 0.00 C ATOM 267 CG GLU A 18 -2.186 26.095 1.609 1.00 0.00 C ATOM 268 CD GLU A 18 -3.425 25.485 0.943 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.300 24.347 0.433 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.483 26.155 0.885 1.00 0.00 O ATOM 0 H GLU A 18 1.565 25.287 0.369 1.00 0.00 H new ATOM 0 HA GLU A 18 0.177 27.748 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.253 26.364 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.771 24.900 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.983 25.592 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.363 27.146 1.839 1.00 0.00 H new ATOM 277 N THR A 19 0.807 24.898 2.848 1.00 0.00 N ATOM 278 CA THR A 19 1.052 24.367 4.215 1.00 0.00 C ATOM 279 C THR A 19 2.491 23.883 4.452 1.00 0.00 C ATOM 280 O THR A 19 3.288 23.817 3.511 1.00 0.00 O ATOM 281 CB THR A 19 -0.023 23.357 4.623 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.124 23.317 6.031 1.00 0.00 O ATOM 283 CG2 THR A 19 0.272 21.944 4.154 1.00 0.00 C ATOM 0 H THR A 19 0.831 24.191 2.113 1.00 0.00 H new ATOM 0 HA THR A 19 0.957 25.212 4.897 1.00 0.00 H new ATOM 0 HB THR A 19 -0.947 23.692 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.814 22.671 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.529 21.279 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.341 21.929 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.217 21.608 4.582 1.00 0.00 H new ATOM 291 N ASN A 20 2.841 23.554 5.709 1.00 0.00 N ATOM 292 CA ASN A 20 4.258 23.388 6.103 1.00 0.00 C ATOM 293 C ASN A 20 4.431 22.551 7.386 1.00 0.00 C ATOM 294 O ASN A 20 3.555 21.767 7.723 1.00 0.00 O ATOM 295 CB ASN A 20 4.922 24.786 6.299 1.00 0.00 C ATOM 296 CG ASN A 20 4.895 25.734 5.109 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.052 26.614 5.006 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.840 25.626 4.200 1.00 0.00 N ATOM 0 H ASN A 20 2.173 23.399 6.464 1.00 0.00 H new ATOM 0 HA ASN A 20 4.748 22.844 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.431 25.280 7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.962 24.630 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.868 26.275 3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.545 24.894 4.282 1.00 0.00 H new ATOM 305 N GLU A 21 5.546 22.661 8.129 1.00 0.00 N ATOM 306 CA GLU A 21 5.812 21.796 9.316 1.00 0.00 C ATOM 307 C GLU A 21 4.698 21.719 10.406 1.00 0.00 C ATOM 308 O GLU A 21 4.630 20.826 11.264 1.00 0.00 O ATOM 309 CB GLU A 21 7.229 22.058 9.830 1.00 0.00 C ATOM 310 CG GLU A 21 7.641 21.319 11.103 1.00 0.00 C ATOM 311 CD GLU A 21 8.985 21.841 11.647 1.00 0.00 C ATOM 312 OE1 GLU A 21 10.054 21.484 11.099 1.00 0.00 O ATOM 313 OE2 GLU A 21 8.977 22.629 12.625 1.00 0.00 O ATOM 0 H GLU A 21 6.284 23.338 7.937 1.00 0.00 H new ATOM 0 HA GLU A 21 5.762 20.765 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.932 21.795 9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.335 23.128 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.868 21.440 11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.720 20.252 10.896 1.00 0.00 H new ATOM 320 N LYS A 22 3.807 22.691 10.240 1.00 0.00 N ATOM 321 CA LYS A 22 2.570 22.684 11.025 1.00 0.00 C ATOM 322 C LYS A 22 1.815 21.391 10.745 1.00 0.00 C ATOM 323 O LYS A 22 1.635 20.535 11.617 1.00 0.00 O ATOM 324 CB LYS A 22 1.793 23.931 10.602 1.00 0.00 C ATOM 325 CG LYS A 22 0.494 24.091 11.403 1.00 0.00 C ATOM 326 CD LYS A 22 0.415 25.477 12.019 1.00 0.00 C ATOM 327 CE LYS A 22 1.214 25.367 13.303 1.00 0.00 C ATOM 328 NZ LYS A 22 2.039 26.572 13.584 1.00 0.00 N ATOM 0 H LYS A 22 3.908 23.472 9.592 1.00 0.00 H new ATOM 0 HA LYS A 22 2.742 22.715 12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.417 24.813 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.560 23.871 9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.364 23.927 10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.448 23.335 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.835 26.232 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.617 25.765 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.531 25.200 14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.865 24.494 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.561 26.436 14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.713 26.720 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.421 27.404 13.669 1.00 0.00 H new ATOM 342 N MET A 23 1.544 21.273 9.433 1.00 0.00 N ATOM 343 CA MET A 23 1.003 20.051 8.878 1.00 0.00 C ATOM 344 C MET A 23 1.922 18.909 9.251 1.00 0.00 C ATOM 345 O MET A 23 1.451 17.800 9.385 1.00 0.00 O ATOM 346 CB MET A 23 0.916 20.156 7.333 1.00 0.00 C ATOM 347 CG MET A 23 1.970 19.367 6.576 1.00 0.00 C ATOM 348 SD MET A 23 1.909 18.999 4.822 1.00 0.00 S ATOM 349 CE MET A 23 0.216 18.456 4.592 1.00 0.00 C ATOM 0 H MET A 23 1.696 22.016 8.750 1.00 0.00 H new ATOM 0 HA MET A 23 0.002 19.881 9.274 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.069 19.815 7.016 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.996 21.206 7.050 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.912 19.890 6.741 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.046 18.405 7.082 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.014 18.336 3.528 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.068 17.503 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.464 19.199 5.009 1.00 0.00 H new ATOM 359 N LEU A 24 3.240 19.117 9.213 1.00 0.00 N ATOM 360 CA LEU A 24 4.149 17.988 9.402 1.00 0.00 C ATOM 361 C LEU A 24 3.886 17.246 10.706 1.00 0.00 C ATOM 362 O LEU A 24 3.329 16.140 10.724 1.00 0.00 O ATOM 363 CB LEU A 24 5.616 18.411 9.310 1.00 0.00 C ATOM 364 CG LEU A 24 6.205 18.621 7.909 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.366 17.303 7.302 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.381 19.265 6.816 1.00 0.00 C ATOM 0 H LEU A 24 3.688 20.021 9.059 1.00 0.00 H new ATOM 0 HA LEU A 24 3.947 17.298 8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.734 19.340 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.216 17.656 9.818 1.00 0.00 H new ATOM 0 HG LEU A 24 7.057 19.260 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.784 17.412 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.039 16.701 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.396 16.811 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.972 19.325 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.489 18.667 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.088 20.268 7.125 1.00 0.00 H new ATOM 378 N LYS A 25 4.267 17.868 11.821 1.00 0.00 N ATOM 379 CA LYS A 25 4.045 17.272 13.132 1.00 0.00 C ATOM 380 C LYS A 25 2.591 16.928 13.354 1.00 0.00 C ATOM 381 O LYS A 25 2.324 15.883 13.939 1.00 0.00 O ATOM 382 CB LYS A 25 4.584 18.165 14.224 1.00 0.00 C ATOM 383 CG LYS A 25 6.130 18.217 14.075 1.00 0.00 C ATOM 384 CD LYS A 25 6.918 17.858 15.339 1.00 0.00 C ATOM 385 CE LYS A 25 7.266 16.358 15.401 1.00 0.00 C ATOM 386 NZ LYS A 25 7.900 16.017 16.704 1.00 0.00 N ATOM 0 H LYS A 25 4.727 18.778 11.841 1.00 0.00 H new ATOM 0 HA LYS A 25 4.596 16.332 13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.159 19.165 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.308 17.778 15.205 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.425 17.537 13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.415 19.221 13.761 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.836 18.444 15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.335 18.131 16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.362 15.764 15.265 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.942 16.103 14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.126 15.002 16.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.774 16.569 16.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.243 16.241 17.479 1.00 0.00 H new ATOM 400 N ALA A 26 1.678 17.734 12.810 1.00 0.00 N ATOM 401 CA ALA A 26 0.275 17.383 12.775 1.00 0.00 C ATOM 402 C ALA A 26 0.001 15.986 12.144 1.00 0.00 C ATOM 403 O ALA A 26 -0.143 14.955 12.813 1.00 0.00 O ATOM 404 CB ALA A 26 -0.413 18.500 11.962 1.00 0.00 C ATOM 0 H ALA A 26 1.896 18.637 12.388 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.114 17.306 13.790 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.482 18.296 11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.256 19.459 12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.012 18.535 10.959 1.00 0.00 H new ATOM 410 N VAL A 27 -0.011 16.008 10.808 1.00 0.00 N ATOM 411 CA VAL A 27 -0.433 14.870 9.982 1.00 0.00 C ATOM 412 C VAL A 27 0.252 13.600 10.398 1.00 0.00 C ATOM 413 O VAL A 27 -0.370 12.572 10.642 1.00 0.00 O ATOM 414 CB VAL A 27 -0.027 15.197 8.520 1.00 0.00 C ATOM 415 CG1 VAL A 27 0.184 14.092 7.501 1.00 0.00 C ATOM 416 CG2 VAL A 27 -0.970 16.198 7.931 1.00 0.00 C ATOM 0 H VAL A 27 0.274 16.822 10.264 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.507 14.720 10.091 1.00 0.00 H new ATOM 0 HB VAL A 27 0.987 15.560 8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.462 14.530 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.980 13.430 7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.738 13.522 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.673 16.418 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.982 15.792 7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.943 17.114 8.521 1.00 0.00 H new ATOM 426 N PHE A 28 1.569 13.689 10.410 1.00 0.00 N ATOM 427 CA PHE A 28 2.408 12.582 10.760 1.00 0.00 C ATOM 428 C PHE A 28 2.337 12.194 12.225 1.00 0.00 C ATOM 429 O PHE A 28 2.142 11.023 12.550 1.00 0.00 O ATOM 430 CB PHE A 28 3.810 12.922 10.283 1.00 0.00 C ATOM 431 CG PHE A 28 4.070 13.163 8.794 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.743 14.392 8.182 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.854 12.248 8.068 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.272 14.744 6.936 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.445 12.636 6.850 1.00 0.00 C ATOM 436 CZ PHE A 28 5.199 13.906 6.311 1.00 0.00 C ATOM 0 H PHE A 28 2.079 14.540 10.174 1.00 0.00 H new ATOM 0 HA PHE A 28 2.054 11.679 10.263 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.127 13.818 10.817 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.467 12.112 10.601 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.072 15.073 8.685 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.003 11.247 8.445 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.964 15.662 6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.093 11.949 6.327 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.720 14.233 5.423 1.00 0.00 H new ATOM 446 N GLY A 29 2.539 13.158 13.122 1.00 0.00 N ATOM 447 CA GLY A 29 2.416 12.878 14.547 1.00 0.00 C ATOM 448 C GLY A 29 1.096 12.290 14.993 1.00 0.00 C ATOM 449 O GLY A 29 1.039 11.762 16.108 1.00 0.00 O ATOM 0 H GLY A 29 2.784 14.121 12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.213 12.191 14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.583 13.805 15.095 1.00 0.00 H new ATOM 453 N LYS A 30 0.041 12.374 14.164 1.00 0.00 N ATOM 454 CA LYS A 30 -1.295 11.863 14.553 1.00 0.00 C ATOM 455 C LYS A 30 -1.257 10.447 15.123 1.00 0.00 C ATOM 456 O LYS A 30 -1.924 10.137 16.113 1.00 0.00 O ATOM 457 CB LYS A 30 -2.261 11.883 13.372 1.00 0.00 C ATOM 458 CG LYS A 30 -2.904 13.256 13.412 1.00 0.00 C ATOM 459 CD LYS A 30 -3.730 13.644 12.191 1.00 0.00 C ATOM 460 CE LYS A 30 -4.039 15.137 12.308 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.186 15.413 13.217 1.00 0.00 N ATOM 0 H LYS A 30 0.080 12.784 13.231 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.642 12.536 15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.736 11.721 12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.009 11.095 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.546 13.309 14.292 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.118 13.999 13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.180 13.436 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.651 13.063 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.155 15.660 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.259 15.538 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.355 16.438 13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.037 14.938 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.968 15.056 14.169 1.00 0.00 H new ATOM 475 N HIS A 31 -0.427 9.635 14.480 1.00 0.00 N ATOM 476 CA HIS A 31 -0.195 8.249 14.903 1.00 0.00 C ATOM 477 C HIS A 31 1.287 7.851 15.115 1.00 0.00 C ATOM 478 O HIS A 31 1.587 6.655 15.067 1.00 0.00 O ATOM 479 CB HIS A 31 -0.997 7.303 13.972 1.00 0.00 C ATOM 480 CG HIS A 31 -2.362 6.916 14.499 1.00 0.00 C ATOM 481 ND1 HIS A 31 -3.122 7.598 15.426 1.00 0.00 N ATOM 482 CD2 HIS A 31 -3.088 5.813 14.130 1.00 0.00 C ATOM 483 CE1 HIS A 31 -4.270 6.926 15.612 1.00 0.00 C ATOM 484 NE2 HIS A 31 -4.294 5.819 14.847 1.00 0.00 N ATOM 0 H HIS A 31 0.104 9.911 13.654 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.575 8.144 15.919 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.119 7.785 13.002 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.415 6.397 13.806 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.857 8.466 15.892 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.784 5.067 13.411 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.062 7.231 16.281 1.00 0.00 H new ATOM 492 N GLY A 32 2.247 8.755 15.405 1.00 0.00 N ATOM 493 CA GLY A 32 3.568 8.324 15.851 1.00 0.00 C ATOM 494 C GLY A 32 4.534 9.393 16.382 1.00 0.00 C ATOM 495 O GLY A 32 4.279 10.591 16.267 1.00 0.00 O ATOM 0 H GLY A 32 2.126 9.766 15.337 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.429 7.580 16.636 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.054 7.820 15.016 1.00 0.00 H new ATOM 499 N PRO A 33 5.656 8.945 16.973 1.00 0.00 N ATOM 500 CA PRO A 33 6.814 9.747 17.362 1.00 0.00 C ATOM 501 C PRO A 33 7.713 10.152 16.180 1.00 0.00 C ATOM 502 O PRO A 33 8.249 9.301 15.471 1.00 0.00 O ATOM 503 CB PRO A 33 7.610 8.847 18.318 1.00 0.00 C ATOM 504 CG PRO A 33 7.245 7.429 17.873 1.00 0.00 C ATOM 505 CD PRO A 33 5.775 7.613 17.528 1.00 0.00 C ATOM 0 HA PRO A 33 6.480 10.685 17.805 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.682 9.028 18.238 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.333 9.024 19.357 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.833 7.100 17.016 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.396 6.695 18.665 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.446 6.861 16.811 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.150 7.503 18.414 1.00 0.00 H new ATOM 513 N ILE A 34 7.903 11.461 16.011 1.00 0.00 N ATOM 514 CA ILE A 34 8.677 12.020 14.887 1.00 0.00 C ATOM 515 C ILE A 34 10.066 12.491 15.351 1.00 0.00 C ATOM 516 O ILE A 34 10.168 13.382 16.196 1.00 0.00 O ATOM 517 CB ILE A 34 7.862 13.069 14.110 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.882 12.446 13.115 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.779 14.013 13.319 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.618 11.982 13.810 1.00 0.00 C ATOM 0 H ILE A 34 7.528 12.167 16.644 1.00 0.00 H new ATOM 0 HA ILE A 34 8.874 11.230 14.162 1.00 0.00 H new ATOM 0 HB ILE A 34 7.303 13.615 14.870 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.630 13.174 12.344 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.356 11.602 12.614 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.173 14.742 12.781 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.447 14.532 14.006 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.369 13.435 12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.940 11.544 13.078 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.870 11.236 14.564 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.133 12.832 14.289 1.00 0.00 H new ATOM 532 N SER A 35 11.119 11.836 14.860 1.00 0.00 N ATOM 533 CA SER A 35 12.521 12.119 15.163 1.00 0.00 C ATOM 534 C SER A 35 13.137 13.121 14.178 1.00 0.00 C ATOM 535 O SER A 35 14.160 13.733 14.492 1.00 0.00 O ATOM 536 CB SER A 35 13.291 10.796 15.081 1.00 0.00 C ATOM 537 OG SER A 35 14.530 10.860 15.769 1.00 0.00 O ATOM 0 H SER A 35 11.012 11.057 14.210 1.00 0.00 H new ATOM 0 HA SER A 35 12.582 12.563 16.157 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.683 9.996 15.503 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.469 10.544 14.036 1.00 0.00 H new ATOM 0 HG SER A 35 14.990 9.998 15.695 1.00 0.00 H new ATOM 543 N GLU A 36 12.540 13.320 12.989 1.00 0.00 N ATOM 544 CA GLU A 36 13.129 14.195 11.958 1.00 0.00 C ATOM 545 C GLU A 36 12.079 14.825 11.035 1.00 0.00 C ATOM 546 O GLU A 36 11.127 14.139 10.667 1.00 0.00 O ATOM 547 CB GLU A 36 14.144 13.387 11.124 1.00 0.00 C ATOM 548 CG GLU A 36 15.310 14.176 10.519 1.00 0.00 C ATOM 549 CD GLU A 36 14.904 15.123 9.382 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.432 14.634 8.324 1.00 0.00 O ATOM 551 OE2 GLU A 36 15.049 16.350 9.569 1.00 0.00 O ATOM 0 H GLU A 36 11.655 12.890 12.719 1.00 0.00 H new ATOM 0 HA GLU A 36 13.625 15.017 12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.555 12.600 11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.606 12.896 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.789 14.757 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.054 13.473 10.144 1.00 0.00 H new ATOM 558 N VAL A 37 12.253 16.093 10.630 1.00 0.00 N ATOM 559 CA VAL A 37 11.282 16.846 9.813 1.00 0.00 C ATOM 560 C VAL A 37 11.917 17.633 8.655 1.00 0.00 C ATOM 561 O VAL A 37 12.815 18.456 8.846 1.00 0.00 O ATOM 562 CB VAL A 37 10.430 17.810 10.660 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.245 18.285 9.808 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.885 17.187 11.952 1.00 0.00 C ATOM 0 H VAL A 37 13.085 16.635 10.864 1.00 0.00 H new ATOM 0 HA VAL A 37 10.645 16.074 9.382 1.00 0.00 H new ATOM 0 HB VAL A 37 11.082 18.631 10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.629 18.970 10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.617 18.798 8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.646 17.426 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.296 17.928 12.493 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.255 16.332 11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.716 16.858 12.576 1.00 0.00 H new ATOM 574 N LEU A 38 11.386 17.400 7.452 1.00 0.00 N ATOM 575 CA LEU A 38 11.892 17.819 6.147 1.00 0.00 C ATOM 576 C LEU A 38 10.795 18.388 5.222 1.00 0.00 C ATOM 577 O LEU A 38 9.696 17.839 5.145 1.00 0.00 O ATOM 578 CB LEU A 38 12.528 16.599 5.467 1.00 0.00 C ATOM 579 CG LEU A 38 13.334 16.904 4.201 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.577 17.705 4.522 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.844 15.616 3.581 1.00 0.00 C ATOM 0 H LEU A 38 10.520 16.869 7.361 1.00 0.00 H new ATOM 0 HA LEU A 38 12.613 18.619 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.182 16.103 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.738 15.891 5.214 1.00 0.00 H new ATOM 0 HG LEU A 38 12.667 17.452 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.128 17.906 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.292 18.648 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.208 17.139 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.415 15.846 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.484 15.097 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.999 14.978 3.321 1.00 0.00 H new ATOM 593 N LEU A 39 11.078 19.485 4.521 1.00 0.00 N ATOM 594 CA LEU A 39 10.267 19.994 3.408 1.00 0.00 C ATOM 595 C LEU A 39 11.228 20.126 2.204 1.00 0.00 C ATOM 596 O LEU A 39 12.349 20.613 2.376 1.00 0.00 O ATOM 597 CB LEU A 39 9.601 21.348 3.735 1.00 0.00 C ATOM 598 CG LEU A 39 8.390 21.473 4.675 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.190 20.730 4.098 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.620 21.039 6.119 1.00 0.00 C ATOM 0 H LEU A 39 11.897 20.061 4.714 1.00 0.00 H new ATOM 0 HA LEU A 39 9.444 19.312 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.382 21.987 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.302 21.785 2.782 1.00 0.00 H new ATOM 0 HG LEU A 39 8.200 22.545 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.341 20.828 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.931 21.154 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.438 19.675 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.700 21.170 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.914 19.990 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.410 21.647 6.560 1.00 0.00 H new ATOM 612 N ILE A 40 10.823 19.686 1.006 1.00 0.00 N ATOM 613 CA ILE A 40 11.743 19.552 -0.134 1.00 0.00 C ATOM 614 C ILE A 40 11.495 20.695 -1.113 1.00 0.00 C ATOM 615 O ILE A 40 10.320 21.015 -1.393 1.00 0.00 O ATOM 616 CB ILE A 40 11.556 18.209 -0.870 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.745 16.971 0.023 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.507 18.117 -2.080 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.157 16.768 0.561 1.00 0.00 C ATOM 0 H ILE A 40 9.861 19.416 0.799 1.00 0.00 H new ATOM 0 HA ILE A 40 12.762 19.586 0.251 1.00 0.00 H new ATOM 0 HB ILE A 40 10.517 18.202 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.059 17.043 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.459 16.086 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.360 17.163 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.295 18.932 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.539 18.191 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.186 15.870 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.851 16.658 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.445 17.631 1.162 1.00 0.00 H new ATOM 631 N LYS A 41 12.654 21.247 -1.542 1.00 0.00 N ATOM 632 CA LYS A 41 12.721 22.479 -2.350 1.00 0.00 C ATOM 633 C LYS A 41 13.718 22.318 -3.535 1.00 0.00 C ATOM 634 O LYS A 41 13.740 21.278 -4.193 1.00 0.00 O ATOM 635 CB LYS A 41 13.071 23.668 -1.419 1.00 0.00 C ATOM 636 CG LYS A 41 12.101 23.793 -0.238 1.00 0.00 C ATOM 637 CD LYS A 41 12.269 25.101 0.540 1.00 0.00 C ATOM 638 CE LYS A 41 11.093 25.266 1.509 1.00 0.00 C ATOM 639 NZ LYS A 41 9.864 25.697 0.780 1.00 0.00 N ATOM 0 H LYS A 41 13.569 20.847 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 41 11.752 22.682 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.085 23.543 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.058 24.593 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.078 23.725 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.252 22.952 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.210 25.093 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.309 25.945 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.905 24.324 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.345 26.002 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.119 25.934 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.079 26.533 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.536 24.925 0.165 1.00 0.00 H new ATOM 653 N ASP A 42 14.508 23.355 -3.817 1.00 0.00 N ATOM 654 CA ASP A 42 15.367 23.586 -5.003 1.00 0.00 C ATOM 655 C ASP A 42 16.242 24.820 -4.693 1.00 0.00 C ATOM 656 O ASP A 42 15.764 25.681 -3.966 1.00 0.00 O ATOM 657 CB ASP A 42 14.513 23.830 -6.264 1.00 0.00 C ATOM 658 CG ASP A 42 13.188 24.640 -6.162 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.498 24.639 -5.114 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.837 25.317 -7.157 1.00 0.00 O ATOM 0 H ASP A 42 14.576 24.136 -3.164 1.00 0.00 H new ATOM 0 HA ASP A 42 15.985 22.711 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.147 24.336 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.265 22.854 -6.681 1.00 0.00 H new ATOM 665 N ARG A 43 17.503 24.951 -5.153 1.00 0.00 N ATOM 666 CA ARG A 43 18.544 25.957 -4.751 1.00 0.00 C ATOM 667 C ARG A 43 18.880 25.983 -3.250 1.00 0.00 C ATOM 668 O ARG A 43 19.946 26.495 -2.929 1.00 0.00 O ATOM 669 CB ARG A 43 18.127 27.386 -5.239 1.00 0.00 C ATOM 670 CG ARG A 43 18.634 28.606 -4.429 1.00 0.00 C ATOM 671 CD ARG A 43 18.048 30.029 -4.635 1.00 0.00 C ATOM 672 NE ARG A 43 18.184 30.842 -3.392 1.00 0.00 N ATOM 673 CZ ARG A 43 19.179 30.869 -2.506 1.00 0.00 C ATOM 674 NH1 ARG A 43 20.343 30.318 -2.671 1.00 0.00 N ATOM 675 NH2 ARG A 43 19.048 31.453 -1.362 1.00 0.00 N ATOM 0 H ARG A 43 17.860 24.317 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 43 19.462 25.635 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.470 27.501 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.038 27.428 -5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 43 18.502 28.361 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.707 28.679 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.564 30.524 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.997 29.958 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 43 17.403 31.467 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 43 20.552 29.815 -3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 43 21.049 30.388 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.168 31.908 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.825 31.460 -0.701 1.00 0.00 H new ATOM 689 N THR A 44 18.064 25.314 -2.422 1.00 0.00 N ATOM 690 CA THR A 44 18.019 25.579 -0.961 1.00 0.00 C ATOM 691 C THR A 44 16.969 26.690 -0.667 1.00 0.00 C ATOM 692 O THR A 44 16.734 26.976 0.504 1.00 0.00 O ATOM 693 CB THR A 44 19.378 25.799 -0.257 1.00 0.00 C ATOM 694 OG1 THR A 44 19.338 25.250 1.046 1.00 0.00 O ATOM 695 CG2 THR A 44 19.778 27.272 -0.143 1.00 0.00 C ATOM 0 H THR A 44 17.423 24.584 -2.731 1.00 0.00 H new ATOM 0 HA THR A 44 17.697 24.648 -0.495 1.00 0.00 H new ATOM 0 HB THR A 44 20.122 25.301 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.202 25.391 1.487 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.741 27.349 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.854 27.707 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.024 27.810 0.431 1.00 0.00 H new ATOM 703 N SER A 45 16.323 27.196 -1.755 1.00 0.00 N ATOM 704 CA SER A 45 15.096 28.041 -1.678 1.00 0.00 C ATOM 705 C SER A 45 14.662 28.789 -2.987 1.00 0.00 C ATOM 706 O SER A 45 14.105 29.887 -2.934 1.00 0.00 O ATOM 707 CB SER A 45 14.863 28.817 -0.365 1.00 0.00 C ATOM 708 OG SER A 45 13.643 29.536 -0.305 1.00 0.00 O ATOM 0 H SER A 45 16.639 27.029 -2.711 1.00 0.00 H new ATOM 0 HA SER A 45 14.344 27.254 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.894 28.113 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.687 29.516 -0.222 1.00 0.00 H new ATOM 0 HG SER A 45 13.472 29.962 -1.171 1.00 0.00 H new ATOM 714 N LYS A 46 14.925 28.230 -4.189 1.00 0.00 N ATOM 715 CA LYS A 46 14.153 28.593 -5.424 1.00 0.00 C ATOM 716 C LYS A 46 12.635 28.434 -5.030 1.00 0.00 C ATOM 717 O LYS A 46 11.833 29.338 -5.273 1.00 0.00 O ATOM 718 CB LYS A 46 14.571 27.731 -6.636 1.00 0.00 C ATOM 719 CG LYS A 46 15.748 28.225 -7.520 1.00 0.00 C ATOM 720 CD LYS A 46 16.394 27.032 -8.263 1.00 0.00 C ATOM 721 CE LYS A 46 17.477 27.313 -9.333 1.00 0.00 C ATOM 722 NZ LYS A 46 18.884 27.360 -8.851 1.00 0.00 N ATOM 0 H LYS A 46 15.654 27.533 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 46 14.355 29.613 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.827 26.739 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.698 27.616 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.388 28.960 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.493 28.724 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.835 26.376 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.593 26.471 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.405 26.545 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.247 28.265 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.528 27.418 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.016 28.195 -8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.093 26.500 -8.305 1.00 0.00 H new ATOM 736 N SER A 47 12.330 27.334 -4.301 1.00 0.00 N ATOM 737 CA SER A 47 11.114 27.221 -3.466 1.00 0.00 C ATOM 738 C SER A 47 9.783 26.655 -3.986 1.00 0.00 C ATOM 739 O SER A 47 8.904 27.381 -4.462 1.00 0.00 O ATOM 740 CB SER A 47 10.884 28.423 -2.538 1.00 0.00 C ATOM 741 OG SER A 47 10.231 27.982 -1.351 1.00 0.00 O ATOM 0 H SER A 47 12.920 26.502 -4.276 1.00 0.00 H new ATOM 0 HA SER A 47 11.462 26.339 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.836 28.893 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.278 29.176 -3.042 1.00 0.00 H new ATOM 0 HG SER A 47 10.084 28.746 -0.755 1.00 0.00 H new ATOM 747 N ARG A 48 9.631 25.328 -3.823 1.00 0.00 N ATOM 748 CA ARG A 48 8.379 24.567 -3.855 1.00 0.00 C ATOM 749 C ARG A 48 8.203 23.922 -2.473 1.00 0.00 C ATOM 750 O ARG A 48 8.881 24.292 -1.511 1.00 0.00 O ATOM 751 CB ARG A 48 8.292 23.616 -5.045 1.00 0.00 C ATOM 752 CG ARG A 48 9.221 22.429 -4.887 1.00 0.00 C ATOM 753 CD ARG A 48 9.485 21.839 -6.246 1.00 0.00 C ATOM 754 NE ARG A 48 8.572 20.765 -6.700 1.00 0.00 N ATOM 755 CZ ARG A 48 8.208 20.530 -7.951 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.451 21.365 -8.922 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.576 19.444 -8.288 1.00 0.00 N ATOM 0 H ARG A 48 10.435 24.724 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 48 7.526 25.222 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.267 23.263 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.542 24.154 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.156 22.740 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.772 21.683 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.450 22.646 -6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.501 21.445 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 48 8.188 20.150 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.940 22.240 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.152 21.143 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.348 18.746 -7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.308 19.291 -9.260 1.00 0.00 H new ATOM 771 N GLY A 49 7.236 23.032 -2.341 1.00 0.00 N ATOM 772 CA GLY A 49 7.026 22.239 -1.123 1.00 0.00 C ATOM 773 C GLY A 49 6.712 20.755 -1.316 1.00 0.00 C ATOM 774 O GLY A 49 5.690 20.449 -1.918 1.00 0.00 O ATOM 0 H GLY A 49 6.562 22.830 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.921 22.320 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.208 22.690 -0.560 1.00 0.00 H new ATOM 778 N PHE A 50 7.554 19.824 -0.856 1.00 0.00 N ATOM 779 CA PHE A 50 7.121 18.407 -0.636 1.00 0.00 C ATOM 780 C PHE A 50 7.600 17.794 0.685 1.00 0.00 C ATOM 781 O PHE A 50 8.744 17.991 1.051 1.00 0.00 O ATOM 782 CB PHE A 50 7.069 17.546 -1.871 1.00 0.00 C ATOM 783 CG PHE A 50 8.316 17.113 -2.533 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.939 17.971 -3.452 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.712 15.787 -2.373 1.00 0.00 C ATOM 786 CE1 PHE A 50 10.016 17.496 -4.214 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.832 15.335 -3.079 1.00 0.00 C ATOM 788 CZ PHE A 50 10.456 16.174 -4.018 1.00 0.00 C ATOM 0 H PHE A 50 8.531 20.005 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 50 6.050 18.455 -0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.512 16.645 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.480 18.083 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.593 18.987 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.167 15.123 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.500 18.134 -4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.217 14.342 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.286 15.798 -4.598 1.00 0.00 H new ATOM 798 N ALA A 51 6.784 17.074 1.452 1.00 0.00 N ATOM 799 CA ALA A 51 7.071 16.851 2.874 1.00 0.00 C ATOM 800 C ALA A 51 7.599 15.475 3.240 1.00 0.00 C ATOM 801 O ALA A 51 7.165 14.463 2.711 1.00 0.00 O ATOM 802 CB ALA A 51 5.793 17.165 3.641 1.00 0.00 C ATOM 0 H ALA A 51 5.925 16.637 1.120 1.00 0.00 H new ATOM 0 HA ALA A 51 7.897 17.510 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.961 17.012 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.508 18.202 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.994 16.506 3.302 1.00 0.00 H new ATOM 808 N PHE A 52 8.621 15.462 4.089 1.00 0.00 N ATOM 809 CA PHE A 52 9.384 14.285 4.456 1.00 0.00 C ATOM 810 C PHE A 52 9.520 14.157 5.987 1.00 0.00 C ATOM 811 O PHE A 52 9.957 15.113 6.627 1.00 0.00 O ATOM 812 CB PHE A 52 10.687 14.377 3.696 1.00 0.00 C ATOM 813 CG PHE A 52 10.648 13.562 2.448 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.964 12.208 2.528 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.232 14.137 1.244 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.872 11.417 1.375 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.165 13.349 0.089 1.00 0.00 C ATOM 818 CZ PHE A 52 10.475 11.982 0.151 1.00 0.00 C ATOM 0 H PHE A 52 8.950 16.307 4.556 1.00 0.00 H new ATOM 0 HA PHE A 52 8.885 13.357 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.891 15.418 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.505 14.035 4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.276 11.773 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.964 15.182 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.108 10.364 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.874 13.794 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.409 11.368 -0.735 1.00 0.00 H new ATOM 828 N ILE A 53 9.154 13.035 6.631 1.00 0.00 N ATOM 829 CA ILE A 53 9.310 12.922 8.105 1.00 0.00 C ATOM 830 C ILE A 53 9.908 11.565 8.510 1.00 0.00 C ATOM 831 O ILE A 53 9.491 10.545 7.969 1.00 0.00 O ATOM 832 CB ILE A 53 8.000 13.330 8.834 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.095 14.631 9.639 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.518 12.218 9.771 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.741 15.193 10.116 1.00 0.00 C ATOM 0 H ILE A 53 8.759 12.212 6.177 1.00 0.00 H new ATOM 0 HA ILE A 53 10.051 13.644 8.448 1.00 0.00 H new ATOM 0 HB ILE A 53 7.287 13.499 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.728 14.459 10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.591 15.385 9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.600 12.533 10.267 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.327 11.313 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.284 12.016 10.520 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.906 16.113 10.676 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.109 15.402 9.253 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.249 14.461 10.757 1.00 0.00 H new ATOM 847 N THR A 54 10.880 11.529 9.430 1.00 0.00 N ATOM 848 CA THR A 54 11.418 10.266 9.983 1.00 0.00 C ATOM 849 C THR A 54 10.872 10.057 11.389 1.00 0.00 C ATOM 850 O THR A 54 10.873 10.981 12.213 1.00 0.00 O ATOM 851 CB THR A 54 12.952 10.208 10.103 1.00 0.00 C ATOM 852 OG1 THR A 54 13.590 10.691 8.948 1.00 0.00 O ATOM 853 CG2 THR A 54 13.485 8.788 10.290 1.00 0.00 C ATOM 0 H THR A 54 11.318 12.366 9.814 1.00 0.00 H new ATOM 0 HA THR A 54 11.108 9.499 9.273 1.00 0.00 H new ATOM 0 HB THR A 54 13.169 10.823 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.562 10.639 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.572 8.815 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.066 8.359 11.200 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.197 8.176 9.435 1.00 0.00 H new ATOM 861 N PHE A 55 10.443 8.823 11.651 1.00 0.00 N ATOM 862 CA PHE A 55 9.835 8.355 12.896 1.00 0.00 C ATOM 863 C PHE A 55 10.816 7.513 13.716 1.00 0.00 C ATOM 864 O PHE A 55 11.535 6.680 13.162 1.00 0.00 O ATOM 865 CB PHE A 55 8.591 7.505 12.618 1.00 0.00 C ATOM 866 CG PHE A 55 7.408 8.257 12.058 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.335 8.523 10.683 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.355 8.656 12.902 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.211 9.169 10.155 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.218 9.275 12.365 1.00 0.00 C ATOM 871 CZ PHE A 55 5.142 9.528 10.988 1.00 0.00 C ATOM 0 H PHE A 55 10.515 8.078 10.958 1.00 0.00 H new ATOM 0 HA PHE A 55 9.557 9.245 13.460 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.861 6.713 11.919 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.287 7.021 13.546 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.145 8.230 10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.423 8.485 13.966 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.167 9.392 9.099 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.400 9.557 13.012 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.263 9.998 10.571 1.00 0.00 H new ATOM 881 N GLU A 56 10.864 7.766 15.028 1.00 0.00 N ATOM 882 CA GLU A 56 11.650 6.937 15.964 1.00 0.00 C ATOM 883 C GLU A 56 11.535 5.400 15.755 1.00 0.00 C ATOM 884 O GLU A 56 12.517 4.696 16.001 1.00 0.00 O ATOM 885 CB GLU A 56 11.310 7.329 17.415 1.00 0.00 C ATOM 886 CG GLU A 56 11.659 8.798 17.731 1.00 0.00 C ATOM 887 CD GLU A 56 11.521 9.131 19.233 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.230 8.514 20.068 1.00 0.00 O ATOM 889 OE2 GLU A 56 10.735 10.042 19.591 1.00 0.00 O ATOM 0 H GLU A 56 10.368 8.539 15.472 1.00 0.00 H new ATOM 0 HA GLU A 56 12.695 7.155 15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.247 7.166 17.592 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.851 6.676 18.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.680 9.002 17.410 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.006 9.455 17.156 1.00 0.00 H new ATOM 896 N ASN A 57 10.402 4.884 15.241 1.00 0.00 N ATOM 897 CA ASN A 57 10.311 3.483 14.777 1.00 0.00 C ATOM 898 C ASN A 57 9.630 3.383 13.389 1.00 0.00 C ATOM 899 O ASN A 57 8.737 4.178 13.076 1.00 0.00 O ATOM 900 CB ASN A 57 9.534 2.615 15.785 1.00 0.00 C ATOM 901 CG ASN A 57 9.950 2.776 17.238 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.025 2.366 17.655 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.099 3.339 18.065 1.00 0.00 N ATOM 0 H ASN A 57 9.537 5.414 15.136 1.00 0.00 H new ATOM 0 HA ASN A 57 11.333 3.113 14.693 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.473 2.850 15.700 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.652 1.568 15.504 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.335 3.434 19.053 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.203 3.681 17.719 1.00 0.00 H new ATOM 910 N PRO A 58 9.960 2.353 12.585 1.00 0.00 N ATOM 911 CA PRO A 58 9.323 2.069 11.289 1.00 0.00 C ATOM 912 C PRO A 58 7.840 1.723 11.454 1.00 0.00 C ATOM 913 O PRO A 58 6.997 2.183 10.681 1.00 0.00 O ATOM 914 CB PRO A 58 10.120 0.905 10.689 1.00 0.00 C ATOM 915 CG PRO A 58 10.734 0.219 11.909 1.00 0.00 C ATOM 916 CD PRO A 58 10.961 1.348 12.897 1.00 0.00 C ATOM 0 HA PRO A 58 9.340 2.939 10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.477 0.226 10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.887 1.258 10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.066 -0.539 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.668 -0.282 11.656 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.856 0.997 13.923 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.967 1.755 12.801 1.00 0.00 H new ATOM 924 N ALA A 59 7.536 0.978 12.522 1.00 0.00 N ATOM 925 CA ALA A 59 6.167 0.766 12.969 1.00 0.00 C ATOM 926 C ALA A 59 5.324 2.035 12.897 1.00 0.00 C ATOM 927 O ALA A 59 4.303 2.105 12.223 1.00 0.00 O ATOM 928 CB ALA A 59 6.261 0.347 14.448 1.00 0.00 C ATOM 0 H ALA A 59 8.236 0.508 13.096 1.00 0.00 H new ATOM 0 HA ALA A 59 5.693 0.021 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.259 0.173 14.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.847 -0.568 14.530 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.743 1.139 15.021 1.00 0.00 H new ATOM 934 N ASP A 60 5.781 3.009 13.672 1.00 0.00 N ATOM 935 CA ASP A 60 5.117 4.281 13.802 1.00 0.00 C ATOM 936 C ASP A 60 4.985 5.098 12.507 1.00 0.00 C ATOM 937 O ASP A 60 3.991 5.790 12.294 1.00 0.00 O ATOM 938 CB ASP A 60 5.832 4.997 14.921 1.00 0.00 C ATOM 939 CG ASP A 60 5.614 4.328 16.289 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.444 4.098 16.676 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.619 4.050 16.981 1.00 0.00 O ATOM 0 H ASP A 60 6.631 2.929 14.230 1.00 0.00 H new ATOM 0 HA ASP A 60 4.064 4.128 14.039 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.899 5.029 14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.485 6.029 14.967 1.00 0.00 H new ATOM 946 N ALA A 61 5.992 5.005 11.636 1.00 0.00 N ATOM 947 CA ALA A 61 5.875 5.541 10.279 1.00 0.00 C ATOM 948 C ALA A 61 4.662 4.963 9.548 1.00 0.00 C ATOM 949 O ALA A 61 3.792 5.672 9.044 1.00 0.00 O ATOM 950 CB ALA A 61 7.177 5.225 9.531 1.00 0.00 C ATOM 0 H ALA A 61 6.890 4.568 11.844 1.00 0.00 H new ATOM 0 HA ALA A 61 5.721 6.619 10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.116 5.614 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.016 5.690 10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.325 4.146 9.498 1.00 0.00 H new ATOM 956 N LYS A 62 4.648 3.636 9.485 1.00 0.00 N ATOM 957 CA LYS A 62 3.587 2.812 8.895 1.00 0.00 C ATOM 958 C LYS A 62 2.214 3.099 9.510 1.00 0.00 C ATOM 959 O LYS A 62 1.206 3.159 8.817 1.00 0.00 O ATOM 960 CB LYS A 62 4.028 1.342 8.988 1.00 0.00 C ATOM 961 CG LYS A 62 4.062 0.628 7.627 1.00 0.00 C ATOM 962 CD LYS A 62 2.690 0.373 6.994 1.00 0.00 C ATOM 963 CE LYS A 62 2.901 -0.359 5.660 1.00 0.00 C ATOM 964 NZ LYS A 62 1.619 -0.823 5.076 1.00 0.00 N ATOM 0 H LYS A 62 5.411 3.074 9.861 1.00 0.00 H new ATOM 0 HA LYS A 62 3.449 3.064 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.019 1.296 9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.349 0.808 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.659 1.224 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.573 -0.327 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.070 -0.225 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.166 1.315 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.401 0.306 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.560 -1.213 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.804 -1.312 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.153 -1.477 5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.000 -0.005 4.904 1.00 0.00 H new ATOM 978 N ASN A 63 2.210 3.269 10.827 1.00 0.00 N ATOM 979 CA ASN A 63 1.036 3.705 11.571 1.00 0.00 C ATOM 980 C ASN A 63 0.456 5.023 11.060 1.00 0.00 C ATOM 981 O ASN A 63 -0.675 5.049 10.584 1.00 0.00 O ATOM 982 CB ASN A 63 1.506 3.800 13.023 1.00 0.00 C ATOM 983 CG ASN A 63 0.449 3.623 14.085 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.747 3.589 13.838 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.883 3.420 15.306 1.00 0.00 N ATOM 0 H ASN A 63 3.029 3.106 11.413 1.00 0.00 H new ATOM 0 HA ASN A 63 0.211 3.002 11.454 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.278 3.048 13.182 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.975 4.773 13.167 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.220 3.232 16.058 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.883 3.450 15.503 1.00 0.00 H new ATOM 992 N ALA A 64 1.249 6.098 11.132 1.00 0.00 N ATOM 993 CA ALA A 64 0.850 7.392 10.594 1.00 0.00 C ATOM 994 C ALA A 64 0.459 7.316 9.104 1.00 0.00 C ATOM 995 O ALA A 64 -0.506 7.954 8.693 1.00 0.00 O ATOM 996 CB ALA A 64 1.966 8.387 10.920 1.00 0.00 C ATOM 0 H ALA A 64 2.174 6.091 11.561 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.068 7.744 11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.702 9.370 10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.096 8.447 12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.896 8.053 10.461 1.00 0.00 H new ATOM 1002 N ALA A 65 1.153 6.503 8.296 1.00 0.00 N ATOM 1003 CA ALA A 65 0.705 6.191 6.935 1.00 0.00 C ATOM 1004 C ALA A 65 -0.716 5.617 6.863 1.00 0.00 C ATOM 1005 O ALA A 65 -1.585 6.183 6.206 1.00 0.00 O ATOM 1006 CB ALA A 65 1.728 5.288 6.227 1.00 0.00 C ATOM 0 H ALA A 65 2.027 6.050 8.563 1.00 0.00 H new ATOM 0 HA ALA A 65 0.648 7.140 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.380 5.066 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.690 5.799 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.840 4.358 6.785 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.927 4.478 7.524 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.167 3.690 7.579 1.00 0.00 C ATOM 1014 C LYS A 66 -3.336 4.540 8.057 1.00 0.00 C ATOM 1015 O LYS A 66 -4.423 4.504 7.485 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.923 2.441 8.448 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.093 1.444 8.471 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.855 0.285 9.458 1.00 0.00 C ATOM 1019 CE LYS A 66 -1.591 -0.552 9.192 1.00 0.00 C ATOM 1020 NZ LYS A 66 -1.698 -1.369 7.954 1.00 0.00 N ATOM 0 H LYS A 66 -0.185 4.048 8.076 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.445 3.353 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.032 1.929 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.713 2.759 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.009 1.968 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.243 1.040 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.795 0.694 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.721 -0.376 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.730 0.112 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.409 -1.209 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.822 -1.913 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.502 -2.023 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.845 -0.743 7.137 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.066 5.336 9.085 1.00 0.00 N ATOM 1035 CA ASP A 67 -3.989 6.375 9.539 1.00 0.00 C ATOM 1036 C ASP A 67 -4.407 7.367 8.446 1.00 0.00 C ATOM 1037 O ASP A 67 -5.585 7.566 8.147 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.249 7.169 10.630 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.173 7.958 11.578 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.393 7.672 11.643 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.673 8.886 12.250 1.00 0.00 O ATOM 0 H ASP A 67 -2.204 5.282 9.628 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.901 5.884 9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.647 6.478 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.559 7.865 10.152 1.00 0.00 H new ATOM 1046 N MET A 68 -3.369 8.039 7.956 1.00 0.00 N ATOM 1047 CA MET A 68 -3.527 9.228 7.094 1.00 0.00 C ATOM 1048 C MET A 68 -4.058 8.967 5.692 1.00 0.00 C ATOM 1049 O MET A 68 -5.255 9.107 5.464 1.00 0.00 O ATOM 1050 CB MET A 68 -2.261 10.074 7.081 1.00 0.00 C ATOM 1051 CG MET A 68 -2.007 10.823 8.392 1.00 0.00 C ATOM 1052 SD MET A 68 -3.252 12.096 8.760 1.00 0.00 S ATOM 1053 CE MET A 68 -4.286 11.201 9.953 1.00 0.00 C ATOM 0 H MET A 68 -2.398 7.785 8.138 1.00 0.00 H new ATOM 0 HA MET A 68 -4.327 9.799 7.564 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.407 9.431 6.869 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.326 10.796 6.267 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.982 10.105 9.211 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.024 11.291 8.348 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.247 11.706 10.053 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.447 10.181 9.602 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.787 11.177 10.922 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.132 8.628 4.776 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.471 8.096 3.444 1.00 0.00 C ATOM 1065 C ASN A 69 -4.440 8.875 2.506 1.00 0.00 C ATOM 1066 O ASN A 69 -4.686 8.447 1.377 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.826 6.622 3.685 1.00 0.00 C ATOM 1068 CG ASN A 69 -5.280 6.386 4.054 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -6.185 6.410 3.232 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.544 6.172 5.319 1.00 0.00 N ATOM 0 H ASN A 69 -2.129 8.715 4.939 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.600 8.234 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.594 6.052 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.192 6.233 4.482 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.507 6.025 5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.787 6.153 6.002 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.944 10.024 2.952 1.00 0.00 N ATOM 1078 CA GLY A 70 -6.020 10.820 2.344 1.00 0.00 C ATOM 1079 C GLY A 70 -6.934 11.537 3.347 1.00 0.00 C ATOM 1080 O GLY A 70 -8.086 11.826 3.019 1.00 0.00 O ATOM 0 H GLY A 70 -4.591 10.457 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.574 11.564 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.630 10.166 1.721 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.426 11.819 4.560 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.221 12.472 5.624 1.00 0.00 C ATOM 1086 C LYS A 71 -7.860 13.801 5.190 1.00 0.00 C ATOM 1087 O LYS A 71 -9.059 13.992 5.393 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.275 12.659 6.823 1.00 0.00 C ATOM 1089 CG LYS A 71 -6.852 13.436 8.021 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.057 12.729 8.663 1.00 0.00 C ATOM 1091 CE LYS A 71 -8.546 13.515 9.887 1.00 0.00 C ATOM 1092 NZ LYS A 71 -9.736 12.875 10.509 1.00 0.00 N ATOM 0 H LYS A 71 -5.466 11.606 4.832 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.073 11.842 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.961 11.675 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.379 13.175 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.073 13.570 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.153 14.431 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.863 12.637 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.778 11.718 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.743 13.583 10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.794 14.534 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.039 13.433 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.510 12.833 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.492 11.911 10.814 1.00 0.00 H new ATOM 1106 N SER A 72 -7.027 14.666 4.593 1.00 0.00 N ATOM 1107 CA SER A 72 -7.476 15.925 3.988 1.00 0.00 C ATOM 1108 C SER A 72 -7.545 17.026 5.018 1.00 0.00 C ATOM 1109 O SER A 72 -8.364 16.994 5.941 1.00 0.00 O ATOM 1110 CB SER A 72 -8.741 15.823 3.115 1.00 0.00 C ATOM 1111 OG SER A 72 -8.895 16.994 2.334 1.00 0.00 O ATOM 0 H SER A 72 -6.022 14.510 4.517 1.00 0.00 H new ATOM 0 HA SER A 72 -6.707 16.192 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.673 14.951 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.617 15.682 3.748 1.00 0.00 H new ATOM 0 HG SER A 72 -9.701 16.916 1.783 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.591 17.955 4.880 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.335 18.919 5.960 1.00 0.00 C ATOM 1119 C LEU A 73 -5.748 20.304 5.624 1.00 0.00 C ATOM 1120 O LEU A 73 -5.733 21.160 6.510 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.599 18.227 7.131 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.101 17.890 7.055 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.587 17.284 5.768 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.173 19.060 7.414 1.00 0.00 C ATOM 0 H LEU A 73 -5.998 18.060 4.057 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.342 19.221 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.737 18.859 8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.124 17.292 7.326 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.060 17.111 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.516 17.098 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.104 16.344 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.770 17.973 4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.135 18.738 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.349 19.888 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.376 19.385 8.434 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.340 20.579 4.379 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.956 21.936 3.937 1.00 0.00 C ATOM 1138 C HIS A 74 -5.880 22.441 2.815 1.00 0.00 C ATOM 1139 O HIS A 74 -5.438 22.860 1.750 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.443 22.053 3.667 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.860 21.264 2.520 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.478 21.782 1.303 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.362 19.992 2.588 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.745 20.856 0.662 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.650 19.739 1.407 1.00 0.00 N ATOM 0 H HIS A 74 -5.265 19.873 3.647 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.121 22.634 4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.216 23.105 3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.919 21.757 4.576 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.711 22.710 0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.494 19.302 3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.296 20.989 -0.311 1.00 0.00 H new ATOM 1153 N GLY A 75 -7.201 22.315 3.023 1.00 0.00 N ATOM 1154 CA GLY A 75 -8.189 22.533 1.949 1.00 0.00 C ATOM 1155 C GLY A 75 -8.003 21.577 0.757 1.00 0.00 C ATOM 1156 O GLY A 75 -8.499 21.849 -0.341 1.00 0.00 O ATOM 0 H GLY A 75 -7.611 22.064 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.193 22.407 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.114 23.562 1.597 1.00 0.00 H new ATOM 1160 N LYS A 76 -7.265 20.482 1.000 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.864 19.541 -0.040 1.00 0.00 C ATOM 1162 C LYS A 76 -6.476 18.278 0.706 1.00 0.00 C ATOM 1163 O LYS A 76 -6.085 18.300 1.883 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.614 19.992 -0.827 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.879 21.105 -1.850 1.00 0.00 C ATOM 1166 CD LYS A 76 -4.767 21.194 -2.906 1.00 0.00 C ATOM 1167 CE LYS A 76 -5.220 22.131 -4.033 1.00 0.00 C ATOM 1168 NZ LYS A 76 -4.231 22.196 -5.142 1.00 0.00 N ATOM 0 H LYS A 76 -6.932 20.230 1.930 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.678 19.433 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.859 20.336 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.195 19.130 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.834 20.924 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.964 22.060 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.848 21.566 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.547 20.204 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.179 21.790 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.378 23.131 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.660 22.671 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.395 22.730 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.946 21.232 -5.410 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.529 17.187 -0.031 1.00 0.00 N ATOM 1183 CA ALA A 77 -6.048 15.925 0.454 1.00 0.00 C ATOM 1184 C ALA A 77 -4.515 15.869 0.498 1.00 0.00 C ATOM 1185 O ALA A 77 -3.800 16.471 -0.308 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.649 14.834 -0.415 1.00 0.00 C ATOM 0 H ALA A 77 -6.906 17.158 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.362 15.779 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.301 13.861 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.736 14.874 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.342 14.983 -1.450 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.080 15.028 1.422 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.676 14.608 1.522 1.00 0.00 C ATOM 1194 C ILE A 78 -2.546 13.195 0.989 1.00 0.00 C ATOM 1195 O ILE A 78 -3.400 12.336 1.202 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.113 14.662 2.948 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -2.975 13.831 3.910 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.927 16.141 3.282 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.356 13.768 5.290 1.00 0.00 C ATOM 0 H ILE A 78 -4.685 14.612 2.129 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.094 15.315 0.932 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.137 14.188 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.972 14.266 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.093 12.822 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.526 16.239 4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.233 16.590 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.888 16.651 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.991 13.173 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.369 13.309 5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.262 14.776 5.693 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.454 12.969 0.285 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.077 11.623 -0.139 1.00 0.00 C ATOM 1213 C LYS A 79 0.057 11.188 0.763 1.00 0.00 C ATOM 1214 O LYS A 79 1.041 11.908 0.895 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.650 11.695 -1.609 1.00 0.00 C ATOM 1216 CG LYS A 79 0.129 10.497 -2.178 1.00 0.00 C ATOM 1217 CD LYS A 79 1.652 10.606 -2.006 1.00 0.00 C ATOM 1218 CE LYS A 79 2.331 9.670 -3.007 1.00 0.00 C ATOM 1219 NZ LYS A 79 2.715 10.387 -4.252 1.00 0.00 N ATOM 0 H LYS A 79 -0.806 13.700 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.892 10.903 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.546 11.832 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.038 12.587 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.218 9.586 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.101 10.398 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.977 11.633 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.937 10.340 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.218 9.230 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.658 8.848 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.736 9.716 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.021 11.136 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.657 10.811 -4.132 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.104 10.034 1.400 1.00 0.00 N ATOM 1234 CA VAL A 80 0.882 9.492 2.348 1.00 0.00 C ATOM 1235 C VAL A 80 1.477 8.188 1.840 1.00 0.00 C ATOM 1236 O VAL A 80 0.778 7.215 1.557 1.00 0.00 O ATOM 1237 CB VAL A 80 0.328 9.355 3.773 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.448 8.903 4.717 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.264 10.694 4.231 1.00 0.00 C ATOM 0 H VAL A 80 -0.924 9.440 1.278 1.00 0.00 H new ATOM 0 HA VAL A 80 1.689 10.222 2.411 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.464 8.606 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.054 8.806 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.837 7.940 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.250 9.641 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.656 10.591 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.513 11.459 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.070 10.985 3.557 1.00 0.00 H new ATOM 1249 N GLU A 81 2.794 8.222 1.689 1.00 0.00 N ATOM 1250 CA GLU A 81 3.654 7.198 1.115 1.00 0.00 C ATOM 1251 C GLU A 81 4.889 7.032 2.010 1.00 0.00 C ATOM 1252 O GLU A 81 5.300 7.978 2.683 1.00 0.00 O ATOM 1253 CB GLU A 81 3.984 7.577 -0.339 1.00 0.00 C ATOM 1254 CG GLU A 81 4.879 6.585 -1.094 1.00 0.00 C ATOM 1255 CD GLU A 81 4.294 5.158 -1.147 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.415 4.417 -0.140 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.710 4.777 -2.189 1.00 0.00 O ATOM 0 H GLU A 81 3.332 9.034 1.990 1.00 0.00 H new ATOM 0 HA GLU A 81 3.160 6.227 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.049 7.687 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.471 8.552 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.033 6.946 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.858 6.552 -0.616 1.00 0.00 H new ATOM 1264 N GLN A 82 5.501 5.851 2.026 1.00 0.00 N ATOM 1265 CA GLN A 82 6.766 5.653 2.729 1.00 0.00 C ATOM 1266 C GLN A 82 7.888 5.675 1.686 1.00 0.00 C ATOM 1267 O GLN A 82 7.783 5.142 0.578 1.00 0.00 O ATOM 1268 CB GLN A 82 6.778 4.379 3.575 1.00 0.00 C ATOM 1269 CG GLN A 82 6.497 3.083 2.806 1.00 0.00 C ATOM 1270 CD GLN A 82 5.081 2.580 3.061 1.00 0.00 C ATOM 1271 OE1 GLN A 82 4.789 1.945 4.065 1.00 0.00 O ATOM 1272 NE2 GLN A 82 4.135 2.868 2.194 1.00 0.00 N ATOM 0 H GLN A 82 5.142 5.017 1.561 1.00 0.00 H new ATOM 0 HA GLN A 82 6.914 6.459 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.751 4.292 4.059 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.036 4.481 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.637 3.254 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.215 2.319 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.359 3.397 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.177 2.563 2.365 1.00 0.00 H new ATOM 1281 N ALA A 83 8.929 6.420 2.034 1.00 0.00 N ATOM 1282 CA ALA A 83 9.985 6.824 1.104 1.00 0.00 C ATOM 1283 C ALA A 83 10.745 5.670 0.409 1.00 0.00 C ATOM 1284 O ALA A 83 10.832 4.553 0.930 1.00 0.00 O ATOM 1285 CB ALA A 83 10.938 7.773 1.825 1.00 0.00 C ATOM 0 H ALA A 83 9.069 6.768 2.983 1.00 0.00 H new ATOM 0 HA ALA A 83 9.488 7.328 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.730 8.081 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.389 8.651 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.377 7.265 2.684 1.00 0.00 H new ATOM 1291 N LYS A 84 11.324 5.983 -0.766 1.00 0.00 N ATOM 1292 CA LYS A 84 11.928 4.954 -1.636 1.00 0.00 C ATOM 1293 C LYS A 84 13.307 5.357 -2.177 1.00 0.00 C ATOM 1294 O LYS A 84 14.307 4.776 -1.752 1.00 0.00 O ATOM 1295 CB LYS A 84 10.912 4.655 -2.758 1.00 0.00 C ATOM 1296 CG LYS A 84 11.295 3.519 -3.715 1.00 0.00 C ATOM 1297 CD LYS A 84 11.612 2.178 -3.041 1.00 0.00 C ATOM 1298 CE LYS A 84 10.483 1.618 -2.161 1.00 0.00 C ATOM 1299 NZ LYS A 84 9.308 1.179 -2.962 1.00 0.00 N ATOM 0 H LYS A 84 11.387 6.933 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 84 12.127 4.052 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.953 4.412 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.765 5.564 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.478 3.369 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.164 3.831 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.849 1.446 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.506 2.297 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.861 0.775 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.169 2.380 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.573 0.809 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.930 1.988 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.599 0.433 -3.625 1.00 0.00 H new ATOM 1313 N LYS A 85 13.359 6.350 -3.079 1.00 0.00 N ATOM 1314 CA LYS A 85 14.634 6.852 -3.643 1.00 0.00 C ATOM 1315 C LYS A 85 14.447 8.221 -4.319 1.00 0.00 C ATOM 1316 O LYS A 85 13.361 8.463 -4.852 1.00 0.00 O ATOM 1317 CB LYS A 85 15.224 5.838 -4.655 1.00 0.00 C ATOM 1318 CG LYS A 85 14.364 5.516 -5.901 1.00 0.00 C ATOM 1319 CD LYS A 85 14.622 6.378 -7.155 1.00 0.00 C ATOM 1320 CE LYS A 85 16.053 6.312 -7.715 1.00 0.00 C ATOM 1321 NZ LYS A 85 16.407 4.956 -8.217 1.00 0.00 N ATOM 0 H LYS A 85 12.532 6.827 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 85 15.333 6.972 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.187 6.219 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.419 4.905 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.525 4.471 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.314 5.618 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.929 6.069 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.390 7.416 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.156 7.034 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.758 6.603 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.380 4.965 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.336 4.269 -7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.753 4.686 -8.979 1.00 0.00 H new ATOM 1335 N PRO A 86 15.482 9.084 -4.360 1.00 0.00 N ATOM 1336 CA PRO A 86 15.488 10.319 -5.139 1.00 0.00 C ATOM 1337 C PRO A 86 16.175 10.192 -6.509 1.00 0.00 C ATOM 1338 O PRO A 86 16.965 9.279 -6.757 1.00 0.00 O ATOM 1339 CB PRO A 86 16.237 11.300 -4.245 1.00 0.00 C ATOM 1340 CG PRO A 86 17.335 10.422 -3.659 1.00 0.00 C ATOM 1341 CD PRO A 86 16.632 9.075 -3.462 1.00 0.00 C ATOM 0 HA PRO A 86 14.473 10.628 -5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.644 12.138 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.594 11.719 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.187 10.338 -4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.712 10.822 -2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.302 8.248 -3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.317 8.948 -2.426 1.00 0.00 H new