USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= -0.0403 K(o=-0.028,f=-4.4!) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.941 (180deg=0.836) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 22 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0551 (180deg=-0.25) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -11:sc= 0.213 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -58:sc= 0.0302 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -135:sc= 0.518 USER MOD Single : A 57 THR OG1 : rot -57:sc= 0.028 USER MOD Single : A 60 SER OG : rot 180:sc= -0.396 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 151:sc= -1.75 (180deg=-5.41!) USER MOD Single : A 72 ASN : amide:sc= 1.13 K(o=1.1,f=-0.073) USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.241) USER MOD Single : A 75 SER OG : rot -77:sc= 0.358 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.697 K(o=0.7,f=-1.2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -0.812 10.288 1.735 1.00 0.00 N ATOM 134 CA GLY A 10 -0.733 9.267 0.677 1.00 0.00 C ATOM 135 C GLY A 10 -0.809 7.818 1.160 1.00 0.00 C ATOM 136 O GLY A 10 -0.710 6.890 0.364 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.543 9.439 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.202 9.403 0.133 1.00 0.00 H new ATOM 140 N LYS A 11 -0.989 7.597 2.457 1.00 0.00 N ATOM 141 CA LYS A 11 -1.027 6.274 3.065 1.00 0.00 C ATOM 142 C LYS A 11 -2.047 5.343 2.393 1.00 0.00 C ATOM 143 O LYS A 11 -3.181 5.760 2.131 1.00 0.00 O ATOM 144 CB LYS A 11 -1.174 6.470 4.574 1.00 0.00 C ATOM 145 CG LYS A 11 -2.440 7.151 5.123 1.00 0.00 C ATOM 146 CD LYS A 11 -3.430 6.116 5.651 1.00 0.00 C ATOM 147 CE LYS A 11 -4.236 6.655 6.833 1.00 0.00 C ATOM 148 NZ LYS A 11 -5.217 5.655 7.292 1.00 0.00 N ATOM 0 H LYS A 11 -1.116 8.352 3.131 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.098 5.729 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.101 5.488 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.316 7.049 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.169 7.841 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.910 7.742 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.110 5.822 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.891 5.220 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.563 6.914 7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.751 7.570 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.610 5.949 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.985 5.577 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.749 4.732 7.396 1.00 0.00 H new ATOM 162 N LEU A 12 -1.638 4.111 2.077 1.00 0.00 N ATOM 163 CA LEU A 12 -2.345 3.152 1.219 1.00 0.00 C ATOM 164 C LEU A 12 -2.657 1.862 2.005 1.00 0.00 C ATOM 165 O LEU A 12 -2.521 1.859 3.229 1.00 0.00 O ATOM 166 CB LEU A 12 -1.499 2.903 -0.056 1.00 0.00 C ATOM 167 CG LEU A 12 -2.127 3.470 -1.344 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.196 3.370 -2.560 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.401 2.689 -1.660 1.00 0.00 C ATOM 0 H LEU A 12 -0.759 3.735 2.431 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.308 3.553 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.513 3.347 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.351 1.830 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.328 4.526 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.695 3.785 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.281 3.929 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.950 2.324 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.853 3.083 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.157 1.636 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.104 2.789 -0.833 1.00 0.00 H new ATOM 181 N PHE A 13 -3.152 0.793 1.362 1.00 0.00 N ATOM 182 CA PHE A 13 -3.477 -0.479 2.016 1.00 0.00 C ATOM 183 C PHE A 13 -3.441 -1.625 0.994 1.00 0.00 C ATOM 184 O PHE A 13 -4.043 -1.488 -0.073 1.00 0.00 O ATOM 185 CB PHE A 13 -4.889 -0.363 2.620 1.00 0.00 C ATOM 186 CG PHE A 13 -5.158 -1.289 3.781 1.00 0.00 C ATOM 187 CD1 PHE A 13 -4.808 -0.879 5.080 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.779 -2.536 3.580 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.096 -1.700 6.181 1.00 0.00 C ATOM 190 CE2 PHE A 13 -6.053 -3.367 4.682 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.717 -2.948 5.983 1.00 0.00 C ATOM 0 H PHE A 13 -3.339 0.790 0.359 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.747 -0.692 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.045 0.664 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.621 -0.562 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.316 0.071 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.044 -2.854 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.842 -1.375 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.522 -4.328 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.935 -3.583 6.829 1.00 0.00 H new ATOM 201 N ILE A 14 -2.805 -2.764 1.304 1.00 0.00 N ATOM 202 CA ILE A 14 -2.808 -3.958 0.449 1.00 0.00 C ATOM 203 C ILE A 14 -3.080 -5.201 1.308 1.00 0.00 C ATOM 204 O ILE A 14 -2.643 -5.251 2.459 1.00 0.00 O ATOM 205 CB ILE A 14 -1.459 -4.088 -0.299 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.035 -2.808 -1.051 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.522 -5.224 -1.339 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.011 -1.959 -0.296 1.00 0.00 C ATOM 0 H ILE A 14 -2.269 -2.882 2.164 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.597 -3.867 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.726 -4.291 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.619 -3.087 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.920 -2.203 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.564 -5.299 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.738 -6.166 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.308 -5.011 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.238 -1.078 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.431 -1.648 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.891 -2.546 -0.123 1.00 0.00 H new ATOM 220 N GLY A 15 -3.742 -6.223 0.750 1.00 0.00 N ATOM 221 CA GLY A 15 -4.096 -7.444 1.471 1.00 0.00 C ATOM 222 C GLY A 15 -4.478 -8.613 0.564 1.00 0.00 C ATOM 223 O GLY A 15 -5.605 -9.099 0.658 1.00 0.00 O ATOM 0 H GLY A 15 -4.048 -6.222 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.254 -7.742 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.929 -7.230 2.141 1.00 0.00 H new ATOM 227 N GLY A 16 -3.576 -9.065 -0.314 1.00 0.00 N ATOM 228 CA GLY A 16 -3.759 -10.278 -1.121 1.00 0.00 C ATOM 229 C GLY A 16 -2.469 -10.735 -1.814 1.00 0.00 C ATOM 230 O GLY A 16 -2.520 -11.234 -2.933 1.00 0.00 O ATOM 0 H GLY A 16 -2.688 -8.594 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.126 -11.081 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.525 -10.095 -1.875 1.00 0.00 H new ATOM 234 N LEU A 17 -1.310 -10.469 -1.207 1.00 0.00 N ATOM 235 CA LEU A 17 0.006 -10.598 -1.833 1.00 0.00 C ATOM 236 C LEU A 17 0.470 -12.042 -1.990 1.00 0.00 C ATOM 237 O LEU A 17 -0.100 -12.963 -1.408 1.00 0.00 O ATOM 238 CB LEU A 17 1.060 -9.850 -0.989 1.00 0.00 C ATOM 239 CG LEU A 17 0.919 -8.324 -0.974 1.00 0.00 C ATOM 240 CD1 LEU A 17 2.144 -7.725 -0.279 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.798 -7.769 -2.396 1.00 0.00 C ATOM 0 H LEU A 17 -1.261 -10.149 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.094 -10.170 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.006 -10.214 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.051 -10.104 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 17 0.012 -8.054 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.057 -6.639 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.203 -8.101 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.045 -8.008 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.699 -6.684 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.689 -8.031 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.081 -8.196 -2.880 1.00 0.00 H new ATOM 253 N ASN A 18 1.589 -12.201 -2.698 1.00 0.00 N ATOM 254 CA ASN A 18 2.482 -13.352 -2.684 1.00 0.00 C ATOM 255 C ASN A 18 2.920 -13.770 -1.276 1.00 0.00 C ATOM 256 O ASN A 18 2.677 -13.104 -0.267 1.00 0.00 O ATOM 257 CB ASN A 18 3.744 -13.060 -3.528 1.00 0.00 C ATOM 258 CG ASN A 18 4.246 -14.280 -4.297 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.901 -15.419 -3.991 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.083 -14.083 -5.295 1.00 0.00 N ATOM 0 H ASN A 18 1.914 -11.477 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 18 1.910 -14.177 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.525 -12.258 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.537 -12.700 -2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.449 -14.878 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.366 -13.135 -5.544 1.00 0.00 H new ATOM 267 N THR A 19 3.664 -14.868 -1.233 1.00 0.00 N ATOM 268 CA THR A 19 4.350 -15.390 -0.070 1.00 0.00 C ATOM 269 C THR A 19 5.870 -15.141 -0.149 1.00 0.00 C ATOM 270 O THR A 19 6.580 -15.497 0.791 1.00 0.00 O ATOM 271 CB THR A 19 3.950 -16.872 0.106 1.00 0.00 C ATOM 272 OG1 THR A 19 3.729 -17.525 -1.134 1.00 0.00 O ATOM 273 CG2 THR A 19 2.649 -16.985 0.901 1.00 0.00 C ATOM 0 H THR A 19 3.810 -15.448 -2.060 1.00 0.00 H new ATOM 0 HA THR A 19 4.043 -14.858 0.831 1.00 0.00 H new ATOM 0 HB THR A 19 4.782 -17.345 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.480 -18.459 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.383 -18.036 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.784 -16.536 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.852 -16.464 0.370 1.00 0.00 H new ATOM 281 N GLU A 20 6.403 -14.506 -1.202 1.00 0.00 N ATOM 282 CA GLU A 20 7.848 -14.313 -1.347 1.00 0.00 C ATOM 283 C GLU A 20 8.165 -12.943 -1.964 1.00 0.00 C ATOM 284 O GLU A 20 8.718 -12.841 -3.060 1.00 0.00 O ATOM 285 CB GLU A 20 8.438 -15.526 -2.104 1.00 0.00 C ATOM 286 CG GLU A 20 9.968 -15.645 -2.033 1.00 0.00 C ATOM 287 CD GLU A 20 10.460 -15.626 -0.588 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.338 -16.644 0.133 1.00 0.00 O ATOM 289 OE2 GLU A 20 10.854 -14.535 -0.123 1.00 0.00 O ATOM 0 H GLU A 20 5.851 -14.117 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 20 8.338 -14.284 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.997 -16.438 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.140 -15.464 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.286 -16.569 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.425 -14.824 -2.586 1.00 0.00 H new ATOM 296 N THR A 21 7.809 -11.877 -1.248 1.00 0.00 N ATOM 297 CA THR A 21 7.986 -10.484 -1.660 1.00 0.00 C ATOM 298 C THR A 21 8.738 -9.686 -0.570 1.00 0.00 C ATOM 299 O THR A 21 8.639 -10.015 0.614 1.00 0.00 O ATOM 300 CB THR A 21 6.585 -9.944 -2.001 1.00 0.00 C ATOM 301 OG1 THR A 21 6.068 -10.689 -3.087 1.00 0.00 O ATOM 302 CG2 THR A 21 6.576 -8.473 -2.390 1.00 0.00 C ATOM 0 H THR A 21 7.373 -11.963 -0.330 1.00 0.00 H new ATOM 0 HA THR A 21 8.615 -10.386 -2.544 1.00 0.00 H new ATOM 0 HB THR A 21 5.980 -10.045 -1.100 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.174 -10.358 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.556 -8.163 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.962 -7.876 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.204 -8.325 -3.269 1.00 0.00 H new ATOM 310 N ASN A 22 9.473 -8.632 -0.957 1.00 0.00 N ATOM 311 CA ASN A 22 10.219 -7.709 -0.084 1.00 0.00 C ATOM 312 C ASN A 22 10.113 -6.264 -0.567 1.00 0.00 C ATOM 313 O ASN A 22 9.735 -6.019 -1.709 1.00 0.00 O ATOM 314 CB ASN A 22 11.706 -8.079 0.032 1.00 0.00 C ATOM 315 CG ASN A 22 12.462 -8.326 -1.277 1.00 0.00 C ATOM 316 OD1 ASN A 22 13.509 -8.964 -1.263 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.031 -7.796 -2.415 1.00 0.00 N ATOM 0 H ASN A 22 9.569 -8.386 -1.942 1.00 0.00 H new ATOM 0 HA ASN A 22 9.757 -7.802 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.214 -7.279 0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.785 -8.977 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.570 -7.920 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.161 -7.264 -2.433 1.00 0.00 H new ATOM 324 N GLU A 23 10.493 -5.312 0.284 1.00 0.00 N ATOM 325 CA GLU A 23 10.071 -3.903 0.190 1.00 0.00 C ATOM 326 C GLU A 23 10.640 -3.162 -1.020 1.00 0.00 C ATOM 327 O GLU A 23 9.961 -2.319 -1.597 1.00 0.00 O ATOM 328 CB GLU A 23 10.381 -3.128 1.483 1.00 0.00 C ATOM 329 CG GLU A 23 9.694 -3.833 2.657 1.00 0.00 C ATOM 330 CD GLU A 23 9.809 -3.109 3.997 1.00 0.00 C ATOM 331 OE1 GLU A 23 10.769 -2.332 4.195 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.010 -3.447 4.898 1.00 0.00 O ATOM 0 H GLU A 23 11.113 -5.494 1.073 1.00 0.00 H new ATOM 0 HA GLU A 23 8.991 -3.944 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.458 -3.083 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.028 -2.100 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.638 -3.960 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.119 -4.831 2.762 1.00 0.00 H new ATOM 339 N LYS A 24 11.837 -3.506 -1.493 1.00 0.00 N ATOM 340 CA LYS A 24 12.298 -2.901 -2.746 1.00 0.00 C ATOM 341 C LYS A 24 11.444 -3.333 -3.940 1.00 0.00 C ATOM 342 O LYS A 24 11.295 -2.568 -4.890 1.00 0.00 O ATOM 343 CB LYS A 24 13.791 -3.136 -2.999 1.00 0.00 C ATOM 344 CG LYS A 24 14.242 -4.582 -3.270 1.00 0.00 C ATOM 345 CD LYS A 24 14.789 -5.286 -2.021 1.00 0.00 C ATOM 346 CE LYS A 24 15.307 -6.695 -2.338 1.00 0.00 C ATOM 347 NZ LYS A 24 16.351 -6.712 -3.383 1.00 0.00 N ATOM 0 H LYS A 24 12.479 -4.167 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 24 12.169 -1.825 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.089 -2.525 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.342 -2.767 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.399 -5.152 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.010 -4.578 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.595 -4.691 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.004 -5.349 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.707 -7.141 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.472 -7.318 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.812 -7.644 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.918 -6.526 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.059 -5.978 -3.178 1.00 0.00 H new ATOM 361 N ALA A 25 10.866 -4.536 -3.912 1.00 0.00 N ATOM 362 CA ALA A 25 10.015 -5.015 -4.992 1.00 0.00 C ATOM 363 C ALA A 25 8.666 -4.295 -4.959 1.00 0.00 C ATOM 364 O ALA A 25 8.102 -4.017 -6.014 1.00 0.00 O ATOM 365 CB ALA A 25 9.835 -6.532 -4.891 1.00 0.00 C ATOM 0 H ALA A 25 10.976 -5.198 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 25 10.493 -4.795 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.197 -6.878 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.808 -7.019 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.372 -6.781 -3.936 1.00 0.00 H new ATOM 371 N LEU A 26 8.170 -3.965 -3.763 1.00 0.00 N ATOM 372 CA LEU A 26 6.979 -3.154 -3.519 1.00 0.00 C ATOM 373 C LEU A 26 7.086 -1.809 -4.249 1.00 0.00 C ATOM 374 O LEU A 26 6.088 -1.330 -4.789 1.00 0.00 O ATOM 375 CB LEU A 26 6.844 -2.947 -1.996 1.00 0.00 C ATOM 376 CG LEU A 26 5.982 -3.929 -1.200 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.516 -3.567 -1.258 1.00 0.00 C ATOM 378 CD2 LEU A 26 6.165 -5.383 -1.606 1.00 0.00 C ATOM 0 H LEU A 26 8.612 -4.273 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 26 6.093 -3.661 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.847 -2.964 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.445 -1.946 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 26 6.338 -3.836 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.940 -4.289 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.371 -2.570 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.179 -3.580 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.520 -6.015 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.902 -5.503 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.205 -5.674 -1.457 1.00 0.00 H new ATOM 390 N GLU A 27 8.265 -1.182 -4.286 1.00 0.00 N ATOM 391 CA GLU A 27 8.464 0.069 -5.023 1.00 0.00 C ATOM 392 C GLU A 27 8.184 -0.138 -6.520 1.00 0.00 C ATOM 393 O GLU A 27 7.540 0.694 -7.169 1.00 0.00 O ATOM 394 CB GLU A 27 9.893 0.599 -4.844 1.00 0.00 C ATOM 395 CG GLU A 27 10.302 0.922 -3.399 1.00 0.00 C ATOM 396 CD GLU A 27 11.730 1.482 -3.317 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.564 1.160 -4.202 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.014 2.267 -2.385 1.00 0.00 O ATOM 0 H GLU A 27 9.101 -1.523 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 27 7.765 0.802 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.588 -0.139 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.005 1.501 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.604 1.646 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.231 0.020 -2.792 1.00 0.00 H new ATOM 405 N ALA A 28 8.638 -1.271 -7.075 1.00 0.00 N ATOM 406 CA ALA A 28 8.447 -1.606 -8.483 1.00 0.00 C ATOM 407 C ALA A 28 6.958 -1.723 -8.819 1.00 0.00 C ATOM 408 O ALA A 28 6.557 -1.314 -9.912 1.00 0.00 O ATOM 409 CB ALA A 28 9.180 -2.901 -8.855 1.00 0.00 C ATOM 0 H ALA A 28 9.150 -1.981 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 28 8.874 -0.795 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.017 -3.121 -9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.247 -2.781 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.797 -3.723 -8.249 1.00 0.00 H new ATOM 415 N VAL A 29 6.151 -2.227 -7.880 1.00 0.00 N ATOM 416 CA VAL A 29 4.707 -2.356 -8.024 1.00 0.00 C ATOM 417 C VAL A 29 4.066 -0.968 -8.145 1.00 0.00 C ATOM 418 O VAL A 29 3.674 -0.562 -9.238 1.00 0.00 O ATOM 419 CB VAL A 29 4.112 -3.205 -6.871 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.624 -3.457 -7.104 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.795 -4.574 -6.753 1.00 0.00 C ATOM 0 H VAL A 29 6.496 -2.563 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 29 4.479 -2.894 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 29 4.275 -2.636 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.224 -4.054 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.096 -2.504 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.488 -3.993 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.347 -5.135 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.666 -5.127 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.858 -4.435 -6.559 1.00 0.00 H new ATOM 431 N PHE A 30 3.937 -0.227 -7.043 1.00 0.00 N ATOM 432 CA PHE A 30 2.997 0.891 -6.989 1.00 0.00 C ATOM 433 C PHE A 30 3.641 2.205 -7.445 1.00 0.00 C ATOM 434 O PHE A 30 2.931 3.162 -7.742 1.00 0.00 O ATOM 435 CB PHE A 30 2.395 0.989 -5.577 1.00 0.00 C ATOM 436 CG PHE A 30 1.580 -0.215 -5.171 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.215 -0.265 -5.486 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.180 -1.304 -4.519 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.535 -1.414 -5.208 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.426 -2.443 -4.215 1.00 0.00 C ATOM 441 CZ PHE A 30 0.067 -2.501 -4.555 1.00 0.00 C ATOM 0 H PHE A 30 4.466 -0.379 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 30 2.186 0.703 -7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.202 1.127 -4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.764 1.876 -5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.261 0.588 -5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.226 -1.263 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.575 -1.464 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.892 -3.280 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.515 -3.379 -4.315 1.00 0.00 H new ATOM 451 N GLY A 31 4.972 2.272 -7.548 1.00 0.00 N ATOM 452 CA GLY A 31 5.671 3.532 -7.765 1.00 0.00 C ATOM 453 C GLY A 31 5.365 4.180 -9.113 1.00 0.00 C ATOM 454 O GLY A 31 5.399 5.403 -9.212 1.00 0.00 O ATOM 0 H GLY A 31 5.586 1.460 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.404 4.227 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.745 3.359 -7.690 1.00 0.00 H new ATOM 458 N LYS A 32 5.013 3.399 -10.136 1.00 0.00 N ATOM 459 CA LYS A 32 4.738 3.899 -11.486 1.00 0.00 C ATOM 460 C LYS A 32 3.472 4.757 -11.605 1.00 0.00 C ATOM 461 O LYS A 32 3.144 5.193 -12.709 1.00 0.00 O ATOM 462 CB LYS A 32 4.758 2.737 -12.488 1.00 0.00 C ATOM 463 CG LYS A 32 3.649 1.697 -12.237 1.00 0.00 C ATOM 464 CD LYS A 32 4.196 0.271 -12.153 1.00 0.00 C ATOM 465 CE LYS A 32 4.842 -0.165 -13.466 1.00 0.00 C ATOM 466 NZ LYS A 32 5.596 -1.422 -13.308 1.00 0.00 N ATOM 0 H LYS A 32 4.909 2.388 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 32 5.542 4.593 -11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.652 3.135 -13.497 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.728 2.242 -12.441 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.130 1.940 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.913 1.754 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.929 0.209 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.387 -0.415 -11.900 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.071 -0.295 -14.226 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.511 0.619 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.021 -1.689 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.347 -1.290 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.952 -2.176 -12.993 1.00 0.00 H new ATOM 480 N TYR A 33 2.757 5.000 -10.506 1.00 0.00 N ATOM 481 CA TYR A 33 1.563 5.835 -10.476 1.00 0.00 C ATOM 482 C TYR A 33 1.775 7.116 -9.664 1.00 0.00 C ATOM 483 O TYR A 33 0.840 7.912 -9.568 1.00 0.00 O ATOM 484 CB TYR A 33 0.374 5.018 -9.966 1.00 0.00 C ATOM 485 CG TYR A 33 0.142 3.735 -10.746 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.564 3.748 -11.964 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.678 2.527 -10.266 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.701 2.561 -12.707 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.527 1.331 -10.990 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.138 1.353 -12.234 1.00 0.00 C ATOM 491 OH TYR A 33 -0.238 0.223 -12.982 1.00 0.00 O ATOM 0 H TYR A 33 3.000 4.612 -9.594 1.00 0.00 H new ATOM 0 HA TYR A 33 1.345 6.161 -11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.536 4.772 -8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.526 5.631 -10.015 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.999 4.667 -12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.213 2.518 -9.328 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.239 2.572 -13.643 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.917 0.404 -10.597 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.869 0.372 -13.717 1.00 0.00 H new ATOM 501 N GLY A 34 2.968 7.340 -9.094 1.00 0.00 N ATOM 502 CA GLY A 34 3.250 8.579 -8.366 1.00 0.00 C ATOM 503 C GLY A 34 4.356 8.530 -7.314 1.00 0.00 C ATOM 504 O GLY A 34 4.405 9.402 -6.450 1.00 0.00 O ATOM 0 H GLY A 34 3.747 6.682 -9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.509 9.348 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.331 8.901 -7.876 1.00 0.00 H new ATOM 508 N ARG A 35 5.277 7.568 -7.419 1.00 0.00 N ATOM 509 CA ARG A 35 6.332 7.246 -6.456 1.00 0.00 C ATOM 510 C ARG A 35 5.770 6.807 -5.104 1.00 0.00 C ATOM 511 O ARG A 35 4.589 6.928 -4.796 1.00 0.00 O ATOM 512 CB ARG A 35 7.368 8.381 -6.290 1.00 0.00 C ATOM 513 CG ARG A 35 8.033 8.850 -7.596 1.00 0.00 C ATOM 514 CD ARG A 35 7.336 10.046 -8.254 1.00 0.00 C ATOM 515 NE ARG A 35 7.395 11.252 -7.420 1.00 0.00 N ATOM 516 CZ ARG A 35 6.709 12.383 -7.600 1.00 0.00 C ATOM 517 NH1 ARG A 35 5.829 12.529 -8.585 1.00 0.00 N ATOM 518 NH2 ARG A 35 6.920 13.391 -6.770 1.00 0.00 N ATOM 0 H ARG A 35 5.307 6.954 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 35 6.865 6.396 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.877 9.235 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.146 8.045 -5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.070 9.115 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.051 8.019 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.802 10.250 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.294 9.793 -8.451 1.00 0.00 H new ATOM 0 HE ARG A 35 8.026 11.223 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.659 11.762 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.323 13.409 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.595 13.294 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.407 14.265 -6.888 1.00 0.00 H new ATOM 532 N ILE A 36 6.655 6.247 -4.295 1.00 0.00 N ATOM 533 CA ILE A 36 6.425 5.776 -2.943 1.00 0.00 C ATOM 534 C ILE A 36 7.666 6.202 -2.185 1.00 0.00 C ATOM 535 O ILE A 36 8.769 6.177 -2.741 1.00 0.00 O ATOM 536 CB ILE A 36 6.298 4.240 -2.882 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.466 3.669 -4.037 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.706 3.793 -1.534 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.386 2.156 -3.956 1.00 0.00 C ATOM 0 H ILE A 36 7.621 6.100 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 36 5.498 6.180 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 36 7.308 3.842 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.462 4.091 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.909 3.963 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.626 2.706 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.356 4.124 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.716 4.232 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.790 1.778 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.390 1.735 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.920 1.866 -3.014 1.00 0.00 H new ATOM 551 N VAL A 37 7.492 6.559 -0.922 1.00 0.00 N ATOM 552 CA VAL A 37 8.574 7.086 -0.111 1.00 0.00 C ATOM 553 C VAL A 37 8.683 6.340 1.221 1.00 0.00 C ATOM 554 O VAL A 37 9.590 6.615 2.007 1.00 0.00 O ATOM 555 CB VAL A 37 8.398 8.613 0.004 1.00 0.00 C ATOM 556 CG1 VAL A 37 8.590 9.272 -1.369 1.00 0.00 C ATOM 557 CG2 VAL A 37 7.027 9.043 0.557 1.00 0.00 C ATOM 0 H VAL A 37 6.599 6.491 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 37 9.541 6.914 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 37 9.157 8.942 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.463 10.351 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.592 9.055 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.851 8.879 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.980 10.131 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.238 8.676 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.890 8.627 1.555 1.00 0.00 H new ATOM 567 N GLU A 38 7.801 5.374 1.485 1.00 0.00 N ATOM 568 CA GLU A 38 7.774 4.586 2.705 1.00 0.00 C ATOM 569 C GLU A 38 7.010 3.289 2.374 1.00 0.00 C ATOM 570 O GLU A 38 6.026 3.317 1.627 1.00 0.00 O ATOM 571 CB GLU A 38 7.044 5.440 3.743 1.00 0.00 C ATOM 572 CG GLU A 38 7.255 5.116 5.221 1.00 0.00 C ATOM 573 CD GLU A 38 6.015 5.529 6.031 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.398 6.586 5.757 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.517 4.702 6.830 1.00 0.00 O ATOM 0 H GLU A 38 7.064 5.115 0.829 1.00 0.00 H new ATOM 0 HA GLU A 38 8.757 4.319 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.336 6.478 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.976 5.374 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.442 4.049 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.135 5.640 5.595 1.00 0.00 H new ATOM 582 N VAL A 39 7.460 2.159 2.912 1.00 0.00 N ATOM 583 CA VAL A 39 6.893 0.823 2.766 1.00 0.00 C ATOM 584 C VAL A 39 7.055 0.126 4.123 1.00 0.00 C ATOM 585 O VAL A 39 8.074 0.324 4.796 1.00 0.00 O ATOM 586 CB VAL A 39 7.582 0.045 1.609 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.042 -1.386 1.515 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.355 0.711 0.236 1.00 0.00 C ATOM 0 H VAL A 39 8.291 2.153 3.504 1.00 0.00 H new ATOM 0 HA VAL A 39 5.838 0.867 2.495 1.00 0.00 H new ATOM 0 HB VAL A 39 8.647 0.047 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.539 -1.910 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.233 -1.909 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.969 -1.358 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.856 0.129 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.287 0.753 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.762 1.722 0.250 1.00 0.00 H new ATOM 598 N LEU A 40 6.078 -0.706 4.503 1.00 0.00 N ATOM 599 CA LEU A 40 6.039 -1.433 5.764 1.00 0.00 C ATOM 600 C LEU A 40 5.411 -2.811 5.518 1.00 0.00 C ATOM 601 O LEU A 40 4.188 -2.976 5.541 1.00 0.00 O ATOM 602 CB LEU A 40 5.292 -0.586 6.821 1.00 0.00 C ATOM 603 CG LEU A 40 6.031 -0.541 8.168 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.513 0.613 9.026 1.00 0.00 C ATOM 605 CD2 LEU A 40 5.861 -1.857 8.934 1.00 0.00 C ATOM 0 H LEU A 40 5.266 -0.894 3.915 1.00 0.00 H new ATOM 0 HA LEU A 40 7.040 -1.605 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.166 0.429 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.294 -0.997 6.971 1.00 0.00 H new ATOM 0 HG LEU A 40 7.090 -0.389 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.048 0.629 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.674 1.556 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.447 0.478 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.394 -1.797 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.802 -2.034 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.266 -2.678 8.342 1.00 0.00 H new ATOM 617 N LEU A 41 6.241 -3.814 5.222 1.00 0.00 N ATOM 618 CA LEU A 41 5.797 -5.172 4.921 1.00 0.00 C ATOM 619 C LEU A 41 5.519 -5.929 6.217 1.00 0.00 C ATOM 620 O LEU A 41 6.412 -6.047 7.058 1.00 0.00 O ATOM 621 CB LEU A 41 6.875 -5.904 4.101 1.00 0.00 C ATOM 622 CG LEU A 41 6.404 -7.277 3.587 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.305 -7.096 2.538 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.557 -8.064 2.962 1.00 0.00 C ATOM 0 H LEU A 41 7.254 -3.701 5.185 1.00 0.00 H new ATOM 0 HA LEU A 41 4.878 -5.126 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.164 -5.283 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.765 -6.037 4.716 1.00 0.00 H new ATOM 0 HG LEU A 41 6.020 -7.834 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.979 -8.073 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.460 -6.572 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.693 -6.515 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.190 -9.028 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.968 -7.503 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.336 -8.223 3.708 1.00 0.00 H new ATOM 636 N MET A 42 4.319 -6.482 6.382 1.00 0.00 N ATOM 637 CA MET A 42 3.976 -7.274 7.565 1.00 0.00 C ATOM 638 C MET A 42 4.455 -8.723 7.375 1.00 0.00 C ATOM 639 O MET A 42 4.635 -9.183 6.240 1.00 0.00 O ATOM 640 CB MET A 42 2.461 -7.194 7.820 1.00 0.00 C ATOM 641 CG MET A 42 1.960 -5.741 7.865 1.00 0.00 C ATOM 642 SD MET A 42 2.849 -4.638 9.003 1.00 0.00 S ATOM 643 CE MET A 42 2.145 -5.192 10.578 1.00 0.00 C ATOM 0 H MET A 42 3.561 -6.396 5.705 1.00 0.00 H new ATOM 0 HA MET A 42 4.480 -6.873 8.444 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.932 -7.736 7.036 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.226 -7.688 8.763 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.022 -5.323 6.860 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.906 -5.748 8.143 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.582 -4.617 11.394 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.065 -5.043 10.566 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.364 -6.250 10.722 1.00 0.00 H new ATOM 653 N LYS A 43 4.663 -9.466 8.461 1.00 0.00 N ATOM 654 CA LYS A 43 5.205 -10.821 8.456 1.00 0.00 C ATOM 655 C LYS A 43 4.563 -11.651 9.555 1.00 0.00 C ATOM 656 O LYS A 43 4.068 -11.121 10.551 1.00 0.00 O ATOM 657 CB LYS A 43 6.724 -10.789 8.698 1.00 0.00 C ATOM 658 CG LYS A 43 7.509 -10.334 7.465 1.00 0.00 C ATOM 659 CD LYS A 43 8.990 -10.209 7.819 1.00 0.00 C ATOM 660 CE LYS A 43 9.835 -9.796 6.608 1.00 0.00 C ATOM 661 NZ LYS A 43 11.252 -9.608 6.983 1.00 0.00 N ATOM 0 H LYS A 43 4.451 -9.128 9.400 1.00 0.00 H new ATOM 0 HA LYS A 43 4.992 -11.264 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.941 -10.119 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.062 -11.783 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.378 -11.049 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.127 -9.376 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.112 -9.474 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.352 -11.161 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.760 -10.558 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.442 -8.871 6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.799 -9.329 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.324 -8.864 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.632 -10.498 7.363 1.00 0.00 H new ATOM 675 N ASP A 44 4.620 -12.963 9.372 1.00 0.00 N ATOM 676 CA ASP A 44 4.354 -13.941 10.419 1.00 0.00 C ATOM 677 C ASP A 44 5.512 -14.015 11.415 1.00 0.00 C ATOM 678 O ASP A 44 6.635 -13.606 11.111 1.00 0.00 O ATOM 679 CB ASP A 44 4.094 -15.339 9.834 1.00 0.00 C ATOM 680 CG ASP A 44 3.115 -16.054 10.760 1.00 0.00 C ATOM 681 OD1 ASP A 44 3.575 -16.725 11.704 1.00 0.00 O ATOM 682 OD2 ASP A 44 1.891 -15.803 10.645 1.00 0.00 O ATOM 0 H ASP A 44 4.857 -13.386 8.475 1.00 0.00 H new ATOM 0 HA ASP A 44 3.457 -13.607 10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.682 -15.262 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.025 -15.900 9.755 1.00 0.00 H new ATOM 687 N ARG A 45 5.259 -14.586 12.596 1.00 0.00 N ATOM 688 CA ARG A 45 6.281 -14.892 13.585 1.00 0.00 C ATOM 689 C ARG A 45 6.874 -16.282 13.374 1.00 0.00 C ATOM 690 O ARG A 45 7.994 -16.515 13.822 1.00 0.00 O ATOM 691 CB ARG A 45 5.650 -14.747 14.979 1.00 0.00 C ATOM 692 CG ARG A 45 6.629 -14.935 16.147 1.00 0.00 C ATOM 693 CD ARG A 45 6.539 -16.339 16.750 1.00 0.00 C ATOM 694 NE ARG A 45 7.648 -16.597 17.679 1.00 0.00 N ATOM 695 CZ ARG A 45 7.675 -17.532 18.632 1.00 0.00 C ATOM 696 NH1 ARG A 45 6.628 -18.317 18.829 1.00 0.00 N ATOM 697 NH2 ARG A 45 8.755 -17.682 19.385 1.00 0.00 N ATOM 0 H ARG A 45 4.319 -14.851 12.891 1.00 0.00 H new ATOM 0 HA ARG A 45 7.113 -14.196 13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.197 -13.759 15.057 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.845 -15.475 15.076 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.646 -14.754 15.800 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.419 -14.195 16.919 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.590 -16.451 17.274 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.552 -17.081 15.951 1.00 0.00 H new ATOM 0 HE ARG A 45 8.475 -16.007 17.587 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.794 -18.210 18.251 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.655 -19.029 19.559 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.567 -17.083 19.237 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.774 -18.397 20.113 1.00 0.00 H new ATOM 711 N GLU A 46 6.168 -17.205 12.715 1.00 0.00 N ATOM 712 CA GLU A 46 6.556 -18.605 12.649 1.00 0.00 C ATOM 713 C GLU A 46 7.906 -18.747 11.962 1.00 0.00 C ATOM 714 O GLU A 46 8.815 -19.357 12.520 1.00 0.00 O ATOM 715 CB GLU A 46 5.462 -19.409 11.931 1.00 0.00 C ATOM 716 CG GLU A 46 5.920 -20.847 11.638 1.00 0.00 C ATOM 717 CD GLU A 46 4.762 -21.781 11.300 1.00 0.00 C ATOM 718 OE1 GLU A 46 3.812 -21.862 12.116 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.802 -22.473 10.262 1.00 0.00 O ATOM 0 H GLU A 46 5.307 -16.994 12.211 1.00 0.00 H new ATOM 0 HA GLU A 46 6.662 -19.004 13.658 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.562 -19.431 12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.198 -18.913 10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.626 -20.836 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.454 -21.237 12.505 1.00 0.00 H new ATOM 726 N THR A 47 8.033 -18.214 10.746 1.00 0.00 N ATOM 727 CA THR A 47 9.216 -18.470 9.935 1.00 0.00 C ATOM 728 C THR A 47 9.450 -17.306 8.969 1.00 0.00 C ATOM 729 O THR A 47 9.613 -17.488 7.766 1.00 0.00 O ATOM 730 CB THR A 47 9.101 -19.881 9.321 1.00 0.00 C ATOM 731 OG1 THR A 47 10.317 -20.241 8.717 1.00 0.00 O ATOM 732 CG2 THR A 47 7.961 -20.072 8.351 1.00 0.00 C ATOM 0 H THR A 47 7.338 -17.610 10.308 1.00 0.00 H new ATOM 0 HA THR A 47 10.132 -18.497 10.525 1.00 0.00 H new ATOM 0 HB THR A 47 8.872 -20.540 10.158 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.553 -19.577 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.969 -21.096 7.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.016 -19.878 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.074 -19.380 7.516 1.00 0.00 H new ATOM 740 N ASN A 48 9.400 -16.074 9.487 1.00 0.00 N ATOM 741 CA ASN A 48 9.546 -14.804 8.763 1.00 0.00 C ATOM 742 C ASN A 48 8.588 -14.636 7.569 1.00 0.00 C ATOM 743 O ASN A 48 8.722 -13.668 6.814 1.00 0.00 O ATOM 744 CB ASN A 48 11.005 -14.595 8.314 1.00 0.00 C ATOM 745 CG ASN A 48 12.028 -14.590 9.442 1.00 0.00 C ATOM 746 OD1 ASN A 48 11.790 -14.040 10.514 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.178 -15.199 9.221 1.00 0.00 N ATOM 0 H ASN A 48 9.247 -15.927 10.485 1.00 0.00 H new ATOM 0 HA ASN A 48 9.265 -14.031 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.269 -15.382 7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.073 -13.649 7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.892 -15.220 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.352 -15.649 8.322 1.00 0.00 H new ATOM 754 N LYS A 49 7.639 -15.563 7.375 1.00 0.00 N ATOM 755 CA LYS A 49 6.744 -15.643 6.224 1.00 0.00 C ATOM 756 C LYS A 49 5.900 -14.380 6.111 1.00 0.00 C ATOM 757 O LYS A 49 5.857 -13.558 7.019 1.00 0.00 O ATOM 758 CB LYS A 49 5.880 -16.921 6.333 1.00 0.00 C ATOM 759 CG LYS A 49 6.596 -18.114 5.678 1.00 0.00 C ATOM 760 CD LYS A 49 5.887 -19.464 5.899 1.00 0.00 C ATOM 761 CE LYS A 49 6.586 -20.543 5.056 1.00 0.00 C ATOM 762 NZ LYS A 49 5.964 -21.878 5.189 1.00 0.00 N ATOM 0 H LYS A 49 7.471 -16.309 8.050 1.00 0.00 H new ATOM 0 HA LYS A 49 7.329 -15.710 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.678 -17.142 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.917 -16.758 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.682 -17.931 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.610 -18.178 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.915 -19.735 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.837 -19.388 5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.569 -20.244 4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.633 -20.606 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.479 -22.561 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.003 -22.182 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.972 -21.831 4.880 1.00 0.00 H new ATOM 776 N SER A 50 5.211 -14.197 5.001 1.00 0.00 N ATOM 777 CA SER A 50 4.205 -13.168 4.862 1.00 0.00 C ATOM 778 C SER A 50 2.905 -13.675 5.477 1.00 0.00 C ATOM 779 O SER A 50 2.722 -14.879 5.680 1.00 0.00 O ATOM 780 CB SER A 50 4.109 -12.864 3.372 1.00 0.00 C ATOM 781 OG SER A 50 3.163 -11.863 3.057 1.00 0.00 O ATOM 0 H SER A 50 5.337 -14.765 4.164 1.00 0.00 H new ATOM 0 HA SER A 50 4.446 -12.243 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.089 -12.553 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.848 -13.779 2.840 1.00 0.00 H new ATOM 0 HG SER A 50 2.630 -12.148 2.286 1.00 0.00 H new ATOM 787 N ARG A 51 1.981 -12.752 5.748 1.00 0.00 N ATOM 788 CA ARG A 51 0.579 -13.037 6.020 1.00 0.00 C ATOM 789 C ARG A 51 -0.318 -12.471 4.910 1.00 0.00 C ATOM 790 O ARG A 51 -1.528 -12.329 5.103 1.00 0.00 O ATOM 791 CB ARG A 51 0.178 -12.518 7.404 1.00 0.00 C ATOM 792 CG ARG A 51 1.243 -12.719 8.490 1.00 0.00 C ATOM 793 CD ARG A 51 0.667 -12.993 9.877 1.00 0.00 C ATOM 794 NE ARG A 51 0.186 -11.802 10.594 1.00 0.00 N ATOM 795 CZ ARG A 51 -1.031 -11.253 10.525 1.00 0.00 C ATOM 796 NH1 ARG A 51 -1.909 -11.683 9.630 1.00 0.00 N ATOM 797 NH2 ARG A 51 -1.378 -10.261 11.330 1.00 0.00 N ATOM 0 H ARG A 51 2.199 -11.756 5.784 1.00 0.00 H new ATOM 0 HA ARG A 51 0.439 -14.118 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.049 -11.455 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.739 -13.019 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.887 -13.550 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.872 -11.830 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.158 -13.698 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.432 -13.480 10.482 1.00 0.00 H new ATOM 0 HE ARG A 51 0.855 -11.344 11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.657 -12.436 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.836 -11.261 9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.713 -9.904 12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.311 -9.853 11.264 1.00 0.00 H new ATOM 811 N GLY A 52 0.267 -12.092 3.770 1.00 0.00 N ATOM 812 CA GLY A 52 -0.453 -11.704 2.566 1.00 0.00 C ATOM 813 C GLY A 52 -0.840 -10.231 2.522 1.00 0.00 C ATOM 814 O GLY A 52 -1.521 -9.830 1.580 1.00 0.00 O ATOM 0 H GLY A 52 1.280 -12.047 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.164 -11.933 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.356 -12.309 2.484 1.00 0.00 H new ATOM 818 N PHE A 53 -0.428 -9.399 3.483 1.00 0.00 N ATOM 819 CA PHE A 53 -0.839 -8.010 3.569 1.00 0.00 C ATOM 820 C PHE A 53 0.380 -7.140 3.846 1.00 0.00 C ATOM 821 O PHE A 53 1.381 -7.590 4.416 1.00 0.00 O ATOM 822 CB PHE A 53 -1.977 -7.854 4.593 1.00 0.00 C ATOM 823 CG PHE A 53 -1.603 -7.774 6.063 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.940 -8.833 6.711 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.966 -6.633 6.801 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.603 -8.731 8.074 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.659 -6.547 8.166 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.965 -7.588 8.804 1.00 0.00 C ATOM 0 H PHE A 53 0.208 -9.683 4.228 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.253 -7.668 2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.534 -6.952 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.659 -8.695 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.689 -9.727 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.483 -5.820 6.314 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.066 -9.533 8.558 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.958 -5.676 8.730 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.711 -7.510 9.851 1.00 0.00 H new ATOM 838 N ALA A 54 0.311 -5.904 3.375 1.00 0.00 N ATOM 839 CA ALA A 54 1.389 -4.929 3.422 1.00 0.00 C ATOM 840 C ALA A 54 0.801 -3.527 3.429 1.00 0.00 C ATOM 841 O ALA A 54 -0.311 -3.311 2.939 1.00 0.00 O ATOM 842 CB ALA A 54 2.266 -5.076 2.173 1.00 0.00 C ATOM 0 H ALA A 54 -0.532 -5.539 2.932 1.00 0.00 H new ATOM 0 HA ALA A 54 1.982 -5.095 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.074 -4.345 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.687 -6.081 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.662 -4.906 1.282 1.00 0.00 H new ATOM 848 N PHE A 55 1.601 -2.568 3.882 1.00 0.00 N ATOM 849 CA PHE A 55 1.250 -1.166 3.848 1.00 0.00 C ATOM 850 C PHE A 55 2.384 -0.413 3.202 1.00 0.00 C ATOM 851 O PHE A 55 3.540 -0.840 3.211 1.00 0.00 O ATOM 852 CB PHE A 55 0.973 -0.721 5.290 1.00 0.00 C ATOM 853 CG PHE A 55 0.839 0.770 5.498 1.00 0.00 C ATOM 854 CD1 PHE A 55 1.986 1.550 5.742 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.427 1.379 5.459 1.00 0.00 C ATOM 856 CE1 PHE A 55 1.849 2.925 5.989 1.00 0.00 C ATOM 857 CE2 PHE A 55 -0.556 2.757 5.703 1.00 0.00 C ATOM 858 CZ PHE A 55 0.584 3.524 5.997 1.00 0.00 C ATOM 0 H PHE A 55 2.519 -2.751 4.286 1.00 0.00 H new ATOM 0 HA PHE A 55 0.354 -0.968 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.055 -1.201 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.779 -1.088 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.965 1.093 5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.303 0.786 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.727 3.526 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.529 3.225 5.665 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.484 4.574 6.229 1.00 0.00 H new ATOM 868 N VAL A 56 1.997 0.678 2.566 1.00 0.00 N ATOM 869 CA VAL A 56 2.791 1.491 1.718 1.00 0.00 C ATOM 870 C VAL A 56 2.298 2.914 1.937 1.00 0.00 C ATOM 871 O VAL A 56 1.106 3.131 2.202 1.00 0.00 O ATOM 872 CB VAL A 56 2.571 0.993 0.284 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.108 -0.422 0.032 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.203 1.157 -0.338 1.00 0.00 C ATOM 0 H VAL A 56 1.043 1.029 2.648 1.00 0.00 H new ATOM 0 HA VAL A 56 3.862 1.452 1.919 1.00 0.00 H new ATOM 0 HB VAL A 56 3.183 1.720 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.916 -0.705 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.181 -0.443 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.609 -1.125 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.214 0.756 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.466 0.619 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.942 2.215 -0.370 1.00 0.00 H new ATOM 884 N THR A 57 3.179 3.883 1.750 1.00 0.00 N ATOM 885 CA THR A 57 2.834 5.275 1.896 1.00 0.00 C ATOM 886 C THR A 57 3.279 5.990 0.640 1.00 0.00 C ATOM 887 O THR A 57 4.476 6.096 0.341 1.00 0.00 O ATOM 888 CB THR A 57 3.492 5.885 3.127 1.00 0.00 C ATOM 889 OG1 THR A 57 3.700 4.964 4.178 1.00 0.00 O ATOM 890 CG2 THR A 57 2.592 6.944 3.752 1.00 0.00 C ATOM 0 H THR A 57 4.152 3.720 1.493 1.00 0.00 H new ATOM 0 HA THR A 57 1.758 5.378 2.034 1.00 0.00 H new ATOM 0 HB THR A 57 4.440 6.272 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.845 4.559 4.432 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.082 7.366 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.403 7.735 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.647 6.489 4.048 1.00 0.00 H new ATOM 898 N PHE A 58 2.296 6.451 -0.124 1.00 0.00 N ATOM 899 CA PHE A 58 2.604 7.331 -1.218 1.00 0.00 C ATOM 900 C PHE A 58 3.038 8.692 -0.688 1.00 0.00 C ATOM 901 O PHE A 58 2.763 9.054 0.455 1.00 0.00 O ATOM 902 CB PHE A 58 1.384 7.462 -2.139 1.00 0.00 C ATOM 903 CG PHE A 58 1.505 6.824 -3.496 1.00 0.00 C ATOM 904 CD1 PHE A 58 1.886 5.477 -3.629 1.00 0.00 C ATOM 905 CD2 PHE A 58 1.156 7.576 -4.628 1.00 0.00 C ATOM 906 CE1 PHE A 58 1.988 4.908 -4.908 1.00 0.00 C ATOM 907 CE2 PHE A 58 1.224 6.990 -5.903 1.00 0.00 C ATOM 908 CZ PHE A 58 1.675 5.670 -6.043 1.00 0.00 C ATOM 0 H PHE A 58 1.307 6.231 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 58 3.428 6.914 -1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.523 7.027 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.171 8.522 -2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.099 4.884 -2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.836 8.602 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.308 3.882 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.929 7.556 -6.774 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.782 5.239 -7.027 1.00 0.00 H new ATOM 918 N GLU A 59 3.683 9.464 -1.554 1.00 0.00 N ATOM 919 CA GLU A 59 4.225 10.766 -1.205 1.00 0.00 C ATOM 920 C GLU A 59 3.124 11.841 -1.159 1.00 0.00 C ATOM 921 O GLU A 59 3.207 12.759 -0.341 1.00 0.00 O ATOM 922 CB GLU A 59 5.332 11.046 -2.225 1.00 0.00 C ATOM 923 CG GLU A 59 6.203 12.275 -1.946 1.00 0.00 C ATOM 924 CD GLU A 59 7.278 12.438 -3.030 1.00 0.00 C ATOM 925 OE1 GLU A 59 6.934 12.511 -4.227 1.00 0.00 O ATOM 926 OE2 GLU A 59 8.483 12.538 -2.700 1.00 0.00 O ATOM 0 H GLU A 59 3.845 9.199 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 59 4.644 10.783 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.979 10.171 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.873 11.165 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.579 13.168 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.677 12.177 -0.969 1.00 0.00 H new ATOM 933 N SER A 60 2.069 11.719 -1.981 1.00 0.00 N ATOM 934 CA SER A 60 0.981 12.693 -2.074 1.00 0.00 C ATOM 935 C SER A 60 -0.339 11.975 -2.410 1.00 0.00 C ATOM 936 O SER A 60 -0.329 10.971 -3.127 1.00 0.00 O ATOM 937 CB SER A 60 1.382 13.734 -3.129 1.00 0.00 C ATOM 938 OG SER A 60 0.584 14.897 -3.046 1.00 0.00 O ATOM 0 H SER A 60 1.951 10.924 -2.609 1.00 0.00 H new ATOM 0 HA SER A 60 0.815 13.204 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.430 14.002 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.288 13.299 -4.124 1.00 0.00 H new ATOM 0 HG SER A 60 0.868 15.538 -3.731 1.00 0.00 H new ATOM 944 N PRO A 61 -1.498 12.440 -1.900 1.00 0.00 N ATOM 945 CA PRO A 61 -2.729 11.652 -1.874 1.00 0.00 C ATOM 946 C PRO A 61 -3.484 11.600 -3.201 1.00 0.00 C ATOM 947 O PRO A 61 -4.320 10.709 -3.366 1.00 0.00 O ATOM 948 CB PRO A 61 -3.615 12.303 -0.814 1.00 0.00 C ATOM 949 CG PRO A 61 -3.177 13.764 -0.861 1.00 0.00 C ATOM 950 CD PRO A 61 -1.688 13.683 -1.168 1.00 0.00 C ATOM 0 HA PRO A 61 -2.470 10.615 -1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.674 12.190 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.456 11.864 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.715 14.319 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.364 14.269 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.364 14.539 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.099 13.690 -0.251 1.00 0.00 H new ATOM 958 N ALA A 62 -3.241 12.549 -4.112 1.00 0.00 N ATOM 959 CA ALA A 62 -3.888 12.582 -5.417 1.00 0.00 C ATOM 960 C ALA A 62 -3.280 11.511 -6.313 1.00 0.00 C ATOM 961 O ALA A 62 -3.991 10.693 -6.887 1.00 0.00 O ATOM 962 CB ALA A 62 -3.744 13.977 -6.031 1.00 0.00 C ATOM 0 H ALA A 62 -2.587 13.316 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.952 12.372 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.229 13.997 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.213 14.712 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.687 14.216 -6.147 1.00 0.00 H new ATOM 968 N ASP A 63 -1.952 11.455 -6.357 1.00 0.00 N ATOM 969 CA ASP A 63 -1.225 10.358 -6.985 1.00 0.00 C ATOM 970 C ASP A 63 -1.604 9.037 -6.305 1.00 0.00 C ATOM 971 O ASP A 63 -1.816 8.026 -6.976 1.00 0.00 O ATOM 972 CB ASP A 63 0.289 10.654 -6.931 1.00 0.00 C ATOM 973 CG ASP A 63 0.847 11.303 -8.208 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.055 11.556 -9.147 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.064 11.584 -8.262 1.00 0.00 O ATOM 0 H ASP A 63 -1.348 12.173 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.497 10.263 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.490 11.311 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.824 9.723 -6.746 1.00 0.00 H new ATOM 980 N ALA A 64 -1.833 9.059 -4.985 1.00 0.00 N ATOM 981 CA ALA A 64 -2.323 7.911 -4.227 1.00 0.00 C ATOM 982 C ALA A 64 -3.812 7.635 -4.465 1.00 0.00 C ATOM 983 O ALA A 64 -4.437 6.962 -3.643 1.00 0.00 O ATOM 984 CB ALA A 64 -2.078 8.076 -2.726 1.00 0.00 C ATOM 0 H ALA A 64 -1.680 9.888 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.754 7.057 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.457 7.201 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.009 8.177 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.594 8.967 -2.369 1.00 0.00 H new ATOM 990 N LYS A 65 -4.424 8.134 -5.536 1.00 0.00 N ATOM 991 CA LYS A 65 -5.704 7.630 -6.035 1.00 0.00 C ATOM 992 C LYS A 65 -5.477 6.689 -7.201 1.00 0.00 C ATOM 993 O LYS A 65 -6.161 5.668 -7.283 1.00 0.00 O ATOM 994 CB LYS A 65 -6.614 8.784 -6.485 1.00 0.00 C ATOM 995 CG LYS A 65 -6.838 9.797 -5.364 1.00 0.00 C ATOM 996 CD LYS A 65 -8.015 10.730 -5.641 1.00 0.00 C ATOM 997 CE LYS A 65 -7.998 11.862 -4.610 1.00 0.00 C ATOM 998 NZ LYS A 65 -9.233 12.665 -4.658 1.00 0.00 N ATOM 0 H LYS A 65 -4.045 8.904 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.192 7.095 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.168 9.285 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.574 8.384 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.013 9.265 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.933 10.390 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.945 11.137 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.955 10.180 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.876 11.442 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.138 12.507 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.183 13.421 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.337 13.086 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.052 12.055 -4.459 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.548 7.024 -8.094 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.358 6.306 -9.337 1.00 0.00 C ATOM 1014 C ASP A 66 -3.772 4.927 -9.080 1.00 0.00 C ATOM 1015 O ASP A 66 -4.118 3.979 -9.780 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.415 7.074 -10.256 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.187 7.872 -11.299 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.894 8.831 -10.926 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.036 7.578 -12.506 1.00 0.00 O ATOM 0 H ASP A 66 -3.906 7.807 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.334 6.203 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.796 7.748 -9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.741 6.377 -10.754 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.895 4.801 -8.080 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.228 3.544 -7.788 1.00 0.00 C ATOM 1026 C ALA A 67 -3.259 2.443 -7.544 1.00 0.00 C ATOM 1027 O ALA A 67 -3.194 1.386 -8.184 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.283 3.706 -6.598 1.00 0.00 C ATOM 0 H ALA A 67 -2.634 5.566 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.626 3.251 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.791 2.755 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.532 4.461 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.851 4.018 -5.722 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.232 2.687 -6.661 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.290 1.725 -6.420 1.00 0.00 C ATOM 1036 C ALA A 68 -6.125 1.533 -7.693 1.00 0.00 C ATOM 1037 O ALA A 68 -6.578 0.420 -7.961 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.194 2.156 -5.258 1.00 0.00 C ATOM 0 H ALA A 68 -4.301 3.541 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.824 0.779 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.974 1.410 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.600 2.247 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.651 3.118 -5.490 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.334 2.597 -8.482 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.255 2.599 -9.613 1.00 0.00 C ATOM 1046 C ARG A 69 -6.747 1.807 -10.808 1.00 0.00 C ATOM 1047 O ARG A 69 -7.563 1.510 -11.684 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.548 4.043 -10.038 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.627 4.739 -9.204 1.00 0.00 C ATOM 1050 CD ARG A 69 -10.000 4.155 -9.543 1.00 0.00 C ATOM 1051 NE ARG A 69 -11.110 5.025 -9.133 1.00 0.00 N ATOM 1052 CZ ARG A 69 -11.616 6.024 -9.862 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -10.979 6.484 -10.935 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.769 6.586 -9.500 1.00 0.00 N ATOM 0 H ARG A 69 -5.859 3.489 -8.345 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.166 2.105 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.627 4.622 -9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.855 4.046 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.419 4.610 -8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.618 5.811 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.060 3.981 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.107 3.185 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.528 4.853 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.088 6.073 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.381 7.247 -11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.260 6.253 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.160 7.349 -10.053 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.468 1.443 -10.881 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.019 0.467 -11.876 1.00 0.00 C ATOM 1070 C ASP A 70 -4.859 -0.908 -11.225 1.00 0.00 C ATOM 1071 O ASP A 70 -5.242 -1.919 -11.807 1.00 0.00 O ATOM 1072 CB ASP A 70 -3.732 0.927 -12.584 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.472 0.153 -13.889 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.081 -0.917 -14.102 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.709 0.631 -14.757 1.00 0.00 O ATOM 0 H ASP A 70 -4.732 1.802 -10.273 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.781 0.387 -12.651 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.803 1.992 -12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.884 0.796 -11.912 1.00 0.00 H new ATOM 1080 N MET A 71 -4.295 -0.982 -10.016 1.00 0.00 N ATOM 1081 CA MET A 71 -3.655 -2.214 -9.548 1.00 0.00 C ATOM 1082 C MET A 71 -4.455 -3.053 -8.551 1.00 0.00 C ATOM 1083 O MET A 71 -3.982 -4.121 -8.166 1.00 0.00 O ATOM 1084 CB MET A 71 -2.243 -1.887 -9.051 1.00 0.00 C ATOM 1085 CG MET A 71 -1.307 -1.673 -10.249 1.00 0.00 C ATOM 1086 SD MET A 71 0.416 -2.193 -10.017 1.00 0.00 S ATOM 1087 CE MET A 71 0.161 -3.902 -9.472 1.00 0.00 C ATOM 0 H MET A 71 -4.268 -0.211 -9.349 1.00 0.00 H new ATOM 0 HA MET A 71 -3.604 -2.878 -10.411 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.264 -0.992 -8.430 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.870 -2.699 -8.427 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.716 -2.211 -11.104 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.314 -0.614 -10.505 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.016 -4.510 -9.767 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.056 -3.926 -8.387 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.743 -4.300 -9.933 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.663 -2.650 -8.159 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.554 -3.551 -7.431 1.00 0.00 C ATOM 1099 C ASN A 72 -6.965 -4.743 -8.314 1.00 0.00 C ATOM 1100 O ASN A 72 -6.946 -4.660 -9.544 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.786 -2.784 -6.928 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.770 -2.501 -8.051 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.683 -3.282 -8.288 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -8.609 -1.390 -8.739 1.00 0.00 N ATOM 0 H ASN A 72 -6.043 -1.719 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.021 -3.947 -6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.281 -3.362 -6.148 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.470 -1.844 -6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.255 -1.159 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.838 -0.760 -8.517 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.352 -5.859 -7.688 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.014 -7.002 -8.316 1.00 0.00 C ATOM 1113 C GLY A 73 -7.088 -7.936 -9.100 1.00 0.00 C ATOM 1114 O GLY A 73 -7.309 -9.152 -9.136 1.00 0.00 O ATOM 0 H GLY A 73 -7.205 -5.994 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.518 -7.581 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.786 -6.630 -8.990 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.076 -7.394 -9.780 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.224 -8.175 -10.667 1.00 0.00 C ATOM 1120 C LYS A 74 -4.254 -9.046 -9.884 1.00 0.00 C ATOM 1121 O LYS A 74 -4.106 -8.926 -8.671 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.526 -7.257 -11.674 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.470 -6.309 -11.089 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.886 -5.408 -12.188 1.00 0.00 C ATOM 1125 CE LYS A 74 -3.957 -4.445 -12.713 1.00 0.00 C ATOM 1126 NZ LYS A 74 -3.432 -3.485 -13.700 1.00 0.00 N ATOM 0 H LYS A 74 -5.828 -6.406 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.847 -8.864 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.050 -7.877 -12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.284 -6.659 -12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.917 -5.695 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.672 -6.887 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.041 -4.843 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.506 -6.020 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.764 -5.020 -13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.388 -3.897 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.007 -2.619 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.446 -3.251 -13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.472 -3.907 -14.650 1.00 0.00 H new ATOM 1140 N SER A 75 -3.588 -9.933 -10.599 1.00 0.00 N ATOM 1141 CA SER A 75 -2.530 -10.770 -10.078 1.00 0.00 C ATOM 1142 C SER A 75 -1.197 -10.144 -10.480 1.00 0.00 C ATOM 1143 O SER A 75 -1.144 -9.344 -11.421 1.00 0.00 O ATOM 1144 CB SER A 75 -2.747 -12.152 -10.683 1.00 0.00 C ATOM 1145 OG SER A 75 -3.998 -12.698 -10.287 1.00 0.00 O ATOM 0 H SER A 75 -3.776 -10.094 -11.589 1.00 0.00 H new ATOM 0 HA SER A 75 -2.529 -10.857 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.704 -12.086 -11.770 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.942 -12.818 -10.372 1.00 0.00 H new ATOM 0 HG SER A 75 -3.934 -13.029 -9.367 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.114 -10.449 -9.767 1.00 0.00 N ATOM 1152 CA LEU A 76 1.194 -9.851 -10.081 1.00 0.00 C ATOM 1153 C LEU A 76 2.365 -10.786 -9.767 1.00 0.00 C ATOM 1154 O LEU A 76 3.519 -10.365 -9.624 1.00 0.00 O ATOM 1155 CB LEU A 76 1.317 -8.526 -9.312 1.00 0.00 C ATOM 1156 CG LEU A 76 2.241 -7.535 -10.045 1.00 0.00 C ATOM 1157 CD1 LEU A 76 1.494 -6.826 -11.186 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.787 -6.530 -9.034 1.00 0.00 C ATOM 0 H LEU A 76 -0.109 -11.096 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 76 1.245 -9.670 -11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.329 -8.082 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.707 -8.718 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 76 3.071 -8.078 -10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.169 -6.132 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.137 -7.566 -11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.645 -6.276 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.443 -5.823 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.959 -5.991 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.349 -7.058 -8.264 1.00 0.00 H new ATOM 1170 N ASP A 77 2.046 -12.055 -9.561 1.00 0.00 N ATOM 1171 CA ASP A 77 2.736 -12.908 -8.602 1.00 0.00 C ATOM 1172 C ASP A 77 2.162 -14.317 -8.548 1.00 0.00 C ATOM 1173 O ASP A 77 2.865 -15.245 -8.138 1.00 0.00 O ATOM 1174 CB ASP A 77 2.729 -12.276 -7.193 1.00 0.00 C ATOM 1175 CG ASP A 77 1.355 -11.945 -6.603 1.00 0.00 C ATOM 1176 OD1 ASP A 77 0.337 -12.159 -7.308 1.00 0.00 O ATOM 1177 OD2 ASP A 77 1.331 -11.463 -5.451 1.00 0.00 O ATOM 0 H ASP A 77 1.292 -12.528 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 77 3.765 -12.991 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.239 -12.956 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.316 -11.358 -7.227 1.00 0.00 H new ATOM 1182 N GLY A 78 0.943 -14.523 -9.039 1.00 0.00 N ATOM 1183 CA GLY A 78 0.247 -15.795 -8.973 1.00 0.00 C ATOM 1184 C GLY A 78 -0.739 -15.844 -7.815 1.00 0.00 C ATOM 1185 O GLY A 78 -1.409 -16.863 -7.643 1.00 0.00 O ATOM 0 H GLY A 78 0.404 -13.792 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.284 -15.967 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.973 -16.601 -8.866 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.809 -14.791 -6.997 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.949 -14.521 -6.137 1.00 0.00 C ATOM 1191 C LYS A 79 -2.724 -13.416 -6.841 1.00 0.00 C ATOM 1192 O LYS A 79 -2.399 -13.071 -7.974 1.00 0.00 O ATOM 1193 CB LYS A 79 -1.493 -14.145 -4.712 1.00 0.00 C ATOM 1194 CG LYS A 79 -0.437 -15.085 -4.097 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.645 -16.571 -4.401 1.00 0.00 C ATOM 1196 CE LYS A 79 0.012 -17.502 -3.373 1.00 0.00 C ATOM 1197 NZ LYS A 79 0.460 -18.770 -3.995 1.00 0.00 N ATOM 0 H LYS A 79 -0.065 -14.098 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.585 -15.394 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.089 -13.133 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.366 -14.128 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.547 -14.789 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.434 -14.947 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.714 -16.780 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.242 -16.792 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.864 -16.998 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.695 -17.719 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.899 -19.375 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.358 -19.262 -4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.154 -18.564 -4.742 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.762 -12.877 -6.218 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.530 -11.768 -6.779 1.00 0.00 C ATOM 1213 C ALA A 80 -4.578 -10.671 -5.717 1.00 0.00 C ATOM 1214 O ALA A 80 -5.266 -10.817 -4.704 1.00 0.00 O ATOM 1215 CB ALA A 80 -5.934 -12.235 -7.167 1.00 0.00 C ATOM 0 H ALA A 80 -4.098 -13.194 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.064 -11.387 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.494 -11.398 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.861 -13.028 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.449 -12.612 -6.284 1.00 0.00 H new ATOM 1221 N ILE A 81 -3.808 -9.603 -5.903 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.632 -8.590 -4.875 1.00 0.00 C ATOM 1223 C ILE A 81 -4.943 -7.827 -4.653 1.00 0.00 C ATOM 1224 O ILE A 81 -5.651 -7.470 -5.597 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.408 -7.694 -5.180 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.610 -6.743 -6.379 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.160 -8.579 -5.392 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.451 -5.754 -6.559 1.00 0.00 C ATOM 0 H ILE A 81 -3.294 -9.419 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.400 -9.067 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.270 -7.047 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.722 -7.333 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.538 -6.187 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.298 -7.947 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.968 -9.160 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.332 -9.255 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.650 -5.112 -7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.353 -5.141 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.525 -6.305 -6.725 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.273 -7.570 -3.387 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.334 -6.647 -2.991 1.00 0.00 C ATOM 1242 C LYS A 82 -5.629 -5.342 -2.674 1.00 0.00 C ATOM 1243 O LYS A 82 -4.680 -5.383 -1.890 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.053 -7.147 -1.725 1.00 0.00 C ATOM 1245 CG LYS A 82 -7.746 -8.511 -1.867 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.148 -8.376 -2.459 1.00 0.00 C ATOM 1247 CE LYS A 82 -9.717 -9.775 -2.711 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.058 -9.717 -3.317 1.00 0.00 N ATOM 0 H LYS A 82 -4.801 -8.006 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.082 -6.548 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.328 -7.208 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.798 -6.407 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.144 -9.160 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.809 -8.990 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.794 -7.824 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.111 -7.811 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.045 -10.328 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.766 -10.323 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.411 -10.683 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.705 -9.211 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.006 -9.216 -4.227 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.054 -4.223 -3.249 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.449 -2.915 -3.033 1.00 0.00 C ATOM 1264 C VAL A 83 -6.602 -1.994 -2.685 1.00 0.00 C ATOM 1265 O VAL A 83 -7.610 -2.000 -3.391 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.691 -2.439 -4.291 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.052 -1.064 -4.054 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.601 -3.433 -4.726 1.00 0.00 C ATOM 0 H VAL A 83 -6.846 -4.200 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.705 -2.935 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.429 -2.371 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.523 -0.749 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.829 -0.338 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.349 -1.128 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.096 -3.054 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.876 -3.554 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.057 -4.397 -4.951 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.478 -1.245 -1.593 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.554 -0.438 -1.061 1.00 0.00 C ATOM 1280 C GLU A 84 -7.023 0.883 -0.537 1.00 0.00 C ATOM 1281 O GLU A 84 -5.854 1.040 -0.175 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.255 -1.209 0.071 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.018 -2.452 -0.409 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.155 -2.130 -1.388 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.538 -0.943 -1.531 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -10.697 -3.084 -1.983 1.00 0.00 O ATOM 0 H GLU A 84 -5.615 -1.186 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.267 -0.228 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.511 -1.512 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.950 -0.540 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.318 -3.136 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.430 -2.973 0.456 1.00 0.00 H new ATOM 1293 N GLN A 85 -7.934 1.844 -0.452 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.652 3.153 0.078 1.00 0.00 C ATOM 1295 C GLN A 85 -7.871 3.089 1.584 1.00 0.00 C ATOM 1296 O GLN A 85 -8.919 2.645 2.063 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.578 4.174 -0.592 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.360 4.286 -2.111 1.00 0.00 C ATOM 1299 CD GLN A 85 -7.003 4.902 -2.421 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -5.991 4.220 -2.460 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -6.913 6.209 -2.556 1.00 0.00 N ATOM 0 H GLN A 85 -8.900 1.725 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.626 3.463 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.614 3.896 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.421 5.151 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.428 3.298 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.149 4.895 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.755 6.784 -2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.002 6.646 -2.692 1.00 0.00 H new ATOM 1310 N ALA A 86 -6.888 3.538 2.356 1.00 0.00 N ATOM 1311 CA ALA A 86 -6.985 3.620 3.813 1.00 0.00 C ATOM 1312 C ALA A 86 -7.621 4.957 4.254 1.00 0.00 C ATOM 1313 O ALA A 86 -7.392 5.398 5.389 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.611 3.346 4.442 1.00 0.00 C ATOM 0 H ALA A 86 -5.993 3.859 1.987 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.658 2.846 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.689 3.408 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.274 2.349 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.894 4.086 4.087 1.00 0.00 H new ATOM 1320 N THR A 87 -8.380 5.618 3.371 1.00 0.00 N ATOM 1321 CA THR A 87 -8.979 6.935 3.574 1.00 0.00 C ATOM 1322 C THR A 87 -10.463 6.829 3.921 1.00 0.00 C ATOM 1323 O THR A 87 -11.087 5.775 3.790 1.00 0.00 O ATOM 1324 CB THR A 87 -8.775 7.791 2.314 1.00 0.00 C ATOM 1325 OG1 THR A 87 -8.920 9.157 2.628 1.00 0.00 O ATOM 1326 CG2 THR A 87 -9.725 7.433 1.162 1.00 0.00 C ATOM 0 H THR A 87 -8.601 5.228 2.455 1.00 0.00 H new ATOM 0 HA THR A 87 -8.484 7.413 4.419 1.00 0.00 H new ATOM 0 HB THR A 87 -7.763 7.579 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.787 9.694 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.521 8.079 0.308 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.572 6.393 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.757 7.573 1.484 1.00 0.00 H new