USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 9:sc= 0.638 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -62:sc= 1.06 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 37 CYS SG : rot 75:sc= 0.298 USER MOD Single : A 38 TYR OH : rot -15:sc= -0.299 USER MOD Single : A 39 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.0041) USER MOD Single : A 44 MET CE :methyl 179:sc= -1.2 (180deg=-1.21) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 99:sc= 0.132 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.0764 (180deg=-0.482) USER MOD Single : A 66 SER OG : rot -92:sc= 0.724 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -177:sc= 0 (180deg=-0.00378) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N SER A 12 -11.106 18.438 -1.271 1.00 0.00 N ATOM 119 CA SER A 12 -10.317 17.645 -0.344 1.00 0.00 C ATOM 120 C SER A 12 -11.207 16.610 0.348 1.00 0.00 C ATOM 121 O SER A 12 -10.756 15.509 0.660 1.00 0.00 O ATOM 122 CB SER A 12 -9.631 18.534 0.696 1.00 0.00 C ATOM 123 OG SER A 12 -9.565 19.894 0.275 1.00 0.00 O ATOM 0 HA SER A 12 -9.542 17.129 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.173 18.472 1.640 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.623 18.163 0.882 1.00 0.00 H new ATOM 0 HG SER A 12 -10.105 20.013 -0.534 1.00 0.00 H new ATOM 129 N THR A 13 -12.454 17.001 0.567 1.00 0.00 N ATOM 130 CA THR A 13 -13.410 16.120 1.216 1.00 0.00 C ATOM 131 C THR A 13 -13.303 14.704 0.646 1.00 0.00 C ATOM 132 O THR A 13 -13.080 13.748 1.388 1.00 0.00 O ATOM 133 CB THR A 13 -14.802 16.735 1.057 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.818 17.806 1.997 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.914 15.801 1.538 1.00 0.00 C ATOM 0 H THR A 13 -12.824 17.915 0.307 1.00 0.00 H new ATOM 0 HA THR A 13 -13.200 16.024 2.281 1.00 0.00 H new ATOM 0 HB THR A 13 -14.969 16.988 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.685 18.261 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.881 16.286 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.888 14.877 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.767 15.574 2.594 1.00 0.00 H new ATOM 143 N ALA A 14 -13.467 14.614 -0.665 1.00 0.00 N ATOM 144 CA ALA A 14 -13.392 13.331 -1.343 1.00 0.00 C ATOM 145 C ALA A 14 -12.233 12.519 -0.761 1.00 0.00 C ATOM 146 O ALA A 14 -12.357 11.313 -0.556 1.00 0.00 O ATOM 147 CB ALA A 14 -13.247 13.556 -2.849 1.00 0.00 C ATOM 0 H ALA A 14 -13.652 15.409 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.307 12.760 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.191 12.593 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.109 14.111 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.338 14.124 -3.046 1.00 0.00 H new ATOM 153 N ALA A 15 -11.133 13.214 -0.511 1.00 0.00 N ATOM 154 CA ALA A 15 -9.953 12.572 0.044 1.00 0.00 C ATOM 155 C ALA A 15 -10.271 12.056 1.449 1.00 0.00 C ATOM 156 O ALA A 15 -9.976 10.907 1.774 1.00 0.00 O ATOM 157 CB ALA A 15 -8.784 13.559 0.036 1.00 0.00 C ATOM 0 H ALA A 15 -11.034 14.215 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.661 11.715 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.899 13.078 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.579 13.872 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.040 14.431 0.638 1.00 0.00 H new ATOM 163 N VAL A 16 -10.868 12.931 2.245 1.00 0.00 N ATOM 164 CA VAL A 16 -11.229 12.579 3.607 1.00 0.00 C ATOM 165 C VAL A 16 -12.084 11.309 3.592 1.00 0.00 C ATOM 166 O VAL A 16 -11.926 10.441 4.448 1.00 0.00 O ATOM 167 CB VAL A 16 -11.926 13.760 4.286 1.00 0.00 C ATOM 168 CG1 VAL A 16 -12.197 13.462 5.762 1.00 0.00 C ATOM 169 CG2 VAL A 16 -11.109 15.043 4.127 1.00 0.00 C ATOM 0 H VAL A 16 -11.111 13.883 1.972 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.337 12.364 4.195 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.886 13.911 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.693 14.317 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.838 12.584 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.254 13.272 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.626 15.867 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.128 14.908 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.990 15.270 3.067 1.00 0.00 H new ATOM 179 N ALA A 17 -12.969 11.242 2.608 1.00 0.00 N ATOM 180 CA ALA A 17 -13.848 10.094 2.470 1.00 0.00 C ATOM 181 C ALA A 17 -13.047 8.905 1.935 1.00 0.00 C ATOM 182 O ALA A 17 -12.969 7.862 2.583 1.00 0.00 O ATOM 183 CB ALA A 17 -15.026 10.458 1.564 1.00 0.00 C ATOM 0 H ALA A 17 -13.096 11.964 1.899 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.258 9.807 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.685 9.596 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.580 11.288 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.653 10.749 0.582 1.00 0.00 H new ATOM 189 N VAL A 18 -12.471 9.102 0.758 1.00 0.00 N ATOM 190 CA VAL A 18 -11.679 8.059 0.129 1.00 0.00 C ATOM 191 C VAL A 18 -10.670 7.511 1.141 1.00 0.00 C ATOM 192 O VAL A 18 -10.384 6.315 1.152 1.00 0.00 O ATOM 193 CB VAL A 18 -11.019 8.598 -1.141 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.589 9.065 -0.861 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.045 7.553 -2.259 1.00 0.00 C ATOM 0 H VAL A 18 -12.537 9.968 0.224 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.315 7.229 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.594 9.461 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.143 9.443 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.605 9.857 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.999 8.227 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.570 7.962 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.506 6.662 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.078 7.290 -2.487 1.00 0.00 H new ATOM 205 N LEU A 19 -10.158 8.413 1.966 1.00 0.00 N ATOM 206 CA LEU A 19 -9.187 8.035 2.978 1.00 0.00 C ATOM 207 C LEU A 19 -9.882 7.208 4.062 1.00 0.00 C ATOM 208 O LEU A 19 -9.353 6.190 4.506 1.00 0.00 O ATOM 209 CB LEU A 19 -8.465 9.271 3.517 1.00 0.00 C ATOM 210 CG LEU A 19 -7.407 9.884 2.598 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.757 11.107 3.248 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.371 8.838 2.181 1.00 0.00 C ATOM 0 H LEU A 19 -10.398 9.404 1.954 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.411 7.405 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.210 10.034 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.988 9.006 4.461 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.902 10.228 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.009 11.523 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.519 11.859 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.279 10.812 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.630 9.300 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.876 8.442 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.867 8.026 1.650 1.00 0.00 H new ATOM 224 N LYS A 20 -11.057 7.676 4.456 1.00 0.00 N ATOM 225 CA LYS A 20 -11.830 6.992 5.478 1.00 0.00 C ATOM 226 C LYS A 20 -12.121 5.561 5.021 1.00 0.00 C ATOM 227 O LYS A 20 -11.876 4.608 5.760 1.00 0.00 O ATOM 228 CB LYS A 20 -13.087 7.793 5.825 1.00 0.00 C ATOM 229 CG LYS A 20 -13.273 7.892 7.341 1.00 0.00 C ATOM 230 CD LYS A 20 -12.906 9.287 7.849 1.00 0.00 C ATOM 231 CE LYS A 20 -12.931 9.338 9.378 1.00 0.00 C ATOM 232 NZ LYS A 20 -11.744 10.057 9.893 1.00 0.00 N ATOM 0 H LYS A 20 -11.492 8.521 4.086 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.258 6.922 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.015 8.793 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.960 7.318 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.308 7.668 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.652 7.146 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.914 9.560 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.604 10.020 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.840 9.836 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.953 8.326 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.777 10.082 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.880 9.566 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.739 11.029 9.523 1.00 0.00 H new ATOM 246 N ARG A 21 -12.638 5.456 3.806 1.00 0.00 N ATOM 247 CA ARG A 21 -12.964 4.157 3.242 1.00 0.00 C ATOM 248 C ARG A 21 -11.720 3.267 3.206 1.00 0.00 C ATOM 249 O ARG A 21 -11.746 2.137 3.691 1.00 0.00 O ATOM 250 CB ARG A 21 -13.523 4.297 1.825 1.00 0.00 C ATOM 251 CG ARG A 21 -15.034 4.538 1.853 1.00 0.00 C ATOM 252 CD ARG A 21 -15.784 3.268 2.258 1.00 0.00 C ATOM 253 NE ARG A 21 -17.205 3.584 2.529 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.192 2.679 2.509 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.921 1.397 2.231 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.452 3.056 2.768 1.00 0.00 N ATOM 0 H ARG A 21 -12.839 6.249 3.196 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.723 3.701 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.029 5.124 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.306 3.395 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.265 5.340 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.372 4.866 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.713 2.525 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.324 2.831 3.145 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.447 4.551 2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.962 1.109 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.673 0.708 2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.659 4.032 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.204 2.367 2.753 1.00 0.00 H new ATOM 270 N ALA A 22 -10.659 3.809 2.626 1.00 0.00 N ATOM 271 CA ALA A 22 -9.408 3.078 2.520 1.00 0.00 C ATOM 272 C ALA A 22 -9.106 2.397 3.856 1.00 0.00 C ATOM 273 O ALA A 22 -8.987 1.174 3.920 1.00 0.00 O ATOM 274 CB ALA A 22 -8.294 4.033 2.087 1.00 0.00 C ATOM 0 H ALA A 22 -10.640 4.746 2.224 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.482 2.298 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.355 3.485 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.543 4.468 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.189 4.828 2.826 1.00 0.00 H new ATOM 280 N VAL A 23 -8.991 3.217 4.890 1.00 0.00 N ATOM 281 CA VAL A 23 -8.705 2.709 6.221 1.00 0.00 C ATOM 282 C VAL A 23 -9.531 1.445 6.468 1.00 0.00 C ATOM 283 O VAL A 23 -8.986 0.402 6.824 1.00 0.00 O ATOM 284 CB VAL A 23 -8.956 3.801 7.263 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.264 3.191 8.632 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.770 4.764 7.345 1.00 0.00 C ATOM 0 H VAL A 23 -9.091 4.231 4.833 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.654 2.432 6.307 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.829 4.372 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.438 3.988 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.154 2.566 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.419 2.584 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.974 5.530 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.873 4.213 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.617 5.236 6.375 1.00 0.00 H new ATOM 296 N GLU A 24 -10.834 1.580 6.268 1.00 0.00 N ATOM 297 CA GLU A 24 -11.741 0.462 6.464 1.00 0.00 C ATOM 298 C GLU A 24 -11.257 -0.758 5.679 1.00 0.00 C ATOM 299 O GLU A 24 -10.995 -1.811 6.259 1.00 0.00 O ATOM 300 CB GLU A 24 -13.170 0.839 6.067 1.00 0.00 C ATOM 301 CG GLU A 24 -13.698 1.982 6.936 1.00 0.00 C ATOM 302 CD GLU A 24 -13.831 1.544 8.396 1.00 0.00 C ATOM 303 OE1 GLU A 24 -14.378 0.440 8.610 1.00 0.00 O ATOM 304 OE2 GLU A 24 -13.384 2.322 9.266 1.00 0.00 O ATOM 0 H GLU A 24 -11.283 2.447 5.972 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.749 0.207 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.194 1.134 5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.820 -0.030 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.024 2.836 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.667 2.311 6.561 1.00 0.00 H new ATOM 311 N LEU A 25 -11.153 -0.577 4.371 1.00 0.00 N ATOM 312 CA LEU A 25 -10.705 -1.650 3.500 1.00 0.00 C ATOM 313 C LEU A 25 -9.414 -2.250 4.060 1.00 0.00 C ATOM 314 O LEU A 25 -9.233 -3.467 4.045 1.00 0.00 O ATOM 315 CB LEU A 25 -10.577 -1.153 2.058 1.00 0.00 C ATOM 316 CG LEU A 25 -11.886 -0.780 1.359 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.622 0.098 0.134 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.694 -2.030 1.005 1.00 0.00 C ATOM 0 H LEU A 25 -11.371 0.297 3.893 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.444 -2.451 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.923 -0.281 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.082 -1.926 1.471 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.489 -0.193 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.569 0.349 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.118 1.014 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.991 -0.442 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.619 -1.737 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.110 -2.664 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.929 -2.581 1.915 1.00 0.00 H new ATOM 330 N ASP A 26 -8.549 -1.369 4.540 1.00 0.00 N ATOM 331 CA ASP A 26 -7.280 -1.797 5.104 1.00 0.00 C ATOM 332 C ASP A 26 -7.541 -2.697 6.313 1.00 0.00 C ATOM 333 O ASP A 26 -6.827 -3.674 6.530 1.00 0.00 O ATOM 334 CB ASP A 26 -6.455 -0.598 5.577 1.00 0.00 C ATOM 335 CG ASP A 26 -4.985 -0.618 5.155 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.734 -0.990 3.988 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.145 -0.260 6.009 1.00 0.00 O ATOM 0 H ASP A 26 -8.702 -0.361 4.550 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.730 -2.331 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.915 0.314 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.505 -0.548 6.665 1.00 0.00 H new ATOM 342 N ALA A 27 -8.568 -2.335 7.069 1.00 0.00 N ATOM 343 CA ALA A 27 -8.932 -3.098 8.251 1.00 0.00 C ATOM 344 C ALA A 27 -9.691 -4.357 7.826 1.00 0.00 C ATOM 345 O ALA A 27 -9.698 -5.354 8.546 1.00 0.00 O ATOM 346 CB ALA A 27 -9.750 -2.215 9.196 1.00 0.00 C ATOM 0 H ALA A 27 -9.159 -1.524 6.886 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.041 -3.417 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.023 -2.787 10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.156 -1.350 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.654 -1.879 8.688 1.00 0.00 H new ATOM 352 N GLU A 28 -10.311 -4.270 6.658 1.00 0.00 N ATOM 353 CA GLU A 28 -11.070 -5.390 6.129 1.00 0.00 C ATOM 354 C GLU A 28 -10.145 -6.353 5.383 1.00 0.00 C ATOM 355 O GLU A 28 -10.598 -7.362 4.844 1.00 0.00 O ATOM 356 CB GLU A 28 -12.203 -4.904 5.222 1.00 0.00 C ATOM 357 CG GLU A 28 -13.211 -4.062 6.007 1.00 0.00 C ATOM 358 CD GLU A 28 -14.469 -4.870 6.328 1.00 0.00 C ATOM 359 OE1 GLU A 28 -15.397 -4.832 5.491 1.00 0.00 O ATOM 360 OE2 GLU A 28 -14.475 -5.509 7.402 1.00 0.00 O ATOM 0 H GLU A 28 -10.303 -3.441 6.063 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.521 -5.925 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.791 -4.314 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.709 -5.760 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.754 -3.711 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.480 -3.178 5.429 1.00 0.00 H new ATOM 367 N SER A 29 -8.866 -6.008 5.375 1.00 0.00 N ATOM 368 CA SER A 29 -7.873 -6.830 4.704 1.00 0.00 C ATOM 369 C SER A 29 -7.927 -6.586 3.194 1.00 0.00 C ATOM 370 O SER A 29 -7.171 -7.194 2.437 1.00 0.00 O ATOM 371 CB SER A 29 -8.088 -8.313 5.010 1.00 0.00 C ATOM 372 OG SER A 29 -8.957 -8.933 4.065 1.00 0.00 O ATOM 0 H SER A 29 -8.494 -5.170 5.823 1.00 0.00 H new ATOM 0 HA SER A 29 -6.888 -6.550 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.126 -8.826 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.506 -8.420 6.011 1.00 0.00 H new ATOM 0 HG SER A 29 -9.842 -8.514 4.110 1.00 0.00 H new ATOM 378 N ARG A 30 -8.826 -5.696 2.802 1.00 0.00 N ATOM 379 CA ARG A 30 -8.988 -5.365 1.396 1.00 0.00 C ATOM 380 C ARG A 30 -7.981 -4.289 0.986 1.00 0.00 C ATOM 381 O ARG A 30 -8.362 -3.155 0.697 1.00 0.00 O ATOM 382 CB ARG A 30 -10.405 -4.865 1.108 1.00 0.00 C ATOM 383 CG ARG A 30 -11.452 -5.837 1.656 1.00 0.00 C ATOM 384 CD ARG A 30 -12.868 -5.345 1.352 1.00 0.00 C ATOM 385 NE ARG A 30 -13.604 -6.370 0.578 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.042 -7.528 1.090 1.00 0.00 C ATOM 387 NH1 ARG A 30 -13.820 -7.816 2.380 1.00 0.00 N ATOM 388 NH2 ARG A 30 -14.701 -8.398 0.313 1.00 0.00 N ATOM 0 H ARG A 30 -9.450 -5.194 3.433 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.811 -6.272 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.546 -3.882 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.541 -4.747 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.303 -6.823 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.324 -5.946 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.395 -5.131 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.825 -4.413 0.788 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.789 -6.183 -0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.318 -7.154 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.153 -8.697 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.869 -8.179 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.034 -9.279 0.703 1.00 0.00 H new ATOM 402 N TYR A 31 -6.716 -4.682 0.972 1.00 0.00 N ATOM 403 CA TYR A 31 -5.651 -3.765 0.601 1.00 0.00 C ATOM 404 C TYR A 31 -5.770 -3.352 -0.867 1.00 0.00 C ATOM 405 O TYR A 31 -5.511 -2.201 -1.215 1.00 0.00 O ATOM 406 CB TYR A 31 -4.344 -4.535 0.798 1.00 0.00 C ATOM 407 CG TYR A 31 -4.070 -4.936 2.249 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.171 -3.997 3.255 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.723 -6.237 2.551 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.914 -4.375 4.621 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.466 -6.615 3.917 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.574 -5.665 4.884 1.00 0.00 C ATOM 413 OH TYR A 31 -3.331 -6.022 6.174 1.00 0.00 O ATOM 0 H TYR A 31 -6.404 -5.623 1.212 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.697 -2.859 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.367 -5.434 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.516 -3.924 0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.443 -2.979 3.018 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.644 -6.972 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.990 -3.650 5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.194 -7.630 4.167 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.100 -6.974 6.212 1.00 0.00 H new ATOM 423 N GLN A 32 -6.162 -4.314 -1.689 1.00 0.00 N ATOM 424 CA GLN A 32 -6.318 -4.065 -3.112 1.00 0.00 C ATOM 425 C GLN A 32 -7.300 -2.915 -3.345 1.00 0.00 C ATOM 426 O GLN A 32 -7.298 -2.298 -4.409 1.00 0.00 O ATOM 427 CB GLN A 32 -6.771 -5.330 -3.844 1.00 0.00 C ATOM 428 CG GLN A 32 -5.823 -5.665 -4.998 1.00 0.00 C ATOM 429 CD GLN A 32 -6.251 -4.954 -6.283 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.916 -5.513 -7.140 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.834 -3.694 -6.368 1.00 0.00 N ATOM 0 H GLN A 32 -6.376 -5.267 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.349 -3.777 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.808 -6.165 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.782 -5.190 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.807 -5.370 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.810 -6.743 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.280 -3.288 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.068 -3.134 -7.188 1.00 0.00 H new ATOM 440 N GLN A 33 -8.116 -2.662 -2.333 1.00 0.00 N ATOM 441 CA GLN A 33 -9.101 -1.597 -2.414 1.00 0.00 C ATOM 442 C GLN A 33 -8.654 -0.395 -1.580 1.00 0.00 C ATOM 443 O GLN A 33 -8.882 0.751 -1.965 1.00 0.00 O ATOM 444 CB GLN A 33 -10.479 -2.090 -1.968 1.00 0.00 C ATOM 445 CG GLN A 33 -10.955 -3.253 -2.842 1.00 0.00 C ATOM 446 CD GLN A 33 -12.483 -3.300 -2.909 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.127 -4.182 -2.366 1.00 0.00 O ATOM 448 NE2 GLN A 33 -13.024 -2.304 -3.604 1.00 0.00 N ATOM 0 H GLN A 33 -8.115 -3.176 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.182 -1.283 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.436 -2.407 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.197 -1.272 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.547 -3.148 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.576 -4.193 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.426 -1.598 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.037 -2.246 -3.708 1.00 0.00 H new ATOM 457 N ALA A 34 -8.023 -0.697 -0.455 1.00 0.00 N ATOM 458 CA ALA A 34 -7.541 0.345 0.436 1.00 0.00 C ATOM 459 C ALA A 34 -6.376 1.080 -0.229 1.00 0.00 C ATOM 460 O ALA A 34 -6.078 2.222 0.118 1.00 0.00 O ATOM 461 CB ALA A 34 -7.150 -0.273 1.780 1.00 0.00 C ATOM 0 H ALA A 34 -7.834 -1.649 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.325 1.077 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.788 0.508 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.020 -0.757 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.363 -1.011 1.626 1.00 0.00 H new ATOM 467 N LEU A 35 -5.748 0.395 -1.174 1.00 0.00 N ATOM 468 CA LEU A 35 -4.622 0.968 -1.891 1.00 0.00 C ATOM 469 C LEU A 35 -5.111 2.135 -2.751 1.00 0.00 C ATOM 470 O LEU A 35 -4.731 3.283 -2.521 1.00 0.00 O ATOM 471 CB LEU A 35 -3.884 -0.113 -2.683 1.00 0.00 C ATOM 472 CG LEU A 35 -2.523 0.287 -3.257 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.681 0.972 -4.616 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.743 1.153 -2.265 1.00 0.00 C ATOM 0 H LEU A 35 -5.998 -0.552 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.891 1.372 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.743 -0.978 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.523 -0.433 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.941 -0.620 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.699 1.246 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.167 0.290 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.290 1.869 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.780 1.424 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.310 2.058 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.583 0.595 -1.342 1.00 0.00 H new ATOM 486 N VAL A 36 -5.947 1.802 -3.723 1.00 0.00 N ATOM 487 CA VAL A 36 -6.492 2.808 -4.619 1.00 0.00 C ATOM 488 C VAL A 36 -7.093 3.948 -3.793 1.00 0.00 C ATOM 489 O VAL A 36 -6.803 5.117 -4.040 1.00 0.00 O ATOM 490 CB VAL A 36 -7.500 2.167 -5.574 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.019 0.790 -6.036 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.885 2.076 -4.931 1.00 0.00 C ATOM 0 H VAL A 36 -6.260 0.850 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.704 3.235 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.581 2.806 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.754 0.356 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.065 0.892 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.895 0.139 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.582 1.616 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.827 1.470 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.234 3.077 -4.676 1.00 0.00 H new ATOM 502 N CYS A 37 -7.918 3.567 -2.829 1.00 0.00 N ATOM 503 CA CYS A 37 -8.562 4.542 -1.966 1.00 0.00 C ATOM 504 C CYS A 37 -7.485 5.472 -1.404 1.00 0.00 C ATOM 505 O CYS A 37 -7.545 6.685 -1.597 1.00 0.00 O ATOM 506 CB CYS A 37 -9.370 3.868 -0.855 1.00 0.00 C ATOM 507 SG CYS A 37 -10.697 2.839 -1.583 1.00 0.00 S ATOM 0 H CYS A 37 -8.155 2.596 -2.627 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.279 5.125 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.715 3.250 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.803 4.623 -0.199 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.182 1.752 -2.077 1.00 0.00 H new ATOM 513 N TYR A 38 -6.524 4.867 -0.721 1.00 0.00 N ATOM 514 CA TYR A 38 -5.435 5.625 -0.130 1.00 0.00 C ATOM 515 C TYR A 38 -4.771 6.531 -1.169 1.00 0.00 C ATOM 516 O TYR A 38 -4.413 7.669 -0.868 1.00 0.00 O ATOM 517 CB TYR A 38 -4.415 4.592 0.354 1.00 0.00 C ATOM 518 CG TYR A 38 -4.678 4.075 1.770 1.00 0.00 C ATOM 519 CD1 TYR A 38 -5.076 4.949 2.761 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.516 2.735 2.056 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.323 4.462 4.093 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.763 2.248 3.388 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.154 3.136 4.341 1.00 0.00 C ATOM 524 OH TYR A 38 -5.388 2.676 5.600 1.00 0.00 O ATOM 0 H TYR A 38 -6.477 3.860 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.803 6.259 0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.413 3.748 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.420 5.035 0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.202 5.998 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.204 2.051 1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.636 5.135 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.641 1.201 3.625 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.424 3.432 6.223 1.00 0.00 H new ATOM 534 N GLN A 39 -4.626 5.993 -2.371 1.00 0.00 N ATOM 535 CA GLN A 39 -4.011 6.738 -3.456 1.00 0.00 C ATOM 536 C GLN A 39 -4.925 7.883 -3.898 1.00 0.00 C ATOM 537 O GLN A 39 -4.465 9.004 -4.108 1.00 0.00 O ATOM 538 CB GLN A 39 -3.675 5.819 -4.632 1.00 0.00 C ATOM 539 CG GLN A 39 -2.852 4.615 -4.169 1.00 0.00 C ATOM 540 CD GLN A 39 -1.369 4.809 -4.492 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.888 4.462 -5.558 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.673 5.381 -3.513 1.00 0.00 N ATOM 0 H GLN A 39 -4.924 5.049 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.076 7.165 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.595 5.475 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.119 6.376 -5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.979 4.474 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.219 3.711 -4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.138 5.647 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.325 5.553 -3.630 1.00 0.00 H new ATOM 551 N GLU A 40 -6.204 7.560 -4.027 1.00 0.00 N ATOM 552 CA GLU A 40 -7.187 8.547 -4.440 1.00 0.00 C ATOM 553 C GLU A 40 -7.123 9.774 -3.528 1.00 0.00 C ATOM 554 O GLU A 40 -7.159 10.908 -4.003 1.00 0.00 O ATOM 555 CB GLU A 40 -8.594 7.947 -4.455 1.00 0.00 C ATOM 556 CG GLU A 40 -8.623 6.636 -5.242 1.00 0.00 C ATOM 557 CD GLU A 40 -9.609 6.719 -6.410 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.703 7.282 -6.189 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.246 6.217 -7.495 1.00 0.00 O ATOM 0 H GLU A 40 -6.582 6.629 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.952 8.862 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.928 7.769 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.291 8.657 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.625 6.412 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.905 5.817 -4.581 1.00 0.00 H new ATOM 566 N GLY A 41 -7.031 9.505 -2.234 1.00 0.00 N ATOM 567 CA GLY A 41 -6.962 10.573 -1.251 1.00 0.00 C ATOM 568 C GLY A 41 -5.640 11.336 -1.361 1.00 0.00 C ATOM 569 O GLY A 41 -5.635 12.556 -1.521 1.00 0.00 O ATOM 0 H GLY A 41 -7.003 8.563 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.796 11.260 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.063 10.157 -0.249 1.00 0.00 H new ATOM 573 N ILE A 42 -4.552 10.586 -1.272 1.00 0.00 N ATOM 574 CA ILE A 42 -3.227 11.176 -1.360 1.00 0.00 C ATOM 575 C ILE A 42 -3.185 12.152 -2.538 1.00 0.00 C ATOM 576 O ILE A 42 -2.875 13.329 -2.363 1.00 0.00 O ATOM 577 CB ILE A 42 -2.157 10.084 -1.428 1.00 0.00 C ATOM 578 CG1 ILE A 42 -2.031 9.356 -0.088 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.819 10.657 -1.897 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.893 7.847 -0.295 1.00 0.00 C ATOM 0 H ILE A 42 -4.561 9.575 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.006 11.751 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.468 9.346 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.164 9.733 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.907 9.564 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.076 9.861 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.937 11.092 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.489 11.427 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.805 7.354 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.773 7.469 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.003 7.641 -0.889 1.00 0.00 H new ATOM 592 N ASP A 43 -3.503 11.626 -3.712 1.00 0.00 N ATOM 593 CA ASP A 43 -3.506 12.436 -4.918 1.00 0.00 C ATOM 594 C ASP A 43 -4.310 13.713 -4.668 1.00 0.00 C ATOM 595 O ASP A 43 -3.861 14.809 -4.999 1.00 0.00 O ATOM 596 CB ASP A 43 -4.157 11.687 -6.083 1.00 0.00 C ATOM 597 CG ASP A 43 -3.280 11.541 -7.328 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.059 11.345 -7.143 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.850 11.628 -8.437 1.00 0.00 O ATOM 0 H ASP A 43 -3.760 10.649 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.471 12.667 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.445 10.693 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.074 12.206 -6.362 1.00 0.00 H new ATOM 604 N MET A 44 -5.486 13.529 -4.086 1.00 0.00 N ATOM 605 CA MET A 44 -6.358 14.653 -3.788 1.00 0.00 C ATOM 606 C MET A 44 -5.701 15.605 -2.787 1.00 0.00 C ATOM 607 O MET A 44 -5.681 16.817 -2.999 1.00 0.00 O ATOM 608 CB MET A 44 -7.678 14.136 -3.212 1.00 0.00 C ATOM 609 CG MET A 44 -8.605 13.640 -4.323 1.00 0.00 C ATOM 610 SD MET A 44 -10.233 13.322 -3.664 1.00 0.00 S ATOM 611 CE MET A 44 -10.137 11.554 -3.440 1.00 0.00 C ATOM 0 H MET A 44 -5.856 12.618 -3.813 1.00 0.00 H new ATOM 0 HA MET A 44 -6.545 15.200 -4.712 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.480 13.326 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.170 14.931 -2.651 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.664 14.384 -5.117 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.200 12.731 -4.767 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.072 11.190 -3.015 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.965 11.074 -4.403 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.315 11.317 -2.764 1.00 0.00 H new ATOM 621 N LEU A 45 -5.180 15.022 -1.718 1.00 0.00 N ATOM 622 CA LEU A 45 -4.525 15.804 -0.683 1.00 0.00 C ATOM 623 C LEU A 45 -3.334 16.548 -1.291 1.00 0.00 C ATOM 624 O LEU A 45 -3.224 17.766 -1.154 1.00 0.00 O ATOM 625 CB LEU A 45 -4.153 14.915 0.505 1.00 0.00 C ATOM 626 CG LEU A 45 -5.319 14.228 1.219 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.848 12.970 1.951 1.00 0.00 C ATOM 628 CD2 LEU A 45 -6.039 15.200 2.155 1.00 0.00 C ATOM 0 H LEU A 45 -5.198 14.017 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.205 16.558 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.463 14.147 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.614 15.522 1.233 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.042 13.912 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.696 12.501 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.417 12.272 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.095 13.240 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.863 14.686 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.339 15.569 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.429 16.039 1.579 1.00 0.00 H new ATOM 640 N LEU A 46 -2.473 15.786 -1.948 1.00 0.00 N ATOM 641 CA LEU A 46 -1.294 16.358 -2.577 1.00 0.00 C ATOM 642 C LEU A 46 -1.669 17.686 -3.238 1.00 0.00 C ATOM 643 O LEU A 46 -1.078 18.722 -2.937 1.00 0.00 O ATOM 644 CB LEU A 46 -0.657 15.351 -3.536 1.00 0.00 C ATOM 645 CG LEU A 46 0.571 14.607 -3.008 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.228 13.780 -4.115 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.559 15.574 -2.352 1.00 0.00 C ATOM 0 H LEU A 46 -2.568 14.776 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.531 16.577 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.412 14.615 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.375 15.876 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 46 0.243 13.910 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.098 13.261 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.514 13.050 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.540 14.439 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.422 15.019 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.886 16.312 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.073 16.081 -1.518 1.00 0.00 H new ATOM 659 N GLN A 47 -2.648 17.612 -4.127 1.00 0.00 N ATOM 660 CA GLN A 47 -3.108 18.796 -4.834 1.00 0.00 C ATOM 661 C GLN A 47 -3.546 19.872 -3.838 1.00 0.00 C ATOM 662 O GLN A 47 -3.356 21.062 -4.081 1.00 0.00 O ATOM 663 CB GLN A 47 -4.241 18.450 -5.802 1.00 0.00 C ATOM 664 CG GLN A 47 -3.811 17.356 -6.781 1.00 0.00 C ATOM 665 CD GLN A 47 -3.983 17.818 -8.230 1.00 0.00 C ATOM 666 OE1 GLN A 47 -4.950 17.497 -8.901 1.00 0.00 O ATOM 667 NE2 GLN A 47 -2.992 18.588 -8.672 1.00 0.00 N ATOM 0 H GLN A 47 -3.136 16.751 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.279 19.190 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.115 18.118 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.537 19.342 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.769 17.091 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.403 16.457 -6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.212 18.818 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.013 18.948 -9.626 1.00 0.00 H new ATOM 676 N VAL A 48 -4.125 19.413 -2.738 1.00 0.00 N ATOM 677 CA VAL A 48 -4.592 20.322 -1.704 1.00 0.00 C ATOM 678 C VAL A 48 -3.388 20.987 -1.034 1.00 0.00 C ATOM 679 O VAL A 48 -3.342 22.210 -0.906 1.00 0.00 O ATOM 680 CB VAL A 48 -5.488 19.573 -0.715 1.00 0.00 C ATOM 681 CG1 VAL A 48 -6.078 20.530 0.323 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.593 18.809 -1.447 1.00 0.00 C ATOM 0 H VAL A 48 -4.281 18.425 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.201 21.115 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.871 18.846 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.711 19.973 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.270 21.009 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.674 21.291 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.215 18.285 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.207 19.510 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.145 18.086 -2.129 1.00 0.00 H new ATOM 692 N LEU A 49 -2.443 20.154 -0.625 1.00 0.00 N ATOM 693 CA LEU A 49 -1.243 20.646 0.029 1.00 0.00 C ATOM 694 C LEU A 49 -0.567 21.684 -0.869 1.00 0.00 C ATOM 695 O LEU A 49 -0.248 22.784 -0.421 1.00 0.00 O ATOM 696 CB LEU A 49 -0.329 19.482 0.418 1.00 0.00 C ATOM 697 CG LEU A 49 0.986 19.861 1.102 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.129 19.943 0.088 1.00 0.00 C ATOM 699 CD2 LEU A 49 0.834 21.157 1.901 1.00 0.00 C ATOM 0 H LEU A 49 -2.484 19.141 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.497 21.148 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.882 18.818 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.096 18.912 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 49 1.242 19.073 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.052 20.214 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.255 18.975 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.896 20.698 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.783 21.404 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.543 21.966 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.068 21.026 2.665 1.00 0.00 H new ATOM 835 N ARG A 58 0.234 22.522 6.073 1.00 0.00 N ATOM 836 CA ARG A 58 1.205 21.853 5.223 1.00 0.00 C ATOM 837 C ARG A 58 1.878 20.710 5.985 1.00 0.00 C ATOM 838 O ARG A 58 1.838 19.560 5.550 1.00 0.00 O ATOM 839 CB ARG A 58 2.275 22.831 4.734 1.00 0.00 C ATOM 840 CG ARG A 58 1.732 23.724 3.616 1.00 0.00 C ATOM 841 CD ARG A 58 2.496 25.047 3.552 1.00 0.00 C ATOM 842 NE ARG A 58 3.140 25.196 2.227 1.00 0.00 N ATOM 843 CZ ARG A 58 4.258 24.557 1.859 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.865 23.722 2.714 1.00 0.00 N ATOM 845 NH2 ARG A 58 4.771 24.754 0.637 1.00 0.00 N ATOM 0 HA ARG A 58 0.672 21.455 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.615 23.449 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.142 22.277 4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.813 23.206 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.673 23.919 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.815 25.879 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.251 25.079 4.338 1.00 0.00 H new ATOM 0 HE ARG A 58 2.705 25.825 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.475 23.573 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.716 23.235 2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.310 25.391 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.622 24.267 0.357 1.00 0.00 H new ATOM 859 N CYS A 59 2.482 21.066 7.109 1.00 0.00 N ATOM 860 CA CYS A 59 3.164 20.084 7.936 1.00 0.00 C ATOM 861 C CYS A 59 2.240 18.876 8.107 1.00 0.00 C ATOM 862 O CYS A 59 2.675 17.733 7.969 1.00 0.00 O ATOM 863 CB CYS A 59 3.586 20.674 9.283 1.00 0.00 C ATOM 864 SG CYS A 59 5.315 20.204 9.657 1.00 0.00 S ATOM 0 H CYS A 59 2.514 22.021 7.467 1.00 0.00 H new ATOM 0 HA CYS A 59 4.086 19.770 7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.492 21.760 9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.924 20.314 10.071 1.00 0.00 H new ATOM 0 HG CYS A 59 5.665 20.712 10.802 1.00 0.00 H new ATOM 870 N VAL A 60 0.983 19.169 8.405 1.00 0.00 N ATOM 871 CA VAL A 60 -0.005 18.122 8.596 1.00 0.00 C ATOM 872 C VAL A 60 -0.210 17.373 7.277 1.00 0.00 C ATOM 873 O VAL A 60 0.103 16.188 7.178 1.00 0.00 O ATOM 874 CB VAL A 60 -1.300 18.718 9.152 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.452 17.717 9.052 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.109 19.194 10.594 1.00 0.00 C ATOM 0 H VAL A 60 0.626 20.118 8.519 1.00 0.00 H new ATOM 0 HA VAL A 60 0.345 17.397 9.331 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.558 19.585 8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.360 18.166 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.611 17.449 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.207 16.822 9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.044 19.613 10.966 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.815 18.351 11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.331 19.957 10.625 1.00 0.00 H new ATOM 886 N LEU A 61 -0.733 18.096 6.298 1.00 0.00 N ATOM 887 CA LEU A 61 -0.983 17.515 4.990 1.00 0.00 C ATOM 888 C LEU A 61 0.195 16.620 4.601 1.00 0.00 C ATOM 889 O LEU A 61 0.048 15.403 4.502 1.00 0.00 O ATOM 890 CB LEU A 61 -1.288 18.611 3.967 1.00 0.00 C ATOM 891 CG LEU A 61 -2.709 19.178 3.994 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.796 20.476 3.188 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.724 18.138 3.517 1.00 0.00 C ATOM 0 H LEU A 61 -0.991 19.079 6.384 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.869 16.881 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.588 19.432 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.096 18.214 2.970 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.960 19.422 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.816 20.858 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.117 21.215 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.517 20.281 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.726 18.567 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.487 17.840 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.684 17.265 4.169 1.00 0.00 H new ATOM 905 N ARG A 62 1.337 17.258 4.390 1.00 0.00 N ATOM 906 CA ARG A 62 2.540 16.535 4.014 1.00 0.00 C ATOM 907 C ARG A 62 2.709 15.293 4.892 1.00 0.00 C ATOM 908 O ARG A 62 3.211 14.268 4.434 1.00 0.00 O ATOM 909 CB ARG A 62 3.780 17.420 4.150 1.00 0.00 C ATOM 910 CG ARG A 62 3.868 18.421 2.995 1.00 0.00 C ATOM 911 CD ARG A 62 5.239 19.099 2.961 1.00 0.00 C ATOM 912 NE ARG A 62 5.799 19.041 1.593 1.00 0.00 N ATOM 913 CZ ARG A 62 6.491 18.001 1.108 1.00 0.00 C ATOM 914 NH1 ARG A 62 6.712 16.926 1.877 1.00 0.00 N ATOM 915 NH2 ARG A 62 6.961 18.035 -0.147 1.00 0.00 N ATOM 0 H ARG A 62 1.455 18.268 4.472 1.00 0.00 H new ATOM 0 HA ARG A 62 2.434 16.236 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.747 17.956 5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.675 16.798 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.688 17.908 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.088 19.175 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.149 20.137 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.915 18.607 3.660 1.00 0.00 H new ATOM 0 HE ARG A 62 5.649 19.843 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.353 16.899 2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.239 16.134 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.792 18.853 -0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.488 17.243 -0.516 1.00 0.00 H new ATOM 929 N THR A 63 2.281 15.427 6.139 1.00 0.00 N ATOM 930 CA THR A 63 2.379 14.328 7.085 1.00 0.00 C ATOM 931 C THR A 63 1.260 13.313 6.842 1.00 0.00 C ATOM 932 O THR A 63 1.457 12.112 7.022 1.00 0.00 O ATOM 933 CB THR A 63 2.368 14.918 8.497 1.00 0.00 C ATOM 934 OG1 THR A 63 3.745 15.136 8.793 1.00 0.00 O ATOM 935 CG2 THR A 63 1.915 13.906 9.551 1.00 0.00 C ATOM 0 H THR A 63 1.866 16.279 6.516 1.00 0.00 H new ATOM 0 HA THR A 63 3.310 13.776 6.955 1.00 0.00 H new ATOM 0 HB THR A 63 1.710 15.787 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.966 16.079 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.925 14.376 10.535 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.904 13.568 9.321 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.592 13.052 9.550 1.00 0.00 H new ATOM 943 N LYS A 64 0.111 13.833 6.437 1.00 0.00 N ATOM 944 CA LYS A 64 -1.039 12.987 6.167 1.00 0.00 C ATOM 945 C LYS A 64 -0.832 12.261 4.836 1.00 0.00 C ATOM 946 O LYS A 64 -0.959 11.039 4.766 1.00 0.00 O ATOM 947 CB LYS A 64 -2.331 13.804 6.226 1.00 0.00 C ATOM 948 CG LYS A 64 -2.797 14.197 4.823 1.00 0.00 C ATOM 949 CD LYS A 64 -4.194 14.819 4.863 1.00 0.00 C ATOM 950 CE LYS A 64 -4.302 15.854 5.984 1.00 0.00 C ATOM 951 NZ LYS A 64 -4.968 15.269 7.168 1.00 0.00 N ATOM 0 H LYS A 64 -0.048 14.830 6.289 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.137 12.222 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.109 13.224 6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.171 14.701 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.092 14.905 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.805 13.318 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.413 15.291 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.940 14.038 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.308 16.208 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.864 16.720 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.424 16.024 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.687 14.584 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.262 14.787 7.760 1.00 0.00 H new ATOM 965 N ILE A 65 -0.516 13.043 3.815 1.00 0.00 N ATOM 966 CA ILE A 65 -0.290 12.489 2.490 1.00 0.00 C ATOM 967 C ILE A 65 0.734 11.357 2.584 1.00 0.00 C ATOM 968 O ILE A 65 0.415 10.201 2.308 1.00 0.00 O ATOM 969 CB ILE A 65 0.103 13.594 1.508 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.125 14.389 1.057 1.00 0.00 C ATOM 971 CG2 ILE A 65 0.882 13.022 0.322 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.895 15.893 1.221 1.00 0.00 C ATOM 0 H ILE A 65 -0.411 14.056 3.878 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.209 12.056 2.096 1.00 0.00 H new ATOM 0 HB ILE A 65 0.766 14.289 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.346 14.163 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.994 14.085 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.149 13.829 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.789 12.536 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.264 12.293 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.782 16.435 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.698 16.119 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.040 16.198 0.617 1.00 0.00 H new ATOM 984 N SER A 66 1.945 11.728 2.973 1.00 0.00 N ATOM 985 CA SER A 66 3.018 10.757 3.107 1.00 0.00 C ATOM 986 C SER A 66 2.560 9.586 3.977 1.00 0.00 C ATOM 987 O SER A 66 2.797 8.427 3.640 1.00 0.00 O ATOM 988 CB SER A 66 4.272 11.401 3.701 1.00 0.00 C ATOM 989 OG SER A 66 4.112 11.704 5.084 1.00 0.00 O ATOM 0 H SER A 66 2.207 12.687 3.200 1.00 0.00 H new ATOM 0 HA SER A 66 3.269 10.386 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.120 10.729 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.504 12.315 3.154 1.00 0.00 H new ATOM 0 HG SER A 66 3.779 12.621 5.182 1.00 0.00 H new ATOM 995 N GLY A 67 1.911 9.929 5.080 1.00 0.00 N ATOM 996 CA GLY A 67 1.417 8.920 6.002 1.00 0.00 C ATOM 997 C GLY A 67 0.499 7.926 5.287 1.00 0.00 C ATOM 998 O GLY A 67 0.461 6.748 5.637 1.00 0.00 O ATOM 0 H GLY A 67 1.716 10.891 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.257 8.388 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.875 9.401 6.816 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.218 8.439 4.298 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.133 7.611 3.530 1.00 0.00 C ATOM 1004 C TYR A 68 -0.429 6.991 2.321 1.00 0.00 C ATOM 1005 O TYR A 68 -1.011 6.169 1.614 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.237 8.549 3.036 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.163 9.057 4.143 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.758 8.163 5.010 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.403 10.410 4.275 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.630 8.642 6.052 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.274 10.888 5.317 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.844 9.981 6.154 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.667 10.432 7.138 1.00 0.00 O ATOM 0 H TYR A 68 -0.184 9.417 4.011 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.519 6.796 4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.778 9.404 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.834 8.028 2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.570 7.104 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.938 11.110 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.103 7.953 6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.470 11.944 5.431 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.727 11.409 7.092 1.00 0.00 H new ATOM 1023 N MET A 69 0.812 7.408 2.122 1.00 0.00 N ATOM 1024 CA MET A 69 1.602 6.904 1.011 1.00 0.00 C ATOM 1025 C MET A 69 2.387 5.655 1.419 1.00 0.00 C ATOM 1026 O MET A 69 2.427 4.673 0.679 1.00 0.00 O ATOM 1027 CB MET A 69 2.574 7.988 0.542 1.00 0.00 C ATOM 1028 CG MET A 69 1.843 9.073 -0.252 1.00 0.00 C ATOM 1029 SD MET A 69 2.935 9.772 -1.479 1.00 0.00 S ATOM 1030 CE MET A 69 2.615 8.668 -2.844 1.00 0.00 C ATOM 0 H MET A 69 1.291 8.089 2.711 1.00 0.00 H new ATOM 0 HA MET A 69 0.925 6.636 0.200 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.070 8.435 1.404 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.352 7.541 -0.077 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.962 8.650 -0.736 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.492 9.854 0.422 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.259 8.931 -3.683 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.818 7.642 -2.538 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.571 8.756 -3.146 1.00 0.00 H new ATOM 1040 N ASP A 70 2.992 5.734 2.595 1.00 0.00 N ATOM 1041 CA ASP A 70 3.775 4.623 3.110 1.00 0.00 C ATOM 1042 C ASP A 70 2.899 3.370 3.162 1.00 0.00 C ATOM 1043 O ASP A 70 3.340 2.284 2.790 1.00 0.00 O ATOM 1044 CB ASP A 70 4.274 4.911 4.527 1.00 0.00 C ATOM 1045 CG ASP A 70 5.588 4.223 4.902 1.00 0.00 C ATOM 1046 OD1 ASP A 70 6.219 3.665 3.979 1.00 0.00 O ATOM 1047 OD2 ASP A 70 5.932 4.272 6.102 1.00 0.00 O ATOM 0 H ASP A 70 2.956 6.550 3.206 1.00 0.00 H new ATOM 0 HA ASP A 70 4.630 4.478 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.400 5.988 4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.505 4.604 5.236 1.00 0.00 H new ATOM 1052 N ARG A 71 1.673 3.562 3.628 1.00 0.00 N ATOM 1053 CA ARG A 71 0.731 2.461 3.734 1.00 0.00 C ATOM 1054 C ARG A 71 0.359 1.944 2.343 1.00 0.00 C ATOM 1055 O ARG A 71 0.312 0.736 2.117 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.540 2.892 4.467 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.416 1.683 4.804 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.568 0.515 5.310 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.409 -0.422 6.088 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.895 -0.158 7.308 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -1.627 1.015 7.897 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.650 -1.068 7.939 1.00 0.00 N ATOM 0 H ARG A 71 1.311 4.464 3.936 1.00 0.00 H new ATOM 0 HA ARG A 71 1.213 1.666 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.274 3.420 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.102 3.591 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.148 1.960 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.974 1.376 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.112 -0.006 4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.246 0.888 5.932 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.632 -1.325 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.053 1.708 7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.997 1.216 8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.854 -1.961 7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.020 -0.868 8.868 1.00 0.00 H new ATOM 1076 N ALA A 72 0.105 2.886 1.446 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.261 2.541 0.083 1.00 0.00 C ATOM 1078 C ALA A 72 0.863 1.718 -0.550 1.00 0.00 C ATOM 1079 O ALA A 72 0.614 0.658 -1.122 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.562 3.819 -0.704 1.00 0.00 C ATOM 0 H ALA A 72 0.145 3.887 1.637 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.164 1.930 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.837 3.560 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.387 4.352 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.323 4.456 -0.716 1.00 0.00 H new ATOM 1086 N GLU A 73 2.075 2.238 -0.427 1.00 0.00 N ATOM 1087 CA GLU A 73 3.238 1.565 -0.980 1.00 0.00 C ATOM 1088 C GLU A 73 3.313 0.126 -0.465 1.00 0.00 C ATOM 1089 O GLU A 73 3.178 -0.822 -1.236 1.00 0.00 O ATOM 1090 CB GLU A 73 4.521 2.332 -0.656 1.00 0.00 C ATOM 1091 CG GLU A 73 5.025 3.099 -1.880 1.00 0.00 C ATOM 1092 CD GLU A 73 6.538 3.319 -1.805 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.159 2.692 -0.920 1.00 0.00 O ATOM 1094 OE2 GLU A 73 7.038 4.108 -2.634 1.00 0.00 O ATOM 0 H GLU A 73 2.277 3.118 0.048 1.00 0.00 H new ATOM 0 HA GLU A 73 3.136 1.537 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.336 3.027 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.289 1.637 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.779 2.546 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.517 4.061 -1.945 1.00 0.00 H new ATOM 1101 N ASN A 74 3.530 0.009 0.837 1.00 0.00 N ATOM 1102 CA ASN A 74 3.625 -1.298 1.465 1.00 0.00 C ATOM 1103 C ASN A 74 2.569 -2.226 0.863 1.00 0.00 C ATOM 1104 O ASN A 74 2.848 -3.392 0.585 1.00 0.00 O ATOM 1105 CB ASN A 74 3.370 -1.205 2.971 1.00 0.00 C ATOM 1106 CG ASN A 74 4.600 -1.652 3.764 1.00 0.00 C ATOM 1107 OD1 ASN A 74 4.729 -2.797 4.165 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.493 -0.687 3.967 1.00 0.00 N ATOM 0 H ASN A 74 3.643 0.798 1.474 1.00 0.00 H new ATOM 0 HA ASN A 74 4.630 -1.683 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.114 -0.180 3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.515 -1.827 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.348 -0.885 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.322 0.251 3.603 1.00 0.00 H new ATOM 1115 N ILE A 75 1.378 -1.675 0.680 1.00 0.00 N ATOM 1116 CA ILE A 75 0.278 -2.440 0.116 1.00 0.00 C ATOM 1117 C ILE A 75 0.614 -2.819 -1.328 1.00 0.00 C ATOM 1118 O ILE A 75 0.709 -4.000 -1.657 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.037 -1.672 0.260 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.552 -1.731 1.700 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.078 -2.176 -0.741 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.704 -0.748 1.911 1.00 0.00 C ATOM 0 H ILE A 75 1.150 -0.708 0.912 1.00 0.00 H new ATOM 0 HA ILE A 75 0.139 -3.371 0.666 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.847 -0.624 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.886 -2.743 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.741 -1.499 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.004 -1.614 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.703 -2.040 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.270 -3.234 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.051 -0.810 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.360 0.265 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.523 -0.997 1.237 1.00 0.00 H new ATOM 1134 N LYS A 76 0.786 -1.794 -2.150 1.00 0.00 N ATOM 1135 CA LYS A 76 1.109 -2.005 -3.551 1.00 0.00 C ATOM 1136 C LYS A 76 2.245 -3.024 -3.660 1.00 0.00 C ATOM 1137 O LYS A 76 2.141 -3.998 -4.404 1.00 0.00 O ATOM 1138 CB LYS A 76 1.411 -0.672 -4.238 1.00 0.00 C ATOM 1139 CG LYS A 76 0.182 -0.148 -4.984 1.00 0.00 C ATOM 1140 CD LYS A 76 0.511 0.135 -6.451 1.00 0.00 C ATOM 1141 CE LYS A 76 1.201 1.492 -6.606 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.144 1.466 -7.747 1.00 0.00 N ATOM 0 H LYS A 76 0.708 -0.816 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 76 0.253 -2.423 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.729 0.060 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.238 -0.798 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.624 -0.879 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.177 0.763 -4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.157 -0.652 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.404 0.119 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.454 2.271 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.736 1.741 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.604 2.394 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.867 0.736 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.625 1.249 -8.622 1.00 0.00 H new ATOM 1156 N LYS A 77 3.304 -2.765 -2.907 1.00 0.00 N ATOM 1157 CA LYS A 77 4.458 -3.648 -2.910 1.00 0.00 C ATOM 1158 C LYS A 77 4.007 -5.072 -2.579 1.00 0.00 C ATOM 1159 O LYS A 77 4.623 -6.040 -3.020 1.00 0.00 O ATOM 1160 CB LYS A 77 5.543 -3.114 -1.973 1.00 0.00 C ATOM 1161 CG LYS A 77 6.441 -2.105 -2.692 1.00 0.00 C ATOM 1162 CD LYS A 77 5.781 -0.727 -2.751 1.00 0.00 C ATOM 1163 CE LYS A 77 4.777 -0.648 -3.902 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.223 0.337 -4.913 1.00 0.00 N ATOM 0 H LYS A 77 3.387 -1.956 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 77 4.911 -3.679 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.080 -2.641 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.146 -3.942 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.398 -2.032 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.651 -2.455 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.275 -0.522 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.545 0.041 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.668 -1.629 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.797 -0.366 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.530 0.378 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.305 1.275 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.148 0.051 -5.292 1.00 0.00 H new ATOM 1178 N TYR A 78 2.934 -5.154 -1.806 1.00 0.00 N ATOM 1179 CA TYR A 78 2.393 -6.443 -1.411 1.00 0.00 C ATOM 1180 C TYR A 78 1.358 -6.937 -2.425 1.00 0.00 C ATOM 1181 O TYR A 78 1.129 -8.139 -2.547 1.00 0.00 O ATOM 1182 CB TYR A 78 1.702 -6.216 -0.065 1.00 0.00 C ATOM 1183 CG TYR A 78 0.433 -7.047 0.131 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.524 -8.358 0.553 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.804 -6.486 -0.115 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.671 -9.140 0.737 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.999 -7.268 0.070 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.874 -8.556 0.487 1.00 0.00 C ATOM 1189 OH TYR A 78 -3.002 -9.295 0.661 1.00 0.00 O ATOM 0 H TYR A 78 2.425 -4.348 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 78 3.185 -7.190 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.404 -6.449 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.450 -5.160 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.492 -8.797 0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.876 -5.461 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.614 -10.167 1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.973 -6.841 -0.118 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.787 -8.749 0.447 1.00 0.00 H new ATOM 1199 N LEU A 79 0.762 -5.984 -3.125 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.243 -6.307 -4.124 1.00 0.00 C ATOM 1201 C LEU A 79 0.450 -6.781 -5.403 1.00 0.00 C ATOM 1202 O LEU A 79 -0.001 -7.730 -6.042 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.186 -5.121 -4.339 1.00 0.00 C ATOM 1204 CG LEU A 79 -2.017 -4.697 -3.127 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.843 -3.447 -3.438 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.890 -5.851 -2.630 1.00 0.00 C ATOM 0 H LEU A 79 0.955 -4.988 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.873 -7.127 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.594 -4.266 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.867 -5.367 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.333 -4.438 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.424 -3.167 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.176 -2.628 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.518 -3.654 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.471 -5.523 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.567 -6.164 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.256 -6.689 -2.342 1.00 0.00 H new