USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 35 SER OG : rot -11:sc= 1.05 USER MOD Set 1.2: A 46 LYS NZ :NH3+ 177:sc= 0.491 (180deg=0.48) USER MOD Set 2.1: A 25 HIS : no HE2:sc= 0.43 K(o=1.6,f=-2.6!) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.15 K(o=1.6,f=-6.7!) USER MOD Set 2.3: A 42 THR OG1 : rot -159:sc= 1 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -99:sc= 1.24 USER MOD Single : A 11 THR OG1 : rot 100:sc= 0.474 USER MOD Single : A 13 ASN : amide:sc= -2.05! K(o=-2.1!,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.03! C(o=-3!,f=-6.8!) USER MOD Single : A 32 SER OG : rot 88:sc= -0.0532 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -154:sc= 0.503 USER MOD Single : A 45 MET CE :methyl -123:sc= -0.201 (180deg=-3!) USER MOD Single : A 52 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 53 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0.838) USER MOD Single : A 59 ASN : amide:sc= 0.0979 K(o=0.098,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 8 -3.429 -5.186 12.715 1.00 0.00 N ATOM 112 CA LYS A 8 -3.694 -4.117 11.759 1.00 0.00 C ATOM 113 C LYS A 8 -3.380 -4.566 10.330 1.00 0.00 C ATOM 114 O LYS A 8 -3.118 -3.739 9.450 1.00 0.00 O ATOM 115 CB LYS A 8 -2.908 -2.859 12.129 1.00 0.00 C ATOM 116 CG LYS A 8 -1.401 -3.036 12.200 1.00 0.00 C ATOM 117 CD LYS A 8 -0.748 -1.727 12.570 1.00 0.00 C ATOM 118 CE LYS A 8 0.756 -1.844 12.671 1.00 0.00 C ATOM 119 NZ LYS A 8 1.382 -0.558 13.044 1.00 0.00 N ATOM 0 HA LYS A 8 -4.756 -3.877 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.133 -2.082 11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.262 -2.500 13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.150 -3.799 12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.021 -3.383 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.002 -0.973 11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.148 -1.381 13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.013 -2.602 13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.159 -2.181 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.413 -0.678 13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.158 0.159 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.016 -0.248 13.967 1.00 0.00 H new ATOM 133 N TYR A 9 -3.485 -5.887 10.112 1.00 0.00 N ATOM 134 CA TYR A 9 -3.222 -6.533 8.842 1.00 0.00 C ATOM 135 C TYR A 9 -1.782 -6.212 8.364 1.00 0.00 C ATOM 136 O TYR A 9 -0.853 -6.125 9.173 1.00 0.00 O ATOM 137 CB TYR A 9 -4.282 -6.082 7.824 1.00 0.00 C ATOM 138 CG TYR A 9 -4.539 -7.069 6.713 1.00 0.00 C ATOM 139 CD1 TYR A 9 -3.778 -8.220 6.589 1.00 0.00 C ATOM 140 CD2 TYR A 9 -5.567 -6.868 5.827 1.00 0.00 C ATOM 141 CE1 TYR A 9 -4.030 -9.143 5.626 1.00 0.00 C ATOM 142 CE2 TYR A 9 -5.833 -7.796 4.830 1.00 0.00 C ATOM 143 CZ TYR A 9 -5.056 -8.941 4.740 1.00 0.00 C ATOM 144 OH TYR A 9 -5.312 -9.889 3.766 1.00 0.00 O ATOM 0 H TYR A 9 -3.764 -6.542 10.843 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.288 -7.616 8.949 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.218 -5.895 8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.968 -5.135 7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.962 -8.387 7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.175 -5.979 5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.424 -10.034 5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.638 -7.628 4.130 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.907 -9.606 2.920 1.00 0.00 H new ATOM 154 N ARG A 10 -1.609 -6.068 7.081 1.00 0.00 N ATOM 155 CA ARG A 10 -0.349 -5.814 6.496 1.00 0.00 C ATOM 156 C ARG A 10 -0.320 -4.428 5.992 1.00 0.00 C ATOM 157 O ARG A 10 -1.199 -4.028 5.228 1.00 0.00 O ATOM 158 CB ARG A 10 -0.093 -6.617 5.263 1.00 0.00 C ATOM 159 CG ARG A 10 0.120 -8.081 5.355 1.00 0.00 C ATOM 160 CD ARG A 10 0.682 -8.526 4.003 1.00 0.00 C ATOM 161 NE ARG A 10 2.080 -8.022 3.773 1.00 0.00 N ATOM 162 CZ ARG A 10 2.482 -6.853 3.145 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.599 -5.844 2.848 1.00 0.00 N ATOM 164 NH2 ARG A 10 3.777 -6.683 2.875 1.00 0.00 N ATOM 0 H ARG A 10 -2.370 -6.128 6.405 1.00 0.00 H new ATOM 0 HA ARG A 10 0.377 -6.044 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.936 -6.455 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.786 -6.193 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.813 -8.322 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.815 -8.596 5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.677 -9.615 3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.032 -8.166 3.205 1.00 0.00 H new ATOM 0 HE ARG A 10 2.830 -8.617 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.613 -5.941 3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.929 -4.997 2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.450 -7.406 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.094 -5.830 2.414 1.00 0.00 H new ATOM 178 N THR A 11 0.655 -3.728 6.336 1.00 0.00 N ATOM 179 CA THR A 11 0.802 -2.433 5.778 1.00 0.00 C ATOM 180 C THR A 11 2.189 -2.240 5.106 1.00 0.00 C ATOM 181 O THR A 11 3.231 -2.605 5.672 1.00 0.00 O ATOM 182 CB THR A 11 0.437 -1.297 6.792 1.00 0.00 C ATOM 183 OG1 THR A 11 0.516 -0.015 6.177 1.00 0.00 O ATOM 184 CG2 THR A 11 1.338 -1.324 8.021 1.00 0.00 C ATOM 0 H THR A 11 1.377 -4.008 7.000 1.00 0.00 H new ATOM 0 HA THR A 11 0.069 -2.349 4.976 1.00 0.00 H new ATOM 0 HB THR A 11 -0.589 -1.480 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.383 0.285 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.052 -0.520 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.232 -2.283 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.375 -1.188 7.715 1.00 0.00 H new ATOM 192 N PRO A 12 2.204 -1.733 3.846 1.00 0.00 N ATOM 193 CA PRO A 12 3.441 -1.464 3.099 1.00 0.00 C ATOM 194 C PRO A 12 4.165 -0.244 3.628 1.00 0.00 C ATOM 195 O PRO A 12 3.545 0.687 4.149 1.00 0.00 O ATOM 196 CB PRO A 12 2.953 -1.168 1.675 1.00 0.00 C ATOM 197 CG PRO A 12 1.543 -1.605 1.659 1.00 0.00 C ATOM 198 CD PRO A 12 1.030 -1.386 3.036 1.00 0.00 C ATOM 0 HA PRO A 12 4.138 -2.299 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.041 -0.107 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.543 -1.709 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.966 -1.033 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.463 -2.654 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.712 -0.356 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.174 -2.023 3.261 1.00 0.00 H new ATOM 206 N ASN A 13 5.458 -0.256 3.526 1.00 0.00 N ATOM 207 CA ASN A 13 6.266 0.865 3.950 1.00 0.00 C ATOM 208 C ASN A 13 7.066 1.331 2.756 1.00 0.00 C ATOM 209 O ASN A 13 7.814 0.554 2.179 1.00 0.00 O ATOM 210 CB ASN A 13 7.235 0.493 5.111 1.00 0.00 C ATOM 211 CG ASN A 13 6.587 0.133 6.498 1.00 0.00 C ATOM 212 OD1 ASN A 13 7.186 0.413 7.535 1.00 0.00 O ATOM 213 ND2 ASN A 13 5.413 -0.519 6.555 1.00 0.00 N ATOM 0 H ASN A 13 5.991 -1.039 3.148 1.00 0.00 H new ATOM 0 HA ASN A 13 5.608 1.649 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.838 -0.356 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.917 1.329 5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.019 -0.782 7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.916 -0.751 5.695 1.00 0.00 H new ATOM 220 N CYS A 14 6.927 2.585 2.389 1.00 0.00 N ATOM 221 CA CYS A 14 7.634 3.142 1.234 1.00 0.00 C ATOM 222 C CYS A 14 9.100 3.481 1.536 1.00 0.00 C ATOM 223 O CYS A 14 9.731 4.274 0.828 1.00 0.00 O ATOM 224 CB CYS A 14 6.881 4.334 0.621 1.00 0.00 C ATOM 225 SG CYS A 14 5.325 3.870 -0.231 1.00 0.00 S ATOM 0 H CYS A 14 6.327 3.253 2.873 1.00 0.00 H new ATOM 0 HA CYS A 14 7.656 2.353 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.652 5.051 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.536 4.839 -0.089 1.00 0.00 H new ATOM 230 N SER A 15 9.639 2.871 2.579 1.00 0.00 N ATOM 231 CA SER A 15 11.048 2.950 2.842 1.00 0.00 C ATOM 232 C SER A 15 11.725 2.100 1.755 1.00 0.00 C ATOM 233 O SER A 15 12.619 2.555 1.042 1.00 0.00 O ATOM 234 CB SER A 15 11.325 2.399 4.228 1.00 0.00 C ATOM 235 OG SER A 15 10.430 2.985 5.174 1.00 0.00 O ATOM 0 H SER A 15 9.112 2.316 3.253 1.00 0.00 H new ATOM 0 HA SER A 15 11.425 3.972 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.208 1.315 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.356 2.609 4.512 1.00 0.00 H new ATOM 0 HG SER A 15 10.614 2.623 6.066 1.00 0.00 H new ATOM 241 N GLN A 16 11.261 0.870 1.619 1.00 0.00 N ATOM 242 CA GLN A 16 11.625 0.042 0.508 1.00 0.00 C ATOM 243 C GLN A 16 10.508 0.092 -0.466 1.00 0.00 C ATOM 244 O GLN A 16 9.493 -0.501 -0.202 1.00 0.00 O ATOM 245 CB GLN A 16 11.879 -1.425 0.903 1.00 0.00 C ATOM 246 CG GLN A 16 11.856 -2.424 -0.345 1.00 0.00 C ATOM 247 CD GLN A 16 12.165 -3.878 0.026 1.00 0.00 C ATOM 248 OE1 GLN A 16 13.329 -4.280 0.014 1.00 0.00 O ATOM 249 NE2 GLN A 16 11.156 -4.700 0.303 1.00 0.00 N ATOM 0 H GLN A 16 10.623 0.428 2.280 1.00 0.00 H new ATOM 0 HA GLN A 16 12.559 0.420 0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.845 -1.499 1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.124 -1.737 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.875 -2.379 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.581 -2.085 -1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.198 -4.348 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.340 -5.682 0.510 1.00 0.00 H new ATOM 258 N TYR A 17 10.687 0.927 -1.475 1.00 0.00 N ATOM 259 CA TYR A 17 9.877 1.102 -2.703 1.00 0.00 C ATOM 260 C TYR A 17 10.532 2.216 -3.456 1.00 0.00 C ATOM 261 O TYR A 17 10.241 3.392 -3.241 1.00 0.00 O ATOM 262 CB TYR A 17 8.341 1.416 -2.518 1.00 0.00 C ATOM 263 CG TYR A 17 7.535 0.234 -2.042 1.00 0.00 C ATOM 264 CD1 TYR A 17 7.863 -1.046 -2.471 1.00 0.00 C ATOM 265 CD2 TYR A 17 6.524 0.372 -1.106 1.00 0.00 C ATOM 266 CE1 TYR A 17 7.221 -2.141 -2.002 1.00 0.00 C ATOM 267 CE2 TYR A 17 5.863 -0.736 -0.614 1.00 0.00 C ATOM 268 CZ TYR A 17 6.215 -1.997 -1.059 1.00 0.00 C ATOM 269 OH TYR A 17 5.556 -3.109 -0.565 1.00 0.00 O ATOM 0 H TYR A 17 11.478 1.571 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 17 9.863 0.141 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.229 2.232 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.933 1.764 -3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.652 -1.170 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.250 1.357 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.491 -3.123 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.075 -0.618 0.115 1.00 0.00 H new ATOM 0 HH TYR A 17 5.259 -2.933 0.352 1.00 0.00 H new ATOM 279 N ARG A 18 11.509 1.877 -4.244 1.00 0.00 N ATOM 280 CA ARG A 18 12.250 2.888 -4.921 1.00 0.00 C ATOM 281 C ARG A 18 11.707 3.262 -6.271 1.00 0.00 C ATOM 282 O ARG A 18 12.021 2.637 -7.294 1.00 0.00 O ATOM 283 CB ARG A 18 13.737 2.611 -4.942 1.00 0.00 C ATOM 284 CG ARG A 18 14.359 2.722 -3.564 1.00 0.00 C ATOM 285 CD ARG A 18 14.132 4.104 -2.935 1.00 0.00 C ATOM 286 NE ARG A 18 14.506 5.199 -3.835 1.00 0.00 N ATOM 287 CZ ARG A 18 13.647 6.121 -4.318 1.00 0.00 C ATOM 288 NH1 ARG A 18 12.358 6.100 -3.967 1.00 0.00 N ATOM 289 NH2 ARG A 18 14.077 7.049 -5.147 1.00 0.00 N ATOM 0 H ARG A 18 11.806 0.919 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 18 12.109 3.782 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.913 1.611 -5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.226 3.313 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.937 1.955 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.429 2.528 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.082 4.206 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.711 4.180 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 18 15.484 5.269 -4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.015 5.383 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.717 6.801 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.059 7.071 -5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.429 7.746 -5.513 1.00 0.00 H new ATOM 303 N LEU A 19 10.842 4.239 -6.259 1.00 0.00 N ATOM 304 CA LEU A 19 10.283 4.812 -7.439 1.00 0.00 C ATOM 305 C LEU A 19 10.903 6.173 -7.683 1.00 0.00 C ATOM 306 O LEU A 19 11.363 6.829 -6.746 1.00 0.00 O ATOM 307 CB LEU A 19 8.740 4.959 -7.314 1.00 0.00 C ATOM 308 CG LEU A 19 7.903 3.686 -7.516 1.00 0.00 C ATOM 309 CD1 LEU A 19 8.212 2.592 -6.494 1.00 0.00 C ATOM 310 CD2 LEU A 19 6.415 3.986 -7.534 1.00 0.00 C ATOM 0 H LEU A 19 10.500 4.667 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 19 10.497 4.149 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.516 5.359 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.410 5.701 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 19 8.193 3.301 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.587 1.721 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.262 2.310 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.007 2.964 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.859 3.060 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.124 4.440 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.192 4.674 -8.349 1.00 0.00 H new ATOM 322 N PRO A 20 10.961 6.614 -8.947 1.00 0.00 N ATOM 323 CA PRO A 20 11.388 7.975 -9.266 1.00 0.00 C ATOM 324 C PRO A 20 10.243 8.955 -8.972 1.00 0.00 C ATOM 325 O PRO A 20 10.390 10.184 -9.036 1.00 0.00 O ATOM 326 CB PRO A 20 11.680 7.902 -10.769 1.00 0.00 C ATOM 327 CG PRO A 20 10.773 6.835 -11.276 1.00 0.00 C ATOM 328 CD PRO A 20 10.667 5.820 -10.167 1.00 0.00 C ATOM 0 HA PRO A 20 12.246 8.320 -8.688 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.482 8.856 -11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.725 7.657 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.794 7.242 -11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.172 6.382 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.674 5.372 -10.126 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.379 5.005 -10.298 1.00 0.00 H new ATOM 336 N GLY A 21 9.123 8.373 -8.623 1.00 0.00 N ATOM 337 CA GLY A 21 7.918 9.057 -8.322 1.00 0.00 C ATOM 338 C GLY A 21 6.830 8.062 -8.465 1.00 0.00 C ATOM 339 O GLY A 21 6.616 7.256 -7.582 1.00 0.00 O ATOM 0 H GLY A 21 9.036 7.360 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.943 9.463 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.768 9.898 -9.000 1.00 0.00 H new ATOM 343 N CYS A 22 6.230 8.045 -9.601 1.00 0.00 N ATOM 344 CA CYS A 22 5.241 7.063 -9.948 1.00 0.00 C ATOM 345 C CYS A 22 5.284 6.853 -11.459 1.00 0.00 C ATOM 346 O CYS A 22 4.905 7.743 -12.230 1.00 0.00 O ATOM 347 CB CYS A 22 3.828 7.539 -9.518 1.00 0.00 C ATOM 348 SG CYS A 22 3.604 7.701 -7.716 1.00 0.00 S ATOM 0 H CYS A 22 6.410 8.725 -10.339 1.00 0.00 H new ATOM 0 HA CYS A 22 5.454 6.127 -9.431 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.625 8.503 -9.985 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.089 6.836 -9.902 1.00 0.00 H new ATOM 353 N PRO A 23 5.783 5.688 -11.906 1.00 0.00 N ATOM 354 CA PRO A 23 5.793 5.314 -13.314 1.00 0.00 C ATOM 355 C PRO A 23 4.439 4.978 -13.802 1.00 0.00 C ATOM 356 O PRO A 23 3.794 4.040 -13.322 1.00 0.00 O ATOM 357 CB PRO A 23 6.687 4.093 -13.349 1.00 0.00 C ATOM 358 CG PRO A 23 7.508 4.298 -12.173 1.00 0.00 C ATOM 359 CD PRO A 23 6.531 4.715 -11.135 1.00 0.00 C ATOM 0 HA PRO A 23 6.140 6.125 -13.954 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.116 3.166 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.282 4.047 -14.261 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.033 3.387 -11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.266 5.063 -12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.912 3.890 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.009 5.150 -10.257 1.00 0.00 H new ATOM 367 N ARG A 24 4.045 5.738 -14.759 1.00 0.00 N ATOM 368 CA ARG A 24 2.742 5.694 -15.373 1.00 0.00 C ATOM 369 C ARG A 24 1.669 5.832 -14.311 1.00 0.00 C ATOM 370 O ARG A 24 1.427 6.932 -13.812 1.00 0.00 O ATOM 371 CB ARG A 24 2.520 4.438 -16.263 1.00 0.00 C ATOM 372 CG ARG A 24 3.282 4.420 -17.596 1.00 0.00 C ATOM 373 CD ARG A 24 4.771 4.164 -17.418 1.00 0.00 C ATOM 374 NE ARG A 24 5.021 2.842 -16.830 1.00 0.00 N ATOM 375 CZ ARG A 24 6.205 2.382 -16.423 1.00 0.00 C ATOM 376 NH1 ARG A 24 7.305 3.101 -16.610 1.00 0.00 N ATOM 377 NH2 ARG A 24 6.285 1.180 -15.869 1.00 0.00 N ATOM 0 H ARG A 24 4.648 6.452 -15.167 1.00 0.00 H new ATOM 0 HA ARG A 24 2.676 6.540 -16.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.806 3.555 -15.691 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.454 4.349 -16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.860 3.649 -18.241 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.140 5.374 -18.104 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.272 4.235 -18.384 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.200 4.935 -16.779 1.00 0.00 H new ATOM 0 HE ARG A 24 4.219 2.221 -16.723 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.248 4.011 -17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.207 2.744 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.444 0.613 -15.756 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.187 0.822 -15.556 1.00 0.00 H new ATOM 391 N HIS A 25 1.137 4.707 -13.912 1.00 0.00 N ATOM 392 CA HIS A 25 0.138 4.574 -12.856 1.00 0.00 C ATOM 393 C HIS A 25 -0.373 3.145 -12.847 1.00 0.00 C ATOM 394 O HIS A 25 -1.363 2.822 -13.492 1.00 0.00 O ATOM 395 CB HIS A 25 -1.048 5.557 -13.002 1.00 0.00 C ATOM 396 CG HIS A 25 -1.964 5.580 -11.809 1.00 0.00 C ATOM 397 ND1 HIS A 25 -3.248 5.108 -11.837 1.00 0.00 N ATOM 398 CD2 HIS A 25 -1.770 6.045 -10.551 1.00 0.00 C ATOM 399 CE1 HIS A 25 -3.811 5.279 -10.664 1.00 0.00 C ATOM 400 NE2 HIS A 25 -2.934 5.844 -9.861 1.00 0.00 N ATOM 0 H HIS A 25 1.392 3.811 -14.326 1.00 0.00 H new ATOM 0 HA HIS A 25 0.624 4.824 -11.913 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.658 6.561 -13.169 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.625 5.288 -13.887 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -3.700 4.686 -12.648 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.865 6.491 -10.165 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.822 5.003 -10.402 1.00 0.00 H new ATOM 409 N PHE A 26 0.355 2.292 -12.208 1.00 0.00 N ATOM 410 CA PHE A 26 -0.031 0.901 -12.079 1.00 0.00 C ATOM 411 C PHE A 26 -0.507 0.630 -10.679 1.00 0.00 C ATOM 412 O PHE A 26 -0.226 1.429 -9.759 1.00 0.00 O ATOM 413 CB PHE A 26 1.123 -0.034 -12.470 1.00 0.00 C ATOM 414 CG PHE A 26 2.476 0.371 -11.950 1.00 0.00 C ATOM 415 CD1 PHE A 26 2.768 0.353 -10.596 1.00 0.00 C ATOM 416 CD2 PHE A 26 3.455 0.759 -12.834 1.00 0.00 C ATOM 417 CE1 PHE A 26 4.006 0.717 -10.132 1.00 0.00 C ATOM 418 CE2 PHE A 26 4.696 1.127 -12.394 1.00 0.00 C ATOM 419 CZ PHE A 26 4.983 1.111 -11.035 1.00 0.00 C ATOM 0 H PHE A 26 1.238 2.526 -11.755 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.852 0.701 -12.767 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.897 -1.037 -12.107 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.171 -0.092 -13.557 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.007 0.047 -9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.240 0.773 -13.892 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.219 0.697 -9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.453 1.430 -13.103 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.961 1.404 -10.683 1.00 0.00 H new ATOM 429 N ASN A 27 -1.205 -0.478 -10.473 1.00 0.00 N ATOM 430 CA ASN A 27 -1.717 -0.755 -9.154 1.00 0.00 C ATOM 431 C ASN A 27 -1.502 -2.256 -8.782 1.00 0.00 C ATOM 432 O ASN A 27 -2.384 -3.089 -8.992 1.00 0.00 O ATOM 433 CB ASN A 27 -3.280 -0.319 -8.989 1.00 0.00 C ATOM 434 CG ASN A 27 -3.525 1.155 -9.273 1.00 0.00 C ATOM 435 OD1 ASN A 27 -3.393 2.020 -8.398 1.00 0.00 O ATOM 436 ND2 ASN A 27 -3.925 1.454 -10.487 1.00 0.00 N ATOM 0 H ASN A 27 -1.421 -1.177 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.150 -0.143 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.891 -0.919 -9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.609 -0.546 -7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.136 2.422 -10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.024 0.719 -11.187 1.00 0.00 H new ATOM 443 N PRO A 28 -0.269 -2.611 -8.359 1.00 0.00 N ATOM 444 CA PRO A 28 0.063 -3.922 -7.776 1.00 0.00 C ATOM 445 C PRO A 28 -0.840 -4.436 -6.655 1.00 0.00 C ATOM 446 O PRO A 28 -1.247 -5.595 -6.673 1.00 0.00 O ATOM 447 CB PRO A 28 1.448 -3.706 -7.196 1.00 0.00 C ATOM 448 CG PRO A 28 2.076 -2.683 -8.065 1.00 0.00 C ATOM 449 CD PRO A 28 0.957 -1.852 -8.644 1.00 0.00 C ATOM 0 HA PRO A 28 -0.042 -4.676 -8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.394 -3.365 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.024 -4.631 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.763 -2.060 -7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.657 -3.154 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.924 -0.863 -8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.089 -1.704 -9.716 1.00 0.00 H new ATOM 457 N VAL A 29 -1.185 -3.591 -5.727 1.00 0.00 N ATOM 458 CA VAL A 29 -1.777 -4.058 -4.494 1.00 0.00 C ATOM 459 C VAL A 29 -3.263 -3.830 -4.390 1.00 0.00 C ATOM 460 O VAL A 29 -3.870 -3.061 -5.145 1.00 0.00 O ATOM 461 CB VAL A 29 -1.033 -3.530 -3.235 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.398 -4.065 -3.212 1.00 0.00 C ATOM 463 CG2 VAL A 29 -1.022 -2.006 -3.176 1.00 0.00 C ATOM 0 H VAL A 29 -1.070 -2.580 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.647 -5.140 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.572 -3.889 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.912 -3.690 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.379 -5.155 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.925 -3.732 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.492 -1.680 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.519 -1.611 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.047 -1.636 -3.146 1.00 0.00 H new ATOM 473 N CYS A 30 -3.821 -4.480 -3.437 1.00 0.00 N ATOM 474 CA CYS A 30 -5.217 -4.527 -3.213 1.00 0.00 C ATOM 475 C CYS A 30 -5.457 -3.922 -1.892 1.00 0.00 C ATOM 476 O CYS A 30 -4.695 -4.127 -1.020 1.00 0.00 O ATOM 477 CB CYS A 30 -5.648 -5.983 -3.192 1.00 0.00 C ATOM 478 SG CYS A 30 -5.327 -6.865 -4.763 1.00 0.00 S ATOM 0 H CYS A 30 -3.288 -5.022 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.773 -3.998 -3.987 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.126 -6.496 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.713 -6.035 -2.967 1.00 0.00 H new ATOM 483 N GLY A 31 -6.483 -3.209 -1.753 1.00 0.00 N ATOM 484 CA GLY A 31 -6.751 -2.507 -0.519 1.00 0.00 C ATOM 485 C GLY A 31 -7.887 -3.015 0.289 1.00 0.00 C ATOM 486 O GLY A 31 -8.964 -3.315 -0.250 1.00 0.00 O ATOM 0 H GLY A 31 -7.187 -3.073 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.852 -2.539 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.939 -1.459 -0.754 1.00 0.00 H new ATOM 490 N SER A 32 -7.675 -3.089 1.599 1.00 0.00 N ATOM 491 CA SER A 32 -8.720 -3.474 2.501 1.00 0.00 C ATOM 492 C SER A 32 -9.712 -2.330 2.663 1.00 0.00 C ATOM 493 O SER A 32 -10.901 -2.547 2.936 1.00 0.00 O ATOM 494 CB SER A 32 -8.162 -3.885 3.829 1.00 0.00 C ATOM 495 OG SER A 32 -7.268 -4.961 3.682 1.00 0.00 O ATOM 0 H SER A 32 -6.782 -2.884 2.047 1.00 0.00 H new ATOM 0 HA SER A 32 -9.240 -4.335 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.650 -3.041 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.974 -4.170 4.498 1.00 0.00 H new ATOM 0 HG SER A 32 -6.367 -4.616 3.508 1.00 0.00 H new ATOM 501 N ASP A 33 -9.224 -1.097 2.461 1.00 0.00 N ATOM 502 CA ASP A 33 -10.081 0.087 2.466 1.00 0.00 C ATOM 503 C ASP A 33 -10.636 0.360 1.066 1.00 0.00 C ATOM 504 O ASP A 33 -10.993 1.485 0.716 1.00 0.00 O ATOM 505 CB ASP A 33 -9.389 1.321 3.102 1.00 0.00 C ATOM 506 CG ASP A 33 -7.927 1.470 2.758 1.00 0.00 C ATOM 507 OD1 ASP A 33 -7.590 1.948 1.634 1.00 0.00 O ATOM 508 OD2 ASP A 33 -7.078 1.086 3.628 1.00 0.00 O ATOM 0 H ASP A 33 -8.238 -0.899 2.292 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.933 -0.121 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.917 2.220 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.489 1.259 4.186 1.00 0.00 H new ATOM 513 N MET A 34 -10.728 -0.732 0.302 1.00 0.00 N ATOM 514 CA MET A 34 -11.368 -0.813 -1.006 1.00 0.00 C ATOM 515 C MET A 34 -10.840 0.140 -2.038 1.00 0.00 C ATOM 516 O MET A 34 -11.439 1.185 -2.322 1.00 0.00 O ATOM 517 CB MET A 34 -12.896 -0.773 -0.920 1.00 0.00 C ATOM 518 CG MET A 34 -13.499 -1.993 -0.258 1.00 0.00 C ATOM 519 SD MET A 34 -13.063 -3.516 -1.127 1.00 0.00 S ATOM 520 CE MET A 34 -13.898 -4.728 -0.109 1.00 0.00 C ATOM 0 H MET A 34 -10.337 -1.627 0.598 1.00 0.00 H new ATOM 0 HA MET A 34 -11.083 -1.800 -1.371 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.197 0.116 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 34 -13.305 -0.676 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.155 -2.053 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.584 -1.890 -0.227 1.00 0.00 H new ATOM 0 HE1 MET A 34 -13.725 -5.725 -0.515 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.510 -4.678 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.968 -4.520 -0.100 1.00 0.00 H new ATOM 530 N SER A 35 -9.696 -0.198 -2.560 1.00 0.00 N ATOM 531 CA SER A 35 -9.052 0.529 -3.616 1.00 0.00 C ATOM 532 C SER A 35 -7.990 -0.381 -4.216 1.00 0.00 C ATOM 533 O SER A 35 -7.322 -1.095 -3.491 1.00 0.00 O ATOM 534 CB SER A 35 -8.365 1.813 -3.076 1.00 0.00 C ATOM 535 OG SER A 35 -9.276 2.685 -2.418 1.00 0.00 O ATOM 0 H SER A 35 -9.168 -1.015 -2.252 1.00 0.00 H new ATOM 0 HA SER A 35 -9.794 0.827 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.572 1.532 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.893 2.343 -3.903 1.00 0.00 H new ATOM 0 HG SER A 35 -10.194 2.383 -2.581 1.00 0.00 H new ATOM 541 N THR A 36 -7.896 -0.421 -5.502 1.00 0.00 N ATOM 542 CA THR A 36 -6.812 -1.111 -6.152 1.00 0.00 C ATOM 543 C THR A 36 -5.723 -0.067 -6.343 1.00 0.00 C ATOM 544 O THR A 36 -5.946 0.953 -7.004 1.00 0.00 O ATOM 545 CB THR A 36 -7.269 -1.688 -7.500 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.475 -2.439 -7.285 1.00 0.00 O ATOM 547 CG2 THR A 36 -6.211 -2.617 -8.067 1.00 0.00 C ATOM 0 H THR A 36 -8.561 0.019 -6.138 1.00 0.00 H new ATOM 0 HA THR A 36 -6.455 -1.955 -5.562 1.00 0.00 H new ATOM 0 HB THR A 36 -7.436 -0.872 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.783 -2.814 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.552 -3.017 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.283 -2.064 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.037 -3.438 -7.371 1.00 0.00 H new ATOM 555 N TYR A 37 -4.597 -0.264 -5.714 1.00 0.00 N ATOM 556 CA TYR A 37 -3.592 0.768 -5.644 1.00 0.00 C ATOM 557 C TYR A 37 -2.201 0.235 -5.528 1.00 0.00 C ATOM 558 O TYR A 37 -1.968 -0.931 -5.765 1.00 0.00 O ATOM 559 CB TYR A 37 -3.896 1.824 -4.533 1.00 0.00 C ATOM 560 CG TYR A 37 -4.408 1.374 -3.232 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.384 0.069 -2.839 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.928 2.305 -2.375 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.872 -0.298 -1.649 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.411 1.951 -1.179 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.399 0.645 -0.804 1.00 0.00 C ATOM 566 OH TYR A 37 -5.911 0.271 0.417 1.00 0.00 O ATOM 0 H TYR A 37 -4.349 -1.132 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.643 1.282 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.976 2.379 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.618 2.531 -4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.966 -0.678 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.949 3.344 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.851 -1.337 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.810 2.702 -0.513 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.591 0.918 0.698 1.00 0.00 H new ATOM 576 N ALA A 38 -1.286 1.156 -5.305 1.00 0.00 N ATOM 577 CA ALA A 38 0.101 0.961 -4.941 1.00 0.00 C ATOM 578 C ALA A 38 0.674 2.313 -5.107 1.00 0.00 C ATOM 579 O ALA A 38 -0.071 3.269 -5.088 1.00 0.00 O ATOM 580 CB ALA A 38 0.855 -0.058 -5.860 1.00 0.00 C ATOM 0 H ALA A 38 -1.515 2.147 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 38 0.195 0.541 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.889 -0.153 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.365 -1.030 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.837 0.298 -6.890 1.00 0.00 H new ATOM 586 N ASN A 39 1.945 2.395 -5.209 1.00 0.00 N ATOM 587 CA ASN A 39 2.666 3.596 -5.595 1.00 0.00 C ATOM 588 C ASN A 39 2.688 4.737 -4.578 1.00 0.00 C ATOM 589 O ASN A 39 1.963 4.738 -3.575 1.00 0.00 O ATOM 590 CB ASN A 39 2.427 4.060 -7.084 1.00 0.00 C ATOM 591 CG ASN A 39 1.097 4.770 -7.315 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.019 5.944 -7.133 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.056 4.075 -7.746 1.00 0.00 N ATOM 0 H ASN A 39 2.561 1.603 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 39 3.698 3.247 -5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.237 4.727 -7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.478 3.188 -7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.831 4.545 -7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.141 3.070 -7.896 1.00 0.00 H new ATOM 600 N GLU A 40 3.532 5.706 -4.875 1.00 0.00 N ATOM 601 CA GLU A 40 3.842 6.839 -4.012 1.00 0.00 C ATOM 602 C GLU A 40 2.800 7.938 -4.205 1.00 0.00 C ATOM 603 O GLU A 40 2.824 8.960 -3.553 1.00 0.00 O ATOM 604 CB GLU A 40 5.227 7.360 -4.422 1.00 0.00 C ATOM 605 CG GLU A 40 6.210 7.601 -3.289 1.00 0.00 C ATOM 606 CD GLU A 40 5.795 8.680 -2.327 1.00 0.00 C ATOM 607 OE1 GLU A 40 6.022 9.870 -2.614 1.00 0.00 O ATOM 608 OE2 GLU A 40 5.295 8.360 -1.248 1.00 0.00 O ATOM 0 H GLU A 40 4.043 5.730 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 40 3.835 6.539 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.671 6.646 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.095 8.295 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.345 6.671 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.179 7.863 -3.714 1.00 0.00 H new ATOM 615 N CYS A 41 1.875 7.691 -5.074 1.00 0.00 N ATOM 616 CA CYS A 41 0.887 8.677 -5.428 1.00 0.00 C ATOM 617 C CYS A 41 -0.466 8.126 -5.097 1.00 0.00 C ATOM 618 O CYS A 41 -1.402 8.868 -4.790 1.00 0.00 O ATOM 619 CB CYS A 41 0.992 9.034 -6.922 1.00 0.00 C ATOM 620 SG CYS A 41 2.677 9.495 -7.464 1.00 0.00 S ATOM 0 H CYS A 41 1.776 6.801 -5.563 1.00 0.00 H new ATOM 0 HA CYS A 41 1.054 9.595 -4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.652 8.183 -7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.315 9.861 -7.135 1.00 0.00 H new ATOM 625 N THR A 42 -0.574 6.821 -5.129 1.00 0.00 N ATOM 626 CA THR A 42 -1.773 6.221 -4.766 1.00 0.00 C ATOM 627 C THR A 42 -1.707 5.679 -3.319 1.00 0.00 C ATOM 628 O THR A 42 -2.426 6.222 -2.473 1.00 0.00 O ATOM 629 CB THR A 42 -2.299 5.212 -5.807 1.00 0.00 C ATOM 630 OG1 THR A 42 -2.145 5.799 -7.127 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.784 4.986 -5.590 1.00 0.00 C ATOM 0 H THR A 42 0.169 6.180 -5.406 1.00 0.00 H new ATOM 0 HA THR A 42 -2.538 6.997 -4.765 1.00 0.00 H new ATOM 0 HB THR A 42 -1.751 4.274 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.753 5.356 -7.755 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.155 4.273 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.949 4.592 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.316 5.931 -5.700 1.00 0.00 H new ATOM 639 N LEU A 43 -0.785 4.687 -2.941 1.00 0.00 N ATOM 640 CA LEU A 43 -0.861 4.310 -1.496 1.00 0.00 C ATOM 641 C LEU A 43 -0.204 5.309 -0.741 1.00 0.00 C ATOM 642 O LEU A 43 -0.781 5.881 0.008 1.00 0.00 O ATOM 643 CB LEU A 43 -0.221 3.038 -0.963 1.00 0.00 C ATOM 644 CG LEU A 43 -0.816 1.728 -1.283 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.106 0.626 -0.798 1.00 0.00 C ATOM 646 CD2 LEU A 43 -2.118 1.594 -0.571 1.00 0.00 C ATOM 0 H LEU A 43 -0.096 4.215 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.938 4.170 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.810 3.021 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.186 3.122 0.123 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.962 1.651 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.331 -0.344 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.073 0.717 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.240 0.712 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.562 0.626 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.954 1.668 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.791 2.389 -0.891 1.00 0.00 H new ATOM 658 N CYS A 44 1.047 5.515 -0.982 1.00 0.00 N ATOM 659 CA CYS A 44 1.821 6.403 -0.124 1.00 0.00 C ATOM 660 C CYS A 44 1.274 7.789 0.198 1.00 0.00 C ATOM 661 O CYS A 44 1.496 8.292 1.284 1.00 0.00 O ATOM 662 CB CYS A 44 3.332 6.203 -0.134 1.00 0.00 C ATOM 663 SG CYS A 44 3.864 4.747 0.853 1.00 0.00 S ATOM 0 H CYS A 44 1.567 5.095 -1.752 1.00 0.00 H new ATOM 0 HA CYS A 44 1.565 5.977 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.671 6.082 -1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.815 7.098 0.258 1.00 0.00 H new ATOM 668 N MET A 45 0.463 8.334 -0.679 1.00 0.00 N ATOM 669 CA MET A 45 -0.279 9.548 -0.336 1.00 0.00 C ATOM 670 C MET A 45 -1.355 9.142 0.677 1.00 0.00 C ATOM 671 O MET A 45 -1.365 9.580 1.866 1.00 0.00 O ATOM 672 CB MET A 45 -0.937 10.135 -1.585 1.00 0.00 C ATOM 673 CG MET A 45 0.012 10.636 -2.650 1.00 0.00 C ATOM 674 SD MET A 45 1.052 12.053 -2.188 1.00 0.00 S ATOM 675 CE MET A 45 2.465 11.263 -1.406 1.00 0.00 C ATOM 0 H MET A 45 0.295 7.974 -1.618 1.00 0.00 H new ATOM 0 HA MET A 45 0.387 10.304 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.581 9.374 -2.026 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.581 10.960 -1.281 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.664 9.813 -2.944 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.572 10.910 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.583 11.648 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.304 10.186 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.366 11.476 -1.982 1.00 0.00 H new ATOM 685 N LYS A 46 -2.191 8.219 0.217 1.00 0.00 N ATOM 686 CA LYS A 46 -3.260 7.612 0.978 1.00 0.00 C ATOM 687 C LYS A 46 -2.758 7.060 2.293 1.00 0.00 C ATOM 688 O LYS A 46 -3.422 7.177 3.306 1.00 0.00 O ATOM 689 CB LYS A 46 -3.810 6.447 0.164 1.00 0.00 C ATOM 690 CG LYS A 46 -5.268 6.172 0.343 1.00 0.00 C ATOM 691 CD LYS A 46 -5.829 5.404 -0.835 1.00 0.00 C ATOM 692 CE LYS A 46 -7.347 5.147 -0.726 1.00 0.00 C ATOM 693 NZ LYS A 46 -7.753 4.386 0.489 1.00 0.00 N ATOM 0 H LYS A 46 -2.135 7.863 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.018 8.369 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.621 6.642 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.253 5.548 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.423 5.602 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.807 7.113 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.626 5.958 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.310 4.449 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.867 6.105 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.676 4.600 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.789 4.299 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.327 3.438 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.427 4.889 1.339 1.00 0.00 H new ATOM 707 N ILE A 47 -1.624 6.458 2.267 1.00 0.00 N ATOM 708 CA ILE A 47 -1.186 5.749 3.360 1.00 0.00 C ATOM 709 C ILE A 47 -0.707 6.640 4.509 1.00 0.00 C ATOM 710 O ILE A 47 -0.876 6.286 5.673 1.00 0.00 O ATOM 711 CB ILE A 47 -0.192 4.622 3.019 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.350 3.535 4.025 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.249 5.125 3.063 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.477 2.300 3.746 1.00 0.00 C ATOM 0 H ILE A 47 -0.987 6.458 1.470 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.075 5.239 3.730 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.402 4.262 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.080 3.924 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.401 3.250 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.927 4.308 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.375 5.931 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.474 5.496 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.301 1.560 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.193 1.882 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.534 2.566 3.729 1.00 0.00 H new ATOM 726 N ARG A 48 -0.080 7.800 4.174 1.00 0.00 N ATOM 727 CA ARG A 48 0.404 8.679 5.231 1.00 0.00 C ATOM 728 C ARG A 48 -0.782 9.197 5.980 1.00 0.00 C ATOM 729 O ARG A 48 -0.772 9.243 7.218 1.00 0.00 O ATOM 730 CB ARG A 48 1.203 9.873 4.681 1.00 0.00 C ATOM 731 CG ARG A 48 2.406 9.517 3.826 1.00 0.00 C ATOM 732 CD ARG A 48 3.432 8.679 4.560 1.00 0.00 C ATOM 733 NE ARG A 48 4.539 8.324 3.669 1.00 0.00 N ATOM 734 CZ ARG A 48 5.686 7.754 4.037 1.00 0.00 C ATOM 735 NH1 ARG A 48 5.927 7.493 5.311 1.00 0.00 N ATOM 736 NH2 ARG A 48 6.597 7.452 3.120 1.00 0.00 N ATOM 0 H ARG A 48 0.089 8.123 3.221 1.00 0.00 H new ATOM 0 HA ARG A 48 1.073 8.106 5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.531 10.496 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.543 10.478 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.068 8.975 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.879 10.434 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.812 9.231 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.962 7.774 4.944 1.00 0.00 H new ATOM 0 HE ARG A 48 4.421 8.532 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.232 7.728 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.807 7.057 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.418 7.656 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.476 7.016 3.399 1.00 0.00 H new ATOM 750 N GLU A 49 -1.834 9.517 5.217 1.00 0.00 N ATOM 751 CA GLU A 49 -3.119 9.971 5.772 1.00 0.00 C ATOM 752 C GLU A 49 -4.043 10.409 4.676 1.00 0.00 C ATOM 753 O GLU A 49 -5.011 11.146 4.923 1.00 0.00 O ATOM 754 CB GLU A 49 -2.945 11.133 6.747 1.00 0.00 C ATOM 755 CG GLU A 49 -2.242 12.349 6.142 1.00 0.00 C ATOM 756 CD GLU A 49 -2.108 13.494 7.098 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.052 14.301 7.203 1.00 0.00 O ATOM 758 OE2 GLU A 49 -1.056 13.631 7.733 1.00 0.00 O ATOM 0 H GLU A 49 -1.821 9.469 4.198 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.542 9.121 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.926 11.437 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.375 10.788 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.250 12.053 5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.797 12.681 5.264 1.00 0.00 H new ATOM 765 N GLY A 50 -3.795 9.946 3.481 1.00 0.00 N ATOM 766 CA GLY A 50 -4.689 10.279 2.419 1.00 0.00 C ATOM 767 C GLY A 50 -5.947 9.512 2.631 1.00 0.00 C ATOM 768 O GLY A 50 -7.036 9.925 2.212 1.00 0.00 O ATOM 0 H GLY A 50 -3.004 9.354 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.891 11.350 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.247 10.030 1.454 1.00 0.00 H new ATOM 772 N GLY A 51 -5.804 8.363 3.289 1.00 0.00 N ATOM 773 CA GLY A 51 -6.945 7.681 3.738 1.00 0.00 C ATOM 774 C GLY A 51 -6.825 7.303 5.189 1.00 0.00 C ATOM 775 O GLY A 51 -7.469 7.875 6.059 1.00 0.00 O ATOM 0 H GLY A 51 -4.912 7.917 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.825 8.308 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.093 6.783 3.138 1.00 0.00 H new ATOM 779 N HIS A 52 -5.979 6.363 5.430 1.00 0.00 N ATOM 780 CA HIS A 52 -5.792 5.718 6.693 1.00 0.00 C ATOM 781 C HIS A 52 -4.386 5.245 6.610 1.00 0.00 C ATOM 782 O HIS A 52 -3.714 5.560 5.639 1.00 0.00 O ATOM 783 CB HIS A 52 -6.709 4.462 6.835 1.00 0.00 C ATOM 784 CG HIS A 52 -8.204 4.687 6.772 1.00 0.00 C ATOM 785 ND1 HIS A 52 -8.980 4.971 7.871 1.00 0.00 N ATOM 786 CD2 HIS A 52 -9.058 4.626 5.725 1.00 0.00 C ATOM 787 CE1 HIS A 52 -10.244 5.073 7.497 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.316 4.868 6.201 1.00 0.00 N ATOM 0 H HIS A 52 -5.358 5.998 4.708 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.017 6.380 7.529 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.440 3.757 6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.479 3.982 7.786 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.793 4.423 4.698 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.078 5.289 8.148 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.169 4.886 5.643 1.00 0.00 H new ATOM 797 N ASN A 53 -3.936 4.491 7.544 1.00 0.00 N ATOM 798 CA ASN A 53 -2.714 3.749 7.318 1.00 0.00 C ATOM 799 C ASN A 53 -3.112 2.464 6.623 1.00 0.00 C ATOM 800 O ASN A 53 -3.485 1.476 7.272 1.00 0.00 O ATOM 801 CB ASN A 53 -1.891 3.469 8.593 1.00 0.00 C ATOM 802 CG ASN A 53 -1.107 4.701 9.135 1.00 0.00 C ATOM 803 OD1 ASN A 53 -0.062 4.533 9.775 1.00 0.00 O ATOM 804 ND2 ASN A 53 -1.543 5.940 8.847 1.00 0.00 N ATOM 0 H ASN A 53 -4.370 4.361 8.458 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.044 4.353 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.562 3.109 9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.184 2.666 8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.011 6.753 9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.406 6.067 8.319 1.00 0.00 H new ATOM 811 N ILE A 54 -3.168 2.550 5.295 1.00 0.00 N ATOM 812 CA ILE A 54 -3.591 1.468 4.408 1.00 0.00 C ATOM 813 C ILE A 54 -3.032 0.125 4.746 1.00 0.00 C ATOM 814 O ILE A 54 -1.833 -0.041 4.977 1.00 0.00 O ATOM 815 CB ILE A 54 -3.383 1.768 2.873 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.476 2.716 2.306 1.00 0.00 C ATOM 817 CG2 ILE A 54 -3.427 0.462 2.101 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.756 3.968 3.092 1.00 0.00 C ATOM 0 H ILE A 54 -2.913 3.400 4.792 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.664 1.426 4.596 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.417 2.261 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.185 3.006 1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.405 2.152 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.284 0.662 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.635 -0.197 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.394 -0.018 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.536 4.544 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.087 3.701 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.848 4.568 3.157 1.00 0.00 H new ATOM 830 N LYS A 55 -3.916 -0.823 4.758 1.00 0.00 N ATOM 831 CA LYS A 55 -3.581 -2.153 4.892 1.00 0.00 C ATOM 832 C LYS A 55 -4.052 -2.778 3.636 1.00 0.00 C ATOM 833 O LYS A 55 -5.246 -2.730 3.322 1.00 0.00 O ATOM 834 CB LYS A 55 -4.181 -2.810 6.161 1.00 0.00 C ATOM 835 CG LYS A 55 -5.342 -2.070 6.845 1.00 0.00 C ATOM 836 CD LYS A 55 -6.579 -1.991 5.991 1.00 0.00 C ATOM 837 CE LYS A 55 -7.559 -0.948 6.477 1.00 0.00 C ATOM 838 NZ LYS A 55 -7.052 0.426 6.253 1.00 0.00 N ATOM 0 H LYS A 55 -4.918 -0.657 4.670 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.509 -2.287 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.526 -3.809 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.380 -2.933 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.585 -2.574 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.020 -1.061 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.292 -1.764 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.069 -2.965 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.510 -1.074 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.751 -1.096 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.778 1.114 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.193 0.576 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.828 0.553 5.245 1.00 0.00 H new ATOM 852 N ILE A 56 -3.133 -3.206 2.838 1.00 0.00 N ATOM 853 CA ILE A 56 -3.501 -3.785 1.627 1.00 0.00 C ATOM 854 C ILE A 56 -4.099 -5.149 1.901 1.00 0.00 C ATOM 855 O ILE A 56 -3.609 -5.892 2.770 1.00 0.00 O ATOM 856 CB ILE A 56 -2.354 -3.909 0.634 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.188 -4.729 1.170 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.928 -2.535 0.139 1.00 0.00 C ATOM 859 CD1 ILE A 56 0.031 -4.648 0.291 1.00 0.00 C ATOM 0 H ILE A 56 -2.130 -3.159 3.017 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.230 -3.122 1.160 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.723 -4.472 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.933 -4.380 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.495 -5.771 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.107 -2.642 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.770 -2.048 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.601 -1.929 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.831 -5.251 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.212 -5.023 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.358 -3.611 0.217 1.00 0.00 H new ATOM 871 N ILE A 57 -5.127 -5.477 1.197 1.00 0.00 N ATOM 872 CA ILE A 57 -5.822 -6.702 1.437 1.00 0.00 C ATOM 873 C ILE A 57 -5.076 -7.827 0.790 1.00 0.00 C ATOM 874 O ILE A 57 -5.007 -8.946 1.291 1.00 0.00 O ATOM 875 CB ILE A 57 -7.305 -6.618 0.980 1.00 0.00 C ATOM 876 CG1 ILE A 57 -8.139 -7.743 1.523 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.451 -6.532 -0.527 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.620 -7.626 1.200 1.00 0.00 C ATOM 0 H ILE A 57 -5.511 -4.909 0.442 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.859 -6.894 2.509 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.683 -5.687 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.764 -8.685 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.016 -7.784 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.508 -6.476 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.939 -5.641 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.011 -7.417 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.154 -8.475 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.013 -6.701 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.757 -7.617 0.119 1.00 0.00 H new ATOM 890 N ARG A 58 -4.502 -7.503 -0.294 1.00 0.00 N ATOM 891 CA ARG A 58 -3.671 -8.354 -0.967 1.00 0.00 C ATOM 892 C ARG A 58 -2.407 -7.619 -1.290 1.00 0.00 C ATOM 893 O ARG A 58 -2.448 -6.504 -1.813 1.00 0.00 O ATOM 894 CB ARG A 58 -4.336 -8.983 -2.185 1.00 0.00 C ATOM 895 CG ARG A 58 -4.454 -10.473 -2.054 1.00 0.00 C ATOM 896 CD ARG A 58 -3.084 -11.057 -2.015 1.00 0.00 C ATOM 897 NE ARG A 58 -2.516 -11.232 -3.365 1.00 0.00 N ATOM 898 CZ ARG A 58 -1.294 -11.725 -3.657 1.00 0.00 C ATOM 899 NH1 ARG A 58 -0.401 -11.962 -2.701 1.00 0.00 N ATOM 900 NH2 ARG A 58 -0.980 -11.970 -4.916 1.00 0.00 N ATOM 0 H ARG A 58 -4.615 -6.593 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.427 -9.206 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.328 -8.551 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.759 -8.742 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.001 -10.731 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.016 -10.883 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.431 -10.410 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.116 -12.021 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.102 -10.954 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.634 -11.771 -1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.517 -12.335 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.658 -11.787 -5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.059 -12.343 -5.149 1.00 0.00 H new ATOM 914 N ASN A 59 -1.294 -8.222 -0.955 1.00 0.00 N ATOM 915 CA ASN A 59 0.015 -7.611 -1.125 1.00 0.00 C ATOM 916 C ASN A 59 0.504 -7.643 -2.562 1.00 0.00 C ATOM 917 O ASN A 59 1.635 -7.238 -2.852 1.00 0.00 O ATOM 918 CB ASN A 59 1.037 -8.291 -0.228 1.00 0.00 C ATOM 919 CG ASN A 59 1.374 -9.702 -0.687 1.00 0.00 C ATOM 920 OD1 ASN A 59 0.672 -10.660 -0.359 1.00 0.00 O ATOM 921 ND2 ASN A 59 2.449 -9.852 -1.409 1.00 0.00 N ATOM 0 H ASN A 59 -1.263 -9.159 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.096 -6.564 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.948 -7.694 -0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.653 -8.327 0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.730 -10.782 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.009 -9.039 -1.664 1.00 0.00 H new ATOM 928 N GLY A 60 -0.314 -8.103 -3.434 1.00 0.00 N ATOM 929 CA GLY A 60 0.056 -8.211 -4.785 1.00 0.00 C ATOM 930 C GLY A 60 -1.134 -8.545 -5.609 1.00 0.00 C ATOM 931 O GLY A 60 -2.255 -8.287 -5.164 1.00 0.00 O ATOM 0 H GLY A 60 -1.262 -8.415 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.495 -7.274 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.818 -8.981 -4.902 1.00 0.00 H new ATOM 935 N PRO A 61 -0.935 -9.187 -6.770 1.00 0.00 N ATOM 936 CA PRO A 61 -2.002 -9.493 -7.730 1.00 0.00 C ATOM 937 C PRO A 61 -3.216 -10.199 -7.119 1.00 0.00 C ATOM 938 O PRO A 61 -3.098 -11.303 -6.568 1.00 0.00 O ATOM 939 CB PRO A 61 -1.319 -10.430 -8.748 1.00 0.00 C ATOM 940 CG PRO A 61 -0.028 -10.820 -8.125 1.00 0.00 C ATOM 941 CD PRO A 61 0.362 -9.681 -7.253 1.00 0.00 C ATOM 0 HA PRO A 61 -2.406 -8.572 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.936 -11.305 -8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.158 -9.924 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.135 -11.737 -7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.731 -11.009 -8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.005 -10.000 -6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.907 -8.916 -7.806 1.00 0.00 H new ATOM 949 N CYS A 62 -4.337 -9.530 -7.144 1.00 0.00 N ATOM 950 CA CYS A 62 -5.593 -10.138 -6.789 1.00 0.00 C ATOM 951 C CYS A 62 -6.071 -10.964 -7.964 1.00 0.00 C ATOM 952 O CYS A 62 -6.500 -10.379 -8.977 1.00 0.00 O ATOM 953 CB CYS A 62 -6.658 -9.096 -6.375 1.00 0.00 C ATOM 954 SG CYS A 62 -6.522 -8.492 -4.655 1.00 0.00 S ATOM 955 OXT CYS A 62 -5.934 -12.206 -7.924 1.00 0.00 O ATOM 0 H CYS A 62 -4.407 -8.548 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.440 -10.774 -5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.591 -8.243 -7.050 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.646 -9.535 -6.513 1.00 0.00 H new