USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 GLN : amide:sc= -3.71 K(o=-3.7,f=-5.5!) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 165:sc= -1.13 (180deg=-1.46!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000662) USER MOD Single : A 17 TYR OH : rot -125:sc= 0.907 USER MOD Single : A 20 THR OG1 : rot -38:sc= 0.253 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.01 (180deg=0.00731) USER MOD Single : A 30 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= 0.641 (180deg=-0.848!) USER MOD Single : A 33 THR OG1 : rot 154:sc= 0.0664 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 74:sc= 0.183 USER MOD Single : A 63 ASN : amide:sc= -2.13! X(o=-2.1!,f=-2.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -4.5! C(o=-4.5!,f=-6.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 74 GLN : amide:sc= -0.0507 K(o=-0.051,f=-1.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.392 -11.560 -0.786 1.00 0.00 N ATOM 119 CA LEU A 11 3.662 -10.630 0.067 1.00 0.00 C ATOM 120 C LEU A 11 4.460 -10.304 1.326 1.00 0.00 C ATOM 121 O LEU A 11 4.810 -9.150 1.569 1.00 0.00 O ATOM 122 CB LEU A 11 2.302 -11.217 0.449 1.00 0.00 C ATOM 123 CG LEU A 11 1.168 -10.991 -0.552 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.019 -11.882 -0.223 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.751 -9.527 -0.564 1.00 0.00 C ATOM 0 HA LEU A 11 3.508 -9.707 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.421 -12.290 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.003 -10.794 1.408 1.00 0.00 H new ATOM 0 HG LEU A 11 1.529 -11.254 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.816 -11.708 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.288 -12.927 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.381 -11.651 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.057 -9.385 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.409 -9.238 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.602 -8.909 -0.848 1.00 0.00 H new ATOM 137 N GLU A 12 4.745 -11.331 2.121 1.00 0.00 N ATOM 138 CA GLU A 12 5.504 -11.153 3.354 1.00 0.00 C ATOM 139 C GLU A 12 6.604 -10.112 3.171 1.00 0.00 C ATOM 140 O GLU A 12 6.931 -9.369 4.097 1.00 0.00 O ATOM 141 CB GLU A 12 6.114 -12.483 3.800 1.00 0.00 C ATOM 142 CG GLU A 12 7.495 -12.744 3.221 1.00 0.00 C ATOM 143 CD GLU A 12 8.133 -14.001 3.779 1.00 0.00 C ATOM 144 OE1 GLU A 12 7.397 -14.844 4.334 1.00 0.00 O ATOM 145 OE2 GLU A 12 9.368 -14.143 3.660 1.00 0.00 O ATOM 0 H GLU A 12 4.462 -12.293 1.934 1.00 0.00 H new ATOM 0 HA GLU A 12 4.818 -10.800 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.177 -12.498 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.448 -13.295 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.420 -12.829 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.140 -11.890 3.430 1.00 0.00 H new ATOM 152 N ASP A 13 7.172 -10.065 1.971 1.00 0.00 N ATOM 153 CA ASP A 13 8.235 -9.115 1.664 1.00 0.00 C ATOM 154 C ASP A 13 7.699 -7.687 1.643 1.00 0.00 C ATOM 155 O ASP A 13 8.146 -6.835 2.410 1.00 0.00 O ATOM 156 CB ASP A 13 8.877 -9.453 0.318 1.00 0.00 C ATOM 157 CG ASP A 13 10.045 -10.409 0.456 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.986 -10.089 1.212 1.00 0.00 O ATOM 159 OD2 ASP A 13 10.019 -11.476 -0.192 1.00 0.00 O ATOM 0 H ASP A 13 6.914 -10.674 1.195 1.00 0.00 H new ATOM 0 HA ASP A 13 8.991 -9.188 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.127 -9.894 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.218 -8.534 -0.159 1.00 0.00 H new ATOM 164 N MET A 14 6.740 -7.434 0.759 1.00 0.00 N ATOM 165 CA MET A 14 6.143 -6.109 0.638 1.00 0.00 C ATOM 166 C MET A 14 5.679 -5.595 1.997 1.00 0.00 C ATOM 167 O MET A 14 5.990 -4.469 2.386 1.00 0.00 O ATOM 168 CB MET A 14 4.964 -6.144 -0.337 1.00 0.00 C ATOM 169 CG MET A 14 4.151 -4.859 -0.354 1.00 0.00 C ATOM 170 SD MET A 14 2.447 -5.123 -0.879 1.00 0.00 S ATOM 171 CE MET A 14 1.872 -6.250 0.389 1.00 0.00 C ATOM 0 H MET A 14 6.360 -8.129 0.116 1.00 0.00 H new ATOM 0 HA MET A 14 6.903 -5.430 0.253 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.339 -6.340 -1.341 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.310 -6.975 -0.073 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.156 -4.417 0.642 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.626 -4.142 -1.023 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.783 -6.300 0.365 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.285 -7.242 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.197 -5.894 1.367 1.00 0.00 H new ATOM 181 N LYS A 15 4.934 -6.428 2.716 1.00 0.00 N ATOM 182 CA LYS A 15 4.427 -6.059 4.033 1.00 0.00 C ATOM 183 C LYS A 15 5.510 -5.372 4.859 1.00 0.00 C ATOM 184 O LYS A 15 5.306 -4.275 5.379 1.00 0.00 O ATOM 185 CB LYS A 15 3.917 -7.299 4.771 1.00 0.00 C ATOM 186 CG LYS A 15 2.733 -7.966 4.093 1.00 0.00 C ATOM 187 CD LYS A 15 2.186 -9.113 4.927 1.00 0.00 C ATOM 188 CE LYS A 15 1.550 -10.184 4.054 1.00 0.00 C ATOM 189 NZ LYS A 15 1.038 -11.325 4.861 1.00 0.00 N ATOM 0 H LYS A 15 4.668 -7.364 2.409 1.00 0.00 H new ATOM 0 HA LYS A 15 3.602 -5.361 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.730 -8.020 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.633 -7.017 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.947 -7.230 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.035 -8.339 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.991 -9.553 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.448 -8.731 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.731 -9.747 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.283 -10.548 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.612 -12.033 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.823 -11.758 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.320 -10.982 5.531 1.00 0.00 H new ATOM 203 N LYS A 16 6.662 -6.024 4.975 1.00 0.00 N ATOM 204 CA LYS A 16 7.778 -5.475 5.736 1.00 0.00 C ATOM 205 C LYS A 16 8.222 -4.134 5.161 1.00 0.00 C ATOM 206 O LYS A 16 8.168 -3.108 5.839 1.00 0.00 O ATOM 207 CB LYS A 16 8.953 -6.455 5.736 1.00 0.00 C ATOM 208 CG LYS A 16 9.833 -6.350 6.969 1.00 0.00 C ATOM 209 CD LYS A 16 11.255 -6.804 6.681 1.00 0.00 C ATOM 210 CE LYS A 16 12.247 -6.176 7.647 1.00 0.00 C ATOM 211 NZ LYS A 16 12.044 -6.657 9.042 1.00 0.00 N ATOM 0 H LYS A 16 6.847 -6.933 4.552 1.00 0.00 H new ATOM 0 HA LYS A 16 7.443 -5.318 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.567 -7.472 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.562 -6.279 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.844 -5.319 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.412 -6.957 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.313 -7.890 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.523 -6.538 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.263 -6.409 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.145 -5.091 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.750 -6.219 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.089 -6.398 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.150 -7.691 9.072 1.00 0.00 H new ATOM 225 N TYR A 17 8.658 -4.149 3.906 1.00 0.00 N ATOM 226 CA TYR A 17 9.112 -2.934 3.240 1.00 0.00 C ATOM 227 C TYR A 17 8.042 -1.848 3.301 1.00 0.00 C ATOM 228 O TYR A 17 8.209 -0.834 3.978 1.00 0.00 O ATOM 229 CB TYR A 17 9.472 -3.230 1.783 1.00 0.00 C ATOM 230 CG TYR A 17 9.595 -1.990 0.926 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.783 -1.272 0.875 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.522 -1.537 0.168 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.900 -0.139 0.093 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.630 -0.406 -0.617 1.00 0.00 C ATOM 235 CZ TYR A 17 9.821 0.290 -0.651 1.00 0.00 C ATOM 236 OH TYR A 17 9.932 1.418 -1.431 1.00 0.00 O ATOM 0 H TYR A 17 8.707 -4.989 3.330 1.00 0.00 H new ATOM 0 HA TYR A 17 10.000 -2.574 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.415 -3.776 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.712 -3.883 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.630 -1.605 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.588 -2.079 0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.831 0.408 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.787 -0.068 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 17 9.223 2.051 -1.194 1.00 0.00 H new ATOM 246 N ALA A 18 6.943 -2.069 2.587 1.00 0.00 N ATOM 247 CA ALA A 18 5.844 -1.111 2.561 1.00 0.00 C ATOM 248 C ALA A 18 5.668 -0.440 3.919 1.00 0.00 C ATOM 249 O ALA A 18 5.292 0.729 3.999 1.00 0.00 O ATOM 250 CB ALA A 18 4.554 -1.800 2.140 1.00 0.00 C ATOM 0 H ALA A 18 6.790 -2.902 2.019 1.00 0.00 H new ATOM 0 HA ALA A 18 6.086 -0.338 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.742 -1.073 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.678 -2.227 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.318 -2.594 2.849 1.00 0.00 H new ATOM 256 N GLU A 19 5.943 -1.187 4.984 1.00 0.00 N ATOM 257 CA GLU A 19 5.813 -0.663 6.338 1.00 0.00 C ATOM 258 C GLU A 19 6.922 0.340 6.642 1.00 0.00 C ATOM 259 O GLU A 19 6.678 1.542 6.743 1.00 0.00 O ATOM 260 CB GLU A 19 5.849 -1.805 7.356 1.00 0.00 C ATOM 261 CG GLU A 19 5.063 -1.516 8.624 1.00 0.00 C ATOM 262 CD GLU A 19 5.904 -0.845 9.692 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.910 -0.197 9.335 1.00 0.00 O ATOM 264 OE2 GLU A 19 5.557 -0.969 10.885 1.00 0.00 O ATOM 0 H GLU A 19 6.257 -2.156 4.935 1.00 0.00 H new ATOM 0 HA GLU A 19 4.854 -0.151 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.453 -2.708 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.886 -2.012 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.213 -0.878 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.660 -2.449 9.018 1.00 0.00 H new ATOM 271 N THR A 20 8.144 -0.164 6.788 1.00 0.00 N ATOM 272 CA THR A 20 9.291 0.685 7.083 1.00 0.00 C ATOM 273 C THR A 20 9.495 1.731 5.992 1.00 0.00 C ATOM 274 O THR A 20 10.280 2.666 6.153 1.00 0.00 O ATOM 275 CB THR A 20 10.581 -0.144 7.231 1.00 0.00 C ATOM 276 OG1 THR A 20 11.665 0.704 7.624 1.00 0.00 O ATOM 277 CG2 THR A 20 10.926 -0.845 5.926 1.00 0.00 C ATOM 0 H THR A 20 8.364 -1.157 6.707 1.00 0.00 H new ATOM 0 HA THR A 20 9.079 1.185 8.028 1.00 0.00 H new ATOM 0 HB THR A 20 10.415 -0.900 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.589 1.566 7.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.840 -1.424 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.111 -1.512 5.645 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.074 -0.102 5.142 1.00 0.00 H new ATOM 285 N PHE A 21 8.783 1.567 4.882 1.00 0.00 N ATOM 286 CA PHE A 21 8.887 2.498 3.764 1.00 0.00 C ATOM 287 C PHE A 21 7.819 3.584 3.859 1.00 0.00 C ATOM 288 O PHE A 21 8.096 4.764 3.638 1.00 0.00 O ATOM 289 CB PHE A 21 8.751 1.749 2.436 1.00 0.00 C ATOM 290 CG PHE A 21 8.463 2.649 1.268 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.198 3.807 1.070 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.458 2.336 0.367 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.934 4.636 -0.003 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.190 3.161 -0.709 1.00 0.00 C ATOM 295 CZ PHE A 21 7.930 4.312 -0.895 1.00 0.00 C ATOM 0 H PHE A 21 8.128 0.799 4.733 1.00 0.00 H new ATOM 0 HA PHE A 21 9.867 2.972 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.672 1.199 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.952 1.013 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.986 4.064 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.877 1.436 0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.512 5.537 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.403 2.906 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.724 4.958 -1.736 1.00 0.00 H new ATOM 305 N LEU A 22 6.598 3.177 4.189 1.00 0.00 N ATOM 306 CA LEU A 22 5.487 4.115 4.314 1.00 0.00 C ATOM 307 C LEU A 22 5.403 4.673 5.731 1.00 0.00 C ATOM 308 O LEU A 22 4.567 5.528 6.022 1.00 0.00 O ATOM 309 CB LEU A 22 4.171 3.428 3.944 1.00 0.00 C ATOM 310 CG LEU A 22 4.044 2.958 2.495 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.930 1.930 2.363 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.793 4.140 1.570 1.00 0.00 C ATOM 0 H LEU A 22 6.352 2.205 4.375 1.00 0.00 H new ATOM 0 HA LEU A 22 5.663 4.943 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.038 2.566 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.353 4.117 4.155 1.00 0.00 H new ATOM 0 HG LEU A 22 4.983 2.487 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.854 1.607 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.151 1.070 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.985 2.375 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.705 3.786 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.870 4.640 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.624 4.842 1.642 1.00 0.00 H new ATOM 324 N GLU A 23 6.275 4.184 6.607 1.00 0.00 N ATOM 325 CA GLU A 23 6.298 4.636 7.993 1.00 0.00 C ATOM 326 C GLU A 23 6.184 6.156 8.072 1.00 0.00 C ATOM 327 O GLU A 23 5.269 6.704 8.688 1.00 0.00 O ATOM 328 CB GLU A 23 7.585 4.174 8.682 1.00 0.00 C ATOM 329 CG GLU A 23 7.434 2.865 9.438 1.00 0.00 C ATOM 330 CD GLU A 23 8.536 2.649 10.456 1.00 0.00 C ATOM 331 OE1 GLU A 23 8.732 3.533 11.317 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.204 1.595 10.393 1.00 0.00 O ATOM 0 H GLU A 23 6.974 3.476 6.382 1.00 0.00 H new ATOM 0 HA GLU A 23 5.442 4.197 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.369 4.063 7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.914 4.948 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.469 2.852 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.433 2.038 8.728 1.00 0.00 H new ATOM 339 N PRO A 24 7.135 6.854 7.435 1.00 0.00 N ATOM 340 CA PRO A 24 7.164 8.320 7.418 1.00 0.00 C ATOM 341 C PRO A 24 6.032 8.912 6.584 1.00 0.00 C ATOM 342 O PRO A 24 5.838 10.127 6.559 1.00 0.00 O ATOM 343 CB PRO A 24 8.520 8.641 6.784 1.00 0.00 C ATOM 344 CG PRO A 24 8.843 7.446 5.955 1.00 0.00 C ATOM 345 CD PRO A 24 8.256 6.267 6.681 1.00 0.00 C ATOM 0 HA PRO A 24 7.034 8.742 8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.468 9.543 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.282 8.813 7.544 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.419 7.539 4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.921 7.334 5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.915 5.498 5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.985 5.799 7.343 1.00 0.00 H new ATOM 353 N TRP A 25 5.289 8.046 5.904 1.00 0.00 N ATOM 354 CA TRP A 25 4.176 8.485 5.069 1.00 0.00 C ATOM 355 C TRP A 25 2.841 8.169 5.733 1.00 0.00 C ATOM 356 O TRP A 25 1.814 8.759 5.396 1.00 0.00 O ATOM 357 CB TRP A 25 4.248 7.816 3.696 1.00 0.00 C ATOM 358 CG TRP A 25 5.013 8.615 2.685 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.544 9.660 1.941 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.382 8.434 2.307 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.539 10.138 1.122 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.677 9.404 1.329 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.388 7.548 2.701 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.934 9.509 0.741 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.636 7.654 2.116 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.900 8.629 1.145 1.00 0.00 C ATOM 0 H TRP A 25 5.437 7.037 5.914 1.00 0.00 H new ATOM 0 HA TRP A 25 4.251 9.565 4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.713 6.836 3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.236 7.650 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.539 10.053 1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.445 10.914 0.466 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.194 6.794 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.140 10.259 -0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.421 6.974 2.412 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.886 8.687 0.707 1.00 0.00 H new ATOM 377 N PHE A 26 2.861 7.235 6.679 1.00 0.00 N ATOM 378 CA PHE A 26 1.650 6.841 7.389 1.00 0.00 C ATOM 379 C PHE A 26 1.887 6.820 8.897 1.00 0.00 C ATOM 380 O PHE A 26 1.049 7.278 9.675 1.00 0.00 O ATOM 381 CB PHE A 26 1.181 5.464 6.916 1.00 0.00 C ATOM 382 CG PHE A 26 0.609 5.469 5.528 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.253 6.476 5.123 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.933 4.468 4.626 1.00 0.00 C ATOM 385 CE1 PHE A 26 -0.781 6.484 3.846 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.409 4.472 3.348 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.450 5.480 2.957 1.00 0.00 C ATOM 0 H PHE A 26 3.702 6.737 6.971 1.00 0.00 H new ATOM 0 HA PHE A 26 0.875 7.576 7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.022 4.771 6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.428 5.088 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.515 7.264 5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.603 3.676 4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.452 7.274 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.671 3.687 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.862 5.483 1.959 1.00 0.00 H new ATOM 397 N LYS A 27 3.033 6.286 9.302 1.00 0.00 N ATOM 398 CA LYS A 27 3.383 6.204 10.715 1.00 0.00 C ATOM 399 C LYS A 27 3.816 7.566 11.248 1.00 0.00 C ATOM 400 O LYS A 27 4.581 8.281 10.601 1.00 0.00 O ATOM 401 CB LYS A 27 4.502 5.183 10.927 1.00 0.00 C ATOM 402 CG LYS A 27 4.613 4.689 12.359 1.00 0.00 C ATOM 403 CD LYS A 27 5.640 3.578 12.489 1.00 0.00 C ATOM 404 CE LYS A 27 6.266 3.556 13.875 1.00 0.00 C ATOM 405 NZ LYS A 27 7.240 2.439 14.026 1.00 0.00 N ATOM 0 H LYS A 27 3.737 5.903 8.671 1.00 0.00 H new ATOM 0 HA LYS A 27 2.498 5.883 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.333 4.330 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.451 5.630 10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.889 5.518 13.010 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.641 4.328 12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.166 2.617 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.419 3.712 11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.770 4.505 14.061 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.482 3.458 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.743 2.537 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.733 1.531 14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.925 2.468 13.244 1.00 0.00 H new ATOM 419 N ALA A 28 3.323 7.919 12.431 1.00 0.00 N ATOM 420 CA ALA A 28 3.663 9.193 13.051 1.00 0.00 C ATOM 421 C ALA A 28 5.145 9.510 12.880 1.00 0.00 C ATOM 422 O ALA A 28 5.974 8.623 12.677 1.00 0.00 O ATOM 423 CB ALA A 28 3.291 9.178 14.526 1.00 0.00 C ATOM 0 H ALA A 28 2.687 7.340 12.979 1.00 0.00 H new ATOM 0 HA ALA A 28 3.092 9.975 12.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.551 10.136 14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.219 9.007 14.629 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.836 8.380 15.031 1.00 0.00 H new ATOM 429 N PRO A 29 5.487 10.804 12.962 1.00 0.00 N ATOM 430 CA PRO A 29 4.509 11.868 13.203 1.00 0.00 C ATOM 431 C PRO A 29 3.586 12.088 12.009 1.00 0.00 C ATOM 432 O PRO A 29 2.678 12.917 12.059 1.00 0.00 O ATOM 433 CB PRO A 29 5.380 13.104 13.440 1.00 0.00 C ATOM 434 CG PRO A 29 6.653 12.814 12.722 1.00 0.00 C ATOM 435 CD PRO A 29 6.857 11.328 12.826 1.00 0.00 C ATOM 0 HA PRO A 29 3.846 11.631 14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.903 14.004 13.053 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.554 13.268 14.504 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.594 13.128 11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.486 13.355 13.171 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.354 10.928 11.942 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.474 11.066 13.685 1.00 0.00 H new ATOM 443 N ASN A 30 3.824 11.339 10.937 1.00 0.00 N ATOM 444 CA ASN A 30 3.013 11.452 9.730 1.00 0.00 C ATOM 445 C ASN A 30 1.714 10.666 9.872 1.00 0.00 C ATOM 446 O ASN A 30 1.664 9.645 10.559 1.00 0.00 O ATOM 447 CB ASN A 30 3.797 10.950 8.515 1.00 0.00 C ATOM 448 CG ASN A 30 4.868 11.928 8.074 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.726 12.605 7.055 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.950 12.007 8.841 1.00 0.00 N ATOM 0 H ASN A 30 4.572 10.648 10.880 1.00 0.00 H new ATOM 0 HA ASN A 30 2.766 12.504 9.585 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.260 9.993 8.755 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.108 10.773 7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.705 12.647 8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.026 11.427 9.677 1.00 0.00 H new ATOM 457 N LYS A 31 0.663 11.147 9.216 1.00 0.00 N ATOM 458 CA LYS A 31 -0.637 10.489 9.266 1.00 0.00 C ATOM 459 C LYS A 31 -1.624 11.163 8.318 1.00 0.00 C ATOM 460 O LYS A 31 -1.406 12.291 7.878 1.00 0.00 O ATOM 461 CB LYS A 31 -1.189 10.512 10.693 1.00 0.00 C ATOM 462 CG LYS A 31 -1.103 11.876 11.357 1.00 0.00 C ATOM 463 CD LYS A 31 -2.195 12.060 12.397 1.00 0.00 C ATOM 464 CE LYS A 31 -3.498 12.522 11.761 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.504 12.918 12.784 1.00 0.00 N ATOM 0 H LYS A 31 0.687 11.991 8.643 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.505 9.454 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.230 10.191 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.642 9.788 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.127 11.991 11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.185 12.656 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.359 11.120 12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.872 12.790 13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.300 13.366 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.904 11.721 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.436 12.541 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.227 12.535 13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.553 13.955 12.839 1.00 0.00 H new ATOM 479 N GLY A 32 -2.711 10.463 8.008 1.00 0.00 N ATOM 480 CA GLY A 32 -3.716 11.010 7.114 1.00 0.00 C ATOM 481 C GLY A 32 -4.457 9.933 6.346 1.00 0.00 C ATOM 482 O GLY A 32 -4.522 8.783 6.781 1.00 0.00 O ATOM 0 H GLY A 32 -2.914 9.527 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.430 11.597 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.239 11.691 6.409 1.00 0.00 H new ATOM 486 N THR A 33 -5.019 10.306 5.201 1.00 0.00 N ATOM 487 CA THR A 33 -5.762 9.365 4.372 1.00 0.00 C ATOM 488 C THR A 33 -4.952 8.953 3.148 1.00 0.00 C ATOM 489 O THR A 33 -3.902 9.529 2.863 1.00 0.00 O ATOM 490 CB THR A 33 -7.104 9.963 3.908 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.900 11.283 3.394 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.101 10.008 5.056 1.00 0.00 C ATOM 0 H THR A 33 -4.974 11.254 4.826 1.00 0.00 H new ATOM 0 HA THR A 33 -5.958 8.487 4.988 1.00 0.00 H new ATOM 0 HB THR A 33 -7.508 9.326 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.609 11.498 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.041 10.434 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.276 8.998 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.701 10.625 5.861 1.00 0.00 H new ATOM 500 N PHE A 34 -5.447 7.952 2.427 1.00 0.00 N ATOM 501 CA PHE A 34 -4.768 7.463 1.232 1.00 0.00 C ATOM 502 C PHE A 34 -5.682 6.544 0.426 1.00 0.00 C ATOM 503 O PHE A 34 -6.735 6.125 0.905 1.00 0.00 O ATOM 504 CB PHE A 34 -3.488 6.718 1.616 1.00 0.00 C ATOM 505 CG PHE A 34 -3.722 5.567 2.553 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.268 5.778 3.808 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.395 4.274 2.177 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.485 4.721 4.672 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.610 3.213 3.036 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.155 3.437 4.286 1.00 0.00 C ATOM 0 H PHE A 34 -6.315 7.464 2.649 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.508 8.323 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.008 6.347 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.795 7.419 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.527 6.780 4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.967 4.093 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.912 4.899 5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.352 2.210 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.322 2.610 4.960 1.00 0.00 H new ATOM 520 N GLN A 35 -5.270 6.237 -0.800 1.00 0.00 N ATOM 521 CA GLN A 35 -6.051 5.370 -1.673 1.00 0.00 C ATOM 522 C GLN A 35 -5.157 4.348 -2.368 1.00 0.00 C ATOM 523 O GLN A 35 -4.318 4.705 -3.196 1.00 0.00 O ATOM 524 CB GLN A 35 -6.801 6.202 -2.715 1.00 0.00 C ATOM 525 CG GLN A 35 -5.904 7.145 -3.500 1.00 0.00 C ATOM 526 CD GLN A 35 -6.682 8.034 -4.450 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.508 9.253 -4.462 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.546 7.427 -5.255 1.00 0.00 N ATOM 0 H GLN A 35 -4.400 6.576 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.774 4.834 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.305 5.530 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.576 6.783 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.341 7.768 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.178 6.562 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.659 6.414 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.097 7.974 -5.917 1.00 0.00 H new ATOM 537 N ILE A 36 -5.342 3.078 -2.026 1.00 0.00 N ATOM 538 CA ILE A 36 -4.552 2.005 -2.618 1.00 0.00 C ATOM 539 C ILE A 36 -5.144 1.557 -3.950 1.00 0.00 C ATOM 540 O ILE A 36 -6.361 1.562 -4.133 1.00 0.00 O ATOM 541 CB ILE A 36 -4.457 0.790 -1.676 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.728 1.173 -0.386 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.747 -0.363 -2.370 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.886 0.155 0.722 1.00 0.00 C ATOM 0 H ILE A 36 -6.032 2.766 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.551 2.404 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.466 0.468 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.667 1.301 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.102 2.136 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.687 -1.214 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.303 -0.648 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.741 -0.053 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.343 0.492 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.943 0.043 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.486 -0.805 0.394 1.00 0.00 H new ATOM 556 N VAL A 37 -4.274 1.168 -4.877 1.00 0.00 N ATOM 557 CA VAL A 37 -4.711 0.713 -6.191 1.00 0.00 C ATOM 558 C VAL A 37 -3.772 -0.354 -6.744 1.00 0.00 C ATOM 559 O VAL A 37 -2.564 -0.140 -6.846 1.00 0.00 O ATOM 560 CB VAL A 37 -4.788 1.881 -7.192 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.357 1.409 -8.521 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.621 3.018 -6.620 1.00 0.00 C ATOM 0 H VAL A 37 -3.263 1.159 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.706 0.287 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.779 2.253 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.404 2.248 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.716 0.631 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.359 1.010 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.665 3.835 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.630 2.662 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.166 3.373 -5.696 1.00 0.00 H new ATOM 572 N TYR A 38 -4.335 -1.503 -7.099 1.00 0.00 N ATOM 573 CA TYR A 38 -3.548 -2.605 -7.640 1.00 0.00 C ATOM 574 C TYR A 38 -3.543 -2.573 -9.165 1.00 0.00 C ATOM 575 O TYR A 38 -4.523 -2.945 -9.810 1.00 0.00 O ATOM 576 CB TYR A 38 -4.102 -3.944 -7.149 1.00 0.00 C ATOM 577 CG TYR A 38 -3.218 -5.124 -7.484 1.00 0.00 C ATOM 578 CD1 TYR A 38 -3.223 -5.680 -8.757 1.00 0.00 C ATOM 579 CD2 TYR A 38 -2.380 -5.683 -6.528 1.00 0.00 C ATOM 580 CE1 TYR A 38 -2.417 -6.759 -9.068 1.00 0.00 C ATOM 581 CE2 TYR A 38 -1.571 -6.761 -6.830 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.593 -7.295 -8.101 1.00 0.00 C ATOM 583 OH TYR A 38 -0.789 -8.370 -8.406 1.00 0.00 O ATOM 0 H TYR A 38 -5.334 -1.696 -7.022 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.522 -2.493 -7.289 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.238 -3.897 -6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.087 -4.103 -7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.867 -5.262 -9.516 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.361 -5.268 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.433 -7.180 -10.063 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.925 -7.183 -6.075 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.270 -8.625 -7.615 1.00 0.00 H new ATOM 593 N LYS A 39 -2.429 -2.127 -9.737 1.00 0.00 N ATOM 594 CA LYS A 39 -2.292 -2.047 -11.186 1.00 0.00 C ATOM 595 C LYS A 39 -1.228 -3.020 -11.686 1.00 0.00 C ATOM 596 O LYS A 39 -0.106 -3.040 -11.181 1.00 0.00 O ATOM 597 CB LYS A 39 -1.932 -0.621 -11.607 1.00 0.00 C ATOM 598 CG LYS A 39 -2.939 0.421 -11.150 1.00 0.00 C ATOM 599 CD LYS A 39 -2.299 1.793 -11.015 1.00 0.00 C ATOM 600 CE LYS A 39 -2.309 2.545 -12.337 1.00 0.00 C ATOM 601 NZ LYS A 39 -2.114 4.009 -12.144 1.00 0.00 N ATOM 0 H LYS A 39 -1.608 -1.815 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.248 -2.320 -11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.952 -0.368 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.849 -0.582 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.762 0.471 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.365 0.121 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.833 2.372 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.273 1.684 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.521 2.156 -12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.256 2.369 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.127 4.486 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.879 4.386 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.199 4.179 -11.680 1.00 0.00 H new ATOM 760 N GLU A 49 -6.567 -8.632 -4.333 1.00 0.00 N ATOM 761 CA GLU A 49 -7.091 -8.085 -3.086 1.00 0.00 C ATOM 762 C GLU A 49 -6.084 -8.255 -1.952 1.00 0.00 C ATOM 763 O GLU A 49 -5.655 -7.279 -1.339 1.00 0.00 O ATOM 764 CB GLU A 49 -8.410 -8.768 -2.719 1.00 0.00 C ATOM 765 CG GLU A 49 -9.594 -8.286 -3.541 1.00 0.00 C ATOM 766 CD GLU A 49 -10.908 -8.882 -3.074 1.00 0.00 C ATOM 767 OE1 GLU A 49 -11.081 -10.112 -3.206 1.00 0.00 O ATOM 768 OE2 GLU A 49 -11.764 -8.119 -2.579 1.00 0.00 O ATOM 0 HA GLU A 49 -7.270 -7.020 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.301 -9.845 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.617 -8.596 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.652 -7.199 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.434 -8.544 -4.588 1.00 0.00 H new ATOM 775 N GLU A 50 -5.714 -9.502 -1.680 1.00 0.00 N ATOM 776 CA GLU A 50 -4.759 -9.800 -0.618 1.00 0.00 C ATOM 777 C GLU A 50 -3.695 -8.711 -0.522 1.00 0.00 C ATOM 778 O GLU A 50 -3.302 -8.306 0.572 1.00 0.00 O ATOM 779 CB GLU A 50 -4.095 -11.157 -0.865 1.00 0.00 C ATOM 780 CG GLU A 50 -4.847 -12.324 -0.247 1.00 0.00 C ATOM 781 CD GLU A 50 -4.389 -13.664 -0.788 1.00 0.00 C ATOM 782 OE1 GLU A 50 -3.322 -14.147 -0.354 1.00 0.00 O ATOM 783 OE2 GLU A 50 -5.099 -14.231 -1.645 1.00 0.00 O ATOM 0 H GLU A 50 -6.060 -10.321 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.303 -9.836 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.008 -11.320 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.082 -11.135 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.711 -12.307 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.914 -12.205 -0.436 1.00 0.00 H new ATOM 790 N VAL A 51 -3.231 -8.241 -1.676 1.00 0.00 N ATOM 791 CA VAL A 51 -2.213 -7.198 -1.723 1.00 0.00 C ATOM 792 C VAL A 51 -2.763 -5.870 -1.216 1.00 0.00 C ATOM 793 O VAL A 51 -2.198 -5.260 -0.307 1.00 0.00 O ATOM 794 CB VAL A 51 -1.673 -7.005 -3.153 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.740 -5.806 -3.214 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.967 -8.265 -3.630 1.00 0.00 C ATOM 0 H VAL A 51 -3.544 -8.566 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.398 -7.521 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.515 -6.814 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.369 -5.685 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.282 -4.908 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.100 -5.964 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.592 -8.111 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.134 -8.489 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.669 -9.099 -3.626 1.00 0.00 H new ATOM 806 N ILE A 52 -3.868 -5.428 -1.807 1.00 0.00 N ATOM 807 CA ILE A 52 -4.495 -4.173 -1.414 1.00 0.00 C ATOM 808 C ILE A 52 -5.000 -4.238 0.024 1.00 0.00 C ATOM 809 O ILE A 52 -4.533 -3.499 0.891 1.00 0.00 O ATOM 810 CB ILE A 52 -5.669 -3.814 -2.343 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.184 -3.690 -3.789 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.330 -2.522 -1.888 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.282 -3.875 -4.813 1.00 0.00 C ATOM 0 H ILE A 52 -4.347 -5.921 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.731 -3.400 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.408 -4.613 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.730 -2.709 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.404 -4.430 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.158 -2.282 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.706 -2.644 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.600 -1.713 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.866 -3.774 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.721 -4.866 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.052 -3.118 -4.662 1.00 0.00 H new ATOM 825 N ARG A 53 -5.957 -5.128 0.269 1.00 0.00 N ATOM 826 CA ARG A 53 -6.525 -5.290 1.601 1.00 0.00 C ATOM 827 C ARG A 53 -5.435 -5.245 2.668 1.00 0.00 C ATOM 828 O ARG A 53 -5.482 -4.424 3.583 1.00 0.00 O ATOM 829 CB ARG A 53 -7.291 -6.611 1.695 1.00 0.00 C ATOM 830 CG ARG A 53 -8.768 -6.484 1.363 1.00 0.00 C ATOM 831 CD ARG A 53 -8.984 -6.189 -0.113 1.00 0.00 C ATOM 832 NE ARG A 53 -9.023 -4.755 -0.385 1.00 0.00 N ATOM 833 CZ ARG A 53 -9.650 -4.221 -1.427 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.289 -4.999 -2.291 1.00 0.00 N ATOM 835 NH2 ARG A 53 -9.641 -2.906 -1.607 1.00 0.00 N ATOM 0 H ARG A 53 -6.354 -5.747 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.214 -4.464 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.836 -7.334 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.187 -7.010 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.283 -7.407 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.210 -5.688 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.184 -6.647 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.918 -6.646 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.542 -4.129 0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.300 -6.010 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.770 -4.586 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.152 -2.304 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.123 -2.498 -2.408 1.00 0.00 H new ATOM 849 N GLU A 54 -4.454 -6.134 2.542 1.00 0.00 N ATOM 850 CA GLU A 54 -3.353 -6.196 3.495 1.00 0.00 C ATOM 851 C GLU A 54 -2.641 -4.850 3.593 1.00 0.00 C ATOM 852 O GLU A 54 -2.583 -4.241 4.662 1.00 0.00 O ATOM 853 CB GLU A 54 -2.357 -7.283 3.088 1.00 0.00 C ATOM 854 CG GLU A 54 -1.072 -7.267 3.900 1.00 0.00 C ATOM 855 CD GLU A 54 -1.212 -7.987 5.228 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.923 -9.013 5.274 1.00 0.00 O ATOM 857 OE2 GLU A 54 -0.612 -7.524 6.220 1.00 0.00 O ATOM 0 H GLU A 54 -4.400 -6.820 1.790 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.767 -6.441 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.832 -8.258 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.112 -7.162 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.275 -7.733 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.773 -6.234 4.080 1.00 0.00 H new ATOM 864 N LEU A 55 -2.101 -4.390 2.470 1.00 0.00 N ATOM 865 CA LEU A 55 -1.392 -3.116 2.427 1.00 0.00 C ATOM 866 C LEU A 55 -2.064 -2.088 3.331 1.00 0.00 C ATOM 867 O LEU A 55 -1.394 -1.334 4.036 1.00 0.00 O ATOM 868 CB LEU A 55 -1.334 -2.590 0.992 1.00 0.00 C ATOM 869 CG LEU A 55 -0.137 -3.046 0.157 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.495 -3.069 -1.321 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.061 -2.140 0.403 1.00 0.00 C ATOM 0 H LEU A 55 -2.141 -4.880 1.577 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.377 -3.281 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.246 -2.893 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.334 -1.501 1.026 1.00 0.00 H new ATOM 0 HG LEU A 55 0.129 -4.058 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.369 -3.396 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.323 -3.759 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.788 -2.069 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.904 -2.479 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.806 -1.117 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.332 -2.174 1.458 1.00 0.00 H new ATOM 883 N ALA A 56 -3.393 -2.066 3.307 1.00 0.00 N ATOM 884 CA ALA A 56 -4.156 -1.134 4.128 1.00 0.00 C ATOM 885 C ALA A 56 -4.137 -1.551 5.595 1.00 0.00 C ATOM 886 O ALA A 56 -3.850 -0.742 6.476 1.00 0.00 O ATOM 887 CB ALA A 56 -5.589 -1.038 3.624 1.00 0.00 C ATOM 0 H ALA A 56 -3.963 -2.683 2.728 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.688 -0.153 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.147 -0.339 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.589 -0.686 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.058 -2.021 3.672 1.00 0.00 H new ATOM 893 N GLY A 57 -4.444 -2.819 5.849 1.00 0.00 N ATOM 894 CA GLY A 57 -4.456 -3.321 7.211 1.00 0.00 C ATOM 895 C GLY A 57 -3.189 -2.976 7.967 1.00 0.00 C ATOM 896 O GLY A 57 -3.207 -2.836 9.190 1.00 0.00 O ATOM 0 H GLY A 57 -4.685 -3.508 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.315 -2.908 7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.582 -4.404 7.195 1.00 0.00 H new ATOM 900 N ILE A 58 -2.085 -2.842 7.239 1.00 0.00 N ATOM 901 CA ILE A 58 -0.803 -2.512 7.850 1.00 0.00 C ATOM 902 C ILE A 58 -0.724 -1.030 8.196 1.00 0.00 C ATOM 903 O ILE A 58 -0.326 -0.659 9.301 1.00 0.00 O ATOM 904 CB ILE A 58 0.372 -2.875 6.922 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.341 -4.366 6.583 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.695 -2.501 7.573 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.291 -4.753 5.471 1.00 0.00 C ATOM 0 H ILE A 58 -2.053 -2.957 6.226 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.728 -3.100 8.765 1.00 0.00 H new ATOM 0 HB ILE A 58 0.273 -2.310 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.588 -4.939 7.477 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.673 -4.644 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.516 -2.763 6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.714 -1.429 7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.804 -3.043 8.513 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.216 -5.824 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.031 -4.207 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.312 -4.507 5.762 1.00 0.00 H new ATOM 919 N VAL A 59 -1.108 -0.184 7.245 1.00 0.00 N ATOM 920 CA VAL A 59 -1.084 1.259 7.450 1.00 0.00 C ATOM 921 C VAL A 59 -1.641 1.629 8.820 1.00 0.00 C ATOM 922 O VAL A 59 -0.985 2.316 9.604 1.00 0.00 O ATOM 923 CB VAL A 59 -1.891 1.994 6.363 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.955 3.484 6.662 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.287 1.743 4.990 1.00 0.00 C ATOM 0 H VAL A 59 -1.439 -0.474 6.325 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.041 1.570 7.390 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.909 1.603 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.529 3.987 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.437 3.641 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.945 3.893 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.870 2.270 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.259 2.105 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.299 0.674 4.777 1.00 0.00 H new ATOM 935 N CYS A 60 -2.855 1.170 9.101 1.00 0.00 N ATOM 936 CA CYS A 60 -3.503 1.453 10.377 1.00 0.00 C ATOM 937 C CYS A 60 -2.615 1.030 11.543 1.00 0.00 C ATOM 938 O CYS A 60 -2.526 1.726 12.555 1.00 0.00 O ATOM 939 CB CYS A 60 -4.850 0.734 10.460 1.00 0.00 C ATOM 940 SG CYS A 60 -5.901 1.290 11.823 1.00 0.00 S ATOM 0 H CYS A 60 -3.411 0.600 8.463 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.669 2.528 10.441 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.385 0.878 9.521 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.673 -0.336 10.565 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.018 0.625 11.809 1.00 0.00 H new ATOM 946 N THR A 61 -1.959 -0.117 11.395 1.00 0.00 N ATOM 947 CA THR A 61 -1.080 -0.635 12.436 1.00 0.00 C ATOM 948 C THR A 61 -0.052 0.409 12.857 1.00 0.00 C ATOM 949 O THR A 61 0.344 0.471 14.022 1.00 0.00 O ATOM 950 CB THR A 61 -0.345 -1.905 11.970 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.290 -2.881 11.518 1.00 0.00 O ATOM 952 CG2 THR A 61 0.495 -2.489 13.096 1.00 0.00 C ATOM 0 H THR A 61 -2.020 -0.705 10.564 1.00 0.00 H new ATOM 0 HA THR A 61 -1.712 -0.883 13.289 1.00 0.00 H new ATOM 0 HB THR A 61 0.317 -1.633 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.652 -2.608 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.005 -3.385 12.743 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.234 -1.755 13.417 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.151 -2.746 13.936 1.00 0.00 H new ATOM 960 N LEU A 62 0.376 1.228 11.903 1.00 0.00 N ATOM 961 CA LEU A 62 1.359 2.271 12.176 1.00 0.00 C ATOM 962 C LEU A 62 0.752 3.383 13.026 1.00 0.00 C ATOM 963 O LEU A 62 1.111 3.553 14.190 1.00 0.00 O ATOM 964 CB LEU A 62 1.894 2.850 10.864 1.00 0.00 C ATOM 965 CG LEU A 62 2.442 1.838 9.858 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.397 2.409 8.449 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.862 1.434 10.226 1.00 0.00 C ATOM 0 H LEU A 62 0.058 1.190 10.934 1.00 0.00 H new ATOM 0 HA LEU A 62 2.183 1.823 12.732 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.092 3.411 10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.685 3.562 11.100 1.00 0.00 H new ATOM 0 HG LEU A 62 1.813 0.948 9.888 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.791 1.675 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.366 2.647 8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.001 3.315 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.235 0.713 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.503 2.316 10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.866 0.983 11.218 1.00 0.00 H new ATOM 979 N ASN A 63 -0.171 4.135 12.435 1.00 0.00 N ATOM 980 CA ASN A 63 -0.829 5.230 13.139 1.00 0.00 C ATOM 981 C ASN A 63 -2.346 5.080 13.080 1.00 0.00 C ATOM 982 O ASN A 63 -2.936 5.058 12.000 1.00 0.00 O ATOM 983 CB ASN A 63 -0.414 6.574 12.537 1.00 0.00 C ATOM 984 CG ASN A 63 -0.435 7.696 13.557 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.172 7.640 14.542 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.375 8.722 13.325 1.00 0.00 N ATOM 0 H ASN A 63 -0.480 4.006 11.471 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.518 5.196 14.183 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.588 6.487 12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.084 6.823 11.714 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.404 9.506 13.976 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.968 8.726 12.495 1.00 0.00 H new ATOM 993 N SER A 64 -2.971 4.979 14.248 1.00 0.00 N ATOM 994 CA SER A 64 -4.419 4.828 14.330 1.00 0.00 C ATOM 995 C SER A 64 -5.126 5.968 13.603 1.00 0.00 C ATOM 996 O SER A 64 -6.277 5.834 13.189 1.00 0.00 O ATOM 997 CB SER A 64 -4.867 4.785 15.792 1.00 0.00 C ATOM 998 OG SER A 64 -4.794 3.467 16.310 1.00 0.00 O ATOM 0 H SER A 64 -2.497 4.999 15.151 1.00 0.00 H new ATOM 0 HA SER A 64 -4.689 3.889 13.847 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.240 5.448 16.387 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.889 5.155 15.873 1.00 0.00 H new ATOM 0 HG SER A 64 -5.084 3.467 17.246 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.428 7.089 13.453 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.988 8.253 12.777 1.00 0.00 C ATOM 1006 C GLU A 65 -5.118 8.001 11.277 1.00 0.00 C ATOM 1007 O GLU A 65 -5.941 8.618 10.603 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.115 9.484 13.025 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.033 9.888 14.488 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.265 10.639 14.956 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.286 9.980 15.246 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.208 11.884 15.031 1.00 0.00 O ATOM 0 H GLU A 65 -3.474 7.216 13.790 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.982 8.434 13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.109 9.286 12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.509 10.320 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.901 8.996 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.152 10.512 14.640 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.297 7.091 10.763 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.318 6.758 9.344 1.00 0.00 C ATOM 1021 C ASN A 66 -5.641 6.101 8.958 1.00 0.00 C ATOM 1022 O ASN A 66 -6.090 5.156 9.607 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.155 5.826 8.999 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.813 6.399 9.414 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.608 7.613 9.383 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.892 5.526 9.805 1.00 0.00 N ATOM 0 H ASN A 66 -3.609 6.571 11.308 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.213 7.684 8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.305 4.865 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.150 5.637 7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.030 5.853 10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.106 4.529 9.815 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.260 6.609 7.898 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.530 6.072 7.423 1.00 0.00 C ATOM 1035 C LYS A 67 -7.597 6.099 5.900 1.00 0.00 C ATOM 1036 O LYS A 67 -7.690 7.166 5.291 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.696 6.871 8.010 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.957 6.578 9.477 1.00 0.00 C ATOM 1039 CD LYS A 67 -9.844 5.357 9.653 1.00 0.00 C ATOM 1040 CE LYS A 67 -9.676 4.740 11.033 1.00 0.00 C ATOM 1041 NZ LYS A 67 -10.886 3.979 11.451 1.00 0.00 N ATOM 0 H LYS A 67 -5.903 7.392 7.351 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.604 5.036 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.492 7.935 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.598 6.654 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.009 6.417 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.430 7.442 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.886 5.639 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.601 4.617 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.812 4.076 11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.472 5.526 11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.732 3.574 12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.706 4.618 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.066 3.213 10.771 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.550 4.920 5.288 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.607 4.809 3.836 1.00 0.00 C ATOM 1057 C VAL A 68 -8.946 5.304 3.300 1.00 0.00 C ATOM 1058 O VAL A 68 -9.996 4.737 3.603 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.388 3.355 3.375 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.333 2.415 4.108 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.571 3.241 1.869 1.00 0.00 C ATOM 0 H VAL A 68 -7.473 4.028 5.776 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.806 5.433 3.439 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.365 3.065 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.164 1.393 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.149 2.477 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.364 2.700 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.413 2.208 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.582 3.549 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.850 3.885 1.365 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.901 6.365 2.501 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.110 6.936 1.920 1.00 0.00 C ATOM 1073 C ASP A 69 -10.036 6.933 0.397 1.00 0.00 C ATOM 1074 O ASP A 69 -8.959 7.080 -0.183 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.321 8.363 2.430 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.787 8.747 2.485 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.630 7.844 2.667 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.091 9.951 2.346 1.00 0.00 O ATOM 0 H ASP A 69 -8.040 6.847 2.241 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.956 6.320 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.886 8.458 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.790 9.060 1.782 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.186 6.763 -0.246 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.251 6.739 -1.704 1.00 0.00 C ATOM 1085 C LEU A 70 -12.021 7.944 -2.234 1.00 0.00 C ATOM 1086 O LEU A 70 -12.263 8.061 -3.436 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.912 5.445 -2.183 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.348 4.148 -1.602 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.239 2.970 -1.963 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.928 3.916 -2.096 1.00 0.00 C ATOM 0 H LEU A 70 -12.086 6.640 0.218 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.233 6.784 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.975 5.494 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.830 5.399 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.323 4.239 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.822 2.056 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.238 3.133 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.296 2.876 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.542 2.989 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.928 3.846 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.295 4.747 -1.786 1.00 0.00 H new ATOM 1102 N THR A 71 -12.404 8.840 -1.329 1.00 0.00 N ATOM 1103 CA THR A 71 -13.146 10.037 -1.705 1.00 0.00 C ATOM 1104 C THR A 71 -12.264 11.278 -1.626 1.00 0.00 C ATOM 1105 O THR A 71 -12.180 12.053 -2.578 1.00 0.00 O ATOM 1106 CB THR A 71 -14.379 10.239 -0.806 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.214 9.077 -0.850 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.176 11.458 -1.245 1.00 0.00 C ATOM 0 H THR A 71 -12.212 8.759 -0.330 1.00 0.00 H new ATOM 0 HA THR A 71 -13.476 9.894 -2.734 1.00 0.00 H new ATOM 0 HB THR A 71 -14.033 10.399 0.215 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.995 9.213 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.042 11.580 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.547 12.346 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.511 11.323 -2.274 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.607 11.460 -0.485 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.731 12.608 -0.282 1.00 0.00 C ATOM 1118 C ASN A 72 -9.359 12.163 0.217 1.00 0.00 C ATOM 1119 O ASN A 72 -8.866 12.623 1.247 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.357 13.584 0.716 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.268 14.592 0.044 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.832 15.372 -0.803 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.542 14.582 0.421 1.00 0.00 N ATOM 0 H ASN A 72 -11.665 10.827 0.313 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.604 13.111 -1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.924 13.025 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.566 14.112 1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.202 15.239 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.860 13.918 1.127 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.726 11.247 -0.531 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.402 10.721 -0.186 1.00 0.00 C ATOM 1132 C PRO A 73 -6.302 11.763 -0.356 1.00 0.00 C ATOM 1133 O PRO A 73 -6.354 12.590 -1.266 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.207 9.572 -1.177 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.069 9.925 -2.341 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.254 10.655 -1.772 1.00 0.00 C ATOM 0 HA PRO A 73 -7.345 10.415 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.162 9.477 -1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.503 8.618 -0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.529 10.551 -3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.383 9.031 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.622 11.419 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.085 9.978 -1.573 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.308 11.717 0.525 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.196 12.658 0.472 1.00 0.00 C ATOM 1146 C GLN A 74 -2.976 12.023 -0.187 1.00 0.00 C ATOM 1147 O GLN A 74 -2.228 12.688 -0.904 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.837 13.138 1.879 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.776 14.208 2.415 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.159 15.014 3.541 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -2.985 14.845 3.870 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.950 15.898 4.138 1.00 0.00 N ATOM 0 H GLN A 74 -5.250 11.038 1.284 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.507 13.514 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.846 12.285 2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.820 13.529 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.056 14.880 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.693 13.737 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.917 16.005 3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.590 16.470 4.902 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.781 10.732 0.061 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.650 10.007 -0.506 1.00 0.00 C ATOM 1163 C TYR A 75 -2.123 8.784 -1.286 1.00 0.00 C ATOM 1164 O TYR A 75 -2.836 7.931 -0.756 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.685 9.579 0.601 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.305 10.700 1.540 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.750 11.555 1.243 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -1.001 10.907 2.725 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.101 12.580 2.099 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.657 11.931 3.586 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.395 12.764 3.269 1.00 0.00 C ATOM 1172 OH TYR A 75 0.741 13.786 4.124 1.00 0.00 O ATOM 0 H TYR A 75 -3.392 10.167 0.651 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.130 10.675 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.140 8.773 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.220 9.175 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.305 11.415 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.825 10.256 2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.924 13.234 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.209 12.078 4.502 1.00 0.00 H new ATOM 0 HH TYR A 75 0.144 13.778 4.901 1.00 0.00 H new ATOM 1182 N THR A 76 -1.720 8.705 -2.551 1.00 0.00 N ATOM 1183 CA THR A 76 -2.102 7.588 -3.406 1.00 0.00 C ATOM 1184 C THR A 76 -0.997 6.539 -3.466 1.00 0.00 C ATOM 1185 O THR A 76 0.067 6.775 -4.039 1.00 0.00 O ATOM 1186 CB THR A 76 -2.424 8.060 -4.836 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.549 8.946 -4.818 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.720 6.875 -5.743 1.00 0.00 C ATOM 0 H THR A 76 -1.129 9.401 -3.006 1.00 0.00 H new ATOM 0 HA THR A 76 -2.996 7.145 -2.967 1.00 0.00 H new ATOM 0 HB THR A 76 -1.553 8.587 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.746 9.243 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.945 7.233 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.851 6.218 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.576 6.324 -5.354 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.256 5.379 -2.870 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.283 4.293 -2.858 1.00 0.00 C ATOM 1198 C VAL A 77 -0.659 3.207 -3.860 1.00 0.00 C ATOM 1199 O VAL A 77 -1.523 2.372 -3.593 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.164 3.663 -1.457 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.877 4.399 -0.628 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.514 3.663 -0.756 1.00 0.00 C ATOM 0 H VAL A 77 -2.131 5.167 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 77 0.678 4.725 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 77 0.161 2.629 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.947 3.940 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.845 4.341 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.585 5.444 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.411 3.214 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.871 4.688 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.229 3.087 -1.343 1.00 0.00 H new ATOM 1212 N VAL A 78 -0.004 3.225 -5.017 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.267 2.241 -6.060 1.00 0.00 C ATOM 1214 C VAL A 78 0.799 1.152 -6.070 1.00 0.00 C ATOM 1215 O VAL A 78 1.961 1.402 -5.750 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.325 2.900 -7.451 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.139 4.185 -7.400 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.079 3.169 -7.971 1.00 0.00 C ATOM 0 H VAL A 78 0.713 3.911 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.236 1.794 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.818 2.213 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.169 4.636 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.154 3.960 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.678 4.880 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.020 3.635 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.600 3.836 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.625 2.229 -8.047 1.00 0.00 H new ATOM 1228 N VAL A 79 0.396 -0.060 -6.440 1.00 0.00 N ATOM 1229 CA VAL A 79 1.316 -1.189 -6.494 1.00 0.00 C ATOM 1230 C VAL A 79 1.417 -1.749 -7.908 1.00 0.00 C ATOM 1231 O VAL A 79 0.536 -2.479 -8.361 1.00 0.00 O ATOM 1232 CB VAL A 79 0.881 -2.314 -5.537 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.044 -1.877 -4.089 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.556 -2.726 -5.819 1.00 0.00 C ATOM 0 H VAL A 79 -0.563 -0.285 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 79 2.292 -0.816 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 79 1.523 -3.179 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.732 -2.685 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.089 -1.635 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.428 -0.997 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.847 -3.522 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.214 -1.868 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.637 -3.083 -6.846 1.00 0.00 H new ATOM 1244 N GLU A 80 2.498 -1.403 -8.601 1.00 0.00 N ATOM 1245 CA GLU A 80 2.713 -1.872 -9.965 1.00 0.00 C ATOM 1246 C GLU A 80 3.564 -3.139 -9.976 1.00 0.00 C ATOM 1247 O GLU A 80 4.474 -3.295 -9.162 1.00 0.00 O ATOM 1248 CB GLU A 80 3.387 -0.783 -10.802 1.00 0.00 C ATOM 1249 CG GLU A 80 3.180 -0.950 -12.298 1.00 0.00 C ATOM 1250 CD GLU A 80 3.339 0.353 -13.057 1.00 0.00 C ATOM 1251 OE1 GLU A 80 4.362 1.039 -12.853 1.00 0.00 O ATOM 1252 OE2 GLU A 80 2.439 0.687 -13.856 1.00 0.00 O ATOM 0 H GLU A 80 3.238 -0.800 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 80 1.741 -2.104 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.001 0.189 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.456 -0.783 -10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.894 -1.679 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.184 -1.354 -12.481 1.00 0.00 H new ATOM 1259 N ILE A 81 3.260 -4.039 -10.905 1.00 0.00 N ATOM 1260 CA ILE A 81 3.997 -5.292 -11.023 1.00 0.00 C ATOM 1261 C ILE A 81 5.068 -5.199 -12.105 1.00 0.00 C ATOM 1262 O ILE A 81 4.775 -5.328 -13.295 1.00 0.00 O ATOM 1263 CB ILE A 81 3.058 -6.469 -11.345 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.997 -6.617 -10.253 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.855 -7.756 -11.496 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.575 -6.705 -8.857 1.00 0.00 C ATOM 0 H ILE A 81 2.510 -3.925 -11.586 1.00 0.00 H new ATOM 0 HA ILE A 81 4.472 -5.471 -10.059 1.00 0.00 H new ATOM 0 HB ILE A 81 2.553 -6.265 -12.289 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.315 -5.768 -10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.407 -7.512 -10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.177 -8.579 -11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.576 -7.645 -12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.384 -7.968 -10.567 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.766 -6.809 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.234 -7.570 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.142 -5.799 -8.640 1.00 0.00 H new ATOM 1356 N CYS A 87 5.801 -2.871 -6.808 1.00 0.00 N ATOM 1357 CA CYS A 87 6.282 -1.504 -6.971 1.00 0.00 C ATOM 1358 C CYS A 87 5.326 -0.509 -6.320 1.00 0.00 C ATOM 1359 O CYS A 87 4.285 -0.172 -6.885 1.00 0.00 O ATOM 1360 CB CYS A 87 6.448 -1.173 -8.455 1.00 0.00 C ATOM 1361 SG CYS A 87 7.229 0.427 -8.772 1.00 0.00 S ATOM 0 HA CYS A 87 7.251 -1.425 -6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 87 7.043 -1.955 -8.926 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.468 -1.187 -8.931 1.00 0.00 H new ATOM 0 HG CYS A 87 7.327 0.615 -10.055 1.00 0.00 H new ATOM 1367 N LEU A 88 5.686 -0.044 -5.129 1.00 0.00 N ATOM 1368 CA LEU A 88 4.859 0.911 -4.399 1.00 0.00 C ATOM 1369 C LEU A 88 5.188 2.342 -4.812 1.00 0.00 C ATOM 1370 O LEU A 88 6.318 2.802 -4.649 1.00 0.00 O ATOM 1371 CB LEU A 88 5.061 0.744 -2.892 1.00 0.00 C ATOM 1372 CG LEU A 88 4.192 -0.315 -2.212 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.832 -1.689 -2.333 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.963 0.042 -0.751 1.00 0.00 C ATOM 0 H LEU A 88 6.545 -0.312 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 88 3.816 0.712 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.107 0.498 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.872 1.704 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 88 3.225 -0.342 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.199 -2.429 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.944 -1.947 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.812 -1.677 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.343 -0.722 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.922 0.097 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.460 1.007 -0.687 1.00 0.00 H new ATOM 1386 N SER A 89 4.191 3.043 -5.345 1.00 0.00 N ATOM 1387 CA SER A 89 4.375 4.421 -5.782 1.00 0.00 C ATOM 1388 C SER A 89 3.514 5.373 -4.956 1.00 0.00 C ATOM 1389 O SER A 89 2.292 5.237 -4.907 1.00 0.00 O ATOM 1390 CB SER A 89 4.027 4.559 -7.266 1.00 0.00 C ATOM 1391 OG SER A 89 4.787 5.588 -7.875 1.00 0.00 O ATOM 0 H SER A 89 3.249 2.679 -5.484 1.00 0.00 H new ATOM 0 HA SER A 89 5.422 4.685 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.214 3.614 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.964 4.775 -7.375 1.00 0.00 H new ATOM 0 HG SER A 89 4.547 5.655 -8.823 1.00 0.00 H new ATOM 1397 N VAL A 90 4.162 6.336 -4.308 1.00 0.00 N ATOM 1398 CA VAL A 90 3.458 7.311 -3.485 1.00 0.00 C ATOM 1399 C VAL A 90 3.319 8.645 -4.210 1.00 0.00 C ATOM 1400 O VAL A 90 4.288 9.169 -4.759 1.00 0.00 O ATOM 1401 CB VAL A 90 4.181 7.540 -2.144 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.416 8.538 -1.289 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.364 6.223 -1.406 1.00 0.00 C ATOM 0 H VAL A 90 5.174 6.461 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 90 2.466 6.903 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 90 5.168 7.955 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.942 8.687 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.342 9.488 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.415 8.155 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.876 6.404 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.389 5.777 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.958 5.543 -2.017 1.00 0.00 H new ATOM 1413 N VAL A 91 2.107 9.190 -4.207 1.00 0.00 N ATOM 1414 CA VAL A 91 1.841 10.465 -4.863 1.00 0.00 C ATOM 1415 C VAL A 91 0.974 11.363 -3.988 1.00 0.00 C ATOM 1416 O VAL A 91 -0.138 10.994 -3.610 1.00 0.00 O ATOM 1417 CB VAL A 91 1.144 10.262 -6.222 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.836 11.604 -6.869 1.00 0.00 C ATOM 1419 CG2 VAL A 91 2.002 9.403 -7.138 1.00 0.00 C ATOM 0 H VAL A 91 1.294 8.769 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 91 2.806 10.945 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 91 0.201 9.742 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.344 11.441 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.179 12.180 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.764 12.154 -7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.494 9.270 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.962 9.893 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.166 8.430 -6.676 1.00 0.00 H new ATOM 1429 N LYS A 92 1.490 12.545 -3.669 1.00 0.00 N ATOM 1430 CA LYS A 92 0.763 13.499 -2.840 1.00 0.00 C ATOM 1431 C LYS A 92 -0.123 14.399 -3.695 1.00 0.00 C ATOM 1432 O LYS A 92 0.368 15.154 -4.534 1.00 0.00 O ATOM 1433 CB LYS A 92 1.743 14.352 -2.030 1.00 0.00 C ATOM 1434 CG LYS A 92 1.083 15.137 -0.910 1.00 0.00 C ATOM 1435 CD LYS A 92 2.107 15.893 -0.080 1.00 0.00 C ATOM 1436 CE LYS A 92 2.597 17.140 -0.801 1.00 0.00 C ATOM 1437 NZ LYS A 92 3.734 17.783 -0.086 1.00 0.00 N ATOM 0 H LYS A 92 2.410 12.865 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 92 0.127 12.937 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.510 13.705 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.248 15.047 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.365 15.840 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.524 14.456 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.666 16.174 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.953 15.241 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.906 16.877 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.777 17.852 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.039 18.629 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.432 18.057 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.526 17.113 -0.020 1.00 0.00 H new