USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 114 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 134 LYS NZ :NH3+ 146:sc= 0.458 (180deg=0.068) USER MOD Set 2.1: A 102 TYR OH : rot 58:sc= 1.15 USER MOD Set 2.2: A 115 SER OG : rot -54:sc= 0.876 USER MOD Single : A 84 THR OG1 : rot -34:sc= 0.878 USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= 0.0109 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0.00971 (180deg=0.00381) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0117) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -19! C(o=-21!,f=-19!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 162:sc= -0.0313 (180deg=-0.256) USER MOD Single : A 120 SER OG : rot 82:sc= 0.831 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.793) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.480 -5.987 6.438 1.00 0.00 N ATOM 188 CA THR A 84 8.166 -7.406 6.333 1.00 0.00 C ATOM 189 C THR A 84 8.542 -7.952 4.960 1.00 0.00 C ATOM 190 O THR A 84 8.350 -9.135 4.678 1.00 0.00 O ATOM 191 CB THR A 84 6.669 -7.669 6.585 1.00 0.00 C ATOM 192 OG1 THR A 84 6.400 -9.074 6.513 1.00 0.00 O ATOM 193 CG2 THR A 84 5.811 -6.931 5.569 1.00 0.00 C ATOM 0 HA THR A 84 8.752 -7.917 7.097 1.00 0.00 H new ATOM 0 HB THR A 84 6.421 -7.302 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.988 -9.486 5.846 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.758 -7.132 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.997 -5.860 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.062 -7.272 4.565 1.00 0.00 H new ATOM 201 N PHE A 85 9.080 -7.084 4.110 1.00 0.00 N ATOM 202 CA PHE A 85 9.484 -7.480 2.766 1.00 0.00 C ATOM 203 C PHE A 85 8.503 -8.491 2.179 1.00 0.00 C ATOM 204 O PHE A 85 8.905 -9.462 1.540 1.00 0.00 O ATOM 205 CB PHE A 85 10.894 -8.074 2.789 1.00 0.00 C ATOM 206 CG PHE A 85 11.370 -8.538 1.442 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.773 -8.070 0.282 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.415 -9.441 1.335 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.209 -8.494 -0.959 1.00 0.00 C ATOM 210 CE2 PHE A 85 12.856 -9.869 0.097 1.00 0.00 C ATOM 211 CZ PHE A 85 12.252 -9.396 -1.051 1.00 0.00 C ATOM 0 H PHE A 85 9.246 -6.102 4.328 1.00 0.00 H new ATOM 0 HA PHE A 85 9.482 -6.591 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.588 -7.327 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.914 -8.915 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.957 -7.365 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.891 -9.815 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.736 -8.121 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.672 -10.573 0.028 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.594 -9.730 -2.019 1.00 0.00 H new ATOM 221 N GLU A 86 7.214 -8.254 2.403 1.00 0.00 N ATOM 222 CA GLU A 86 6.176 -9.144 1.898 1.00 0.00 C ATOM 223 C GLU A 86 5.184 -8.383 1.024 1.00 0.00 C ATOM 224 O GLU A 86 4.444 -8.979 0.240 1.00 0.00 O ATOM 225 CB GLU A 86 5.439 -9.815 3.059 1.00 0.00 C ATOM 226 CG GLU A 86 6.090 -11.105 3.529 1.00 0.00 C ATOM 227 CD GLU A 86 5.418 -11.683 4.760 1.00 0.00 C ATOM 228 OE1 GLU A 86 4.217 -11.412 4.963 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.096 -12.406 5.520 1.00 0.00 O ATOM 0 H GLU A 86 6.864 -7.454 2.930 1.00 0.00 H new ATOM 0 HA GLU A 86 6.656 -9.911 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.386 -9.119 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.414 -10.025 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.057 -11.839 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.141 -10.918 3.747 1.00 0.00 H new ATOM 236 N LEU A 87 5.174 -7.062 1.165 1.00 0.00 N ATOM 237 CA LEU A 87 4.272 -6.217 0.389 1.00 0.00 C ATOM 238 C LEU A 87 4.192 -6.691 -1.059 1.00 0.00 C ATOM 239 O LEU A 87 3.118 -6.707 -1.660 1.00 0.00 O ATOM 240 CB LEU A 87 4.741 -4.761 0.435 1.00 0.00 C ATOM 241 CG LEU A 87 5.290 -4.275 1.776 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.532 -4.916 2.928 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.778 -4.574 1.883 1.00 0.00 C ATOM 0 H LEU A 87 5.780 -6.553 1.809 1.00 0.00 H new ATOM 0 HA LEU A 87 3.278 -6.287 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.514 -4.625 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.904 -4.122 0.155 1.00 0.00 H new ATOM 0 HG LEU A 87 5.151 -3.195 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.937 -4.558 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.477 -4.651 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.638 -6.000 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.152 -4.221 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.940 -5.649 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.310 -4.066 1.078 1.00 0.00 H new ATOM 255 N LYS A 88 5.336 -7.080 -1.613 1.00 0.00 N ATOM 256 CA LYS A 88 5.396 -7.558 -2.989 1.00 0.00 C ATOM 257 C LYS A 88 4.284 -8.566 -3.263 1.00 0.00 C ATOM 258 O LYS A 88 4.200 -9.606 -2.612 1.00 0.00 O ATOM 259 CB LYS A 88 6.758 -8.197 -3.269 1.00 0.00 C ATOM 260 CG LYS A 88 7.074 -8.332 -4.749 1.00 0.00 C ATOM 261 CD LYS A 88 8.227 -9.291 -4.988 1.00 0.00 C ATOM 262 CE LYS A 88 9.569 -8.580 -4.907 1.00 0.00 C ATOM 263 NZ LYS A 88 10.663 -9.505 -4.501 1.00 0.00 N ATOM 0 H LYS A 88 6.234 -7.073 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 88 5.259 -6.703 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.535 -7.599 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.788 -9.184 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.190 -8.685 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.323 -7.353 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.194 -10.093 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.118 -9.755 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.806 -8.140 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.503 -7.760 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.498 -9.337 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.909 -9.336 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.347 -10.489 -4.617 1.00 0.00 H new ATOM 277 N GLY A 89 3.431 -8.250 -4.234 1.00 0.00 N ATOM 278 CA GLY A 89 2.337 -9.139 -4.578 1.00 0.00 C ATOM 279 C GLY A 89 1.078 -8.841 -3.789 1.00 0.00 C ATOM 280 O GLY A 89 -0.034 -9.039 -4.280 1.00 0.00 O ATOM 0 H GLY A 89 3.479 -7.395 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.124 -9.052 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.640 -10.170 -4.397 1.00 0.00 H new ATOM 284 N LYS A 90 1.250 -8.365 -2.561 1.00 0.00 N ATOM 285 CA LYS A 90 0.119 -8.039 -1.700 1.00 0.00 C ATOM 286 C LYS A 90 -0.601 -6.791 -2.198 1.00 0.00 C ATOM 287 O LYS A 90 0.005 -5.919 -2.821 1.00 0.00 O ATOM 288 CB LYS A 90 0.592 -7.828 -0.260 1.00 0.00 C ATOM 289 CG LYS A 90 0.875 -9.122 0.483 1.00 0.00 C ATOM 290 CD LYS A 90 1.298 -8.860 1.919 1.00 0.00 C ATOM 291 CE LYS A 90 1.923 -10.095 2.551 1.00 0.00 C ATOM 292 NZ LYS A 90 0.891 -11.063 3.015 1.00 0.00 N ATOM 0 H LYS A 90 2.163 -8.196 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.580 -8.875 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.496 -7.219 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.166 -7.265 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.016 -9.750 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.660 -9.675 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.012 -8.036 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.432 -8.550 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.578 -10.581 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.546 -9.796 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.349 -11.957 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.392 -10.670 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.210 -11.238 2.249 1.00 0.00 H new ATOM 306 N VAL A 91 -1.898 -6.710 -1.917 1.00 0.00 N ATOM 307 CA VAL A 91 -2.701 -5.566 -2.334 1.00 0.00 C ATOM 308 C VAL A 91 -3.094 -4.706 -1.139 1.00 0.00 C ATOM 309 O VAL A 91 -3.465 -5.221 -0.085 1.00 0.00 O ATOM 310 CB VAL A 91 -3.976 -6.015 -3.072 1.00 0.00 C ATOM 311 CG1 VAL A 91 -4.782 -6.975 -2.210 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.815 -4.809 -3.468 1.00 0.00 C ATOM 0 H VAL A 91 -2.415 -7.423 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.085 -4.977 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.683 -6.540 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.679 -7.281 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.178 -7.853 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.067 -6.479 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.712 -5.145 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.100 -4.255 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.235 -4.162 -4.126 1.00 0.00 H new ATOM 322 N GLY A 92 -3.011 -3.390 -1.311 1.00 0.00 N ATOM 323 CA GLY A 92 -3.362 -2.478 -0.238 1.00 0.00 C ATOM 324 C GLY A 92 -4.435 -1.488 -0.647 1.00 0.00 C ATOM 325 O GLY A 92 -5.110 -1.674 -1.659 1.00 0.00 O ATOM 0 H GLY A 92 -2.707 -2.939 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.709 -3.050 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.472 -1.934 0.079 1.00 0.00 H new ATOM 329 N LYS A 93 -4.594 -0.431 0.143 1.00 0.00 N ATOM 330 CA LYS A 93 -5.592 0.593 -0.140 1.00 0.00 C ATOM 331 C LYS A 93 -4.979 1.988 -0.058 1.00 0.00 C ATOM 332 O LYS A 93 -4.310 2.326 0.919 1.00 0.00 O ATOM 333 CB LYS A 93 -6.761 0.480 0.841 1.00 0.00 C ATOM 334 CG LYS A 93 -7.965 1.320 0.451 1.00 0.00 C ATOM 335 CD LYS A 93 -8.756 1.762 1.671 1.00 0.00 C ATOM 336 CE LYS A 93 -9.543 0.608 2.273 1.00 0.00 C ATOM 337 NZ LYS A 93 -10.491 1.072 3.324 1.00 0.00 N ATOM 0 H LYS A 93 -4.044 -0.262 0.985 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.960 0.436 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.065 -0.564 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.423 0.782 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.633 2.196 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.610 0.746 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.076 2.169 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.440 2.564 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.096 0.096 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.852 -0.118 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.008 0.256 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.961 1.539 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.166 1.746 2.909 1.00 0.00 H new ATOM 351 N VAL A 94 -5.213 2.794 -1.089 1.00 0.00 N ATOM 352 CA VAL A 94 -4.686 4.153 -1.131 1.00 0.00 C ATOM 353 C VAL A 94 -5.304 5.016 -0.038 1.00 0.00 C ATOM 354 O VAL A 94 -6.449 5.453 -0.149 1.00 0.00 O ATOM 355 CB VAL A 94 -4.945 4.812 -2.499 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.937 4.323 -3.527 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.368 4.537 -2.962 1.00 0.00 C ATOM 0 H VAL A 94 -5.764 2.530 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.611 4.081 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.824 5.890 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.136 4.799 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.929 4.577 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.022 3.242 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.533 5.010 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.520 3.461 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.072 4.942 -2.235 1.00 0.00 H new ATOM 367 N VAL A 95 -4.537 5.259 1.021 1.00 0.00 N ATOM 368 CA VAL A 95 -5.008 6.073 2.135 1.00 0.00 C ATOM 369 C VAL A 95 -4.970 7.556 1.788 1.00 0.00 C ATOM 370 O VAL A 95 -5.779 8.343 2.282 1.00 0.00 O ATOM 371 CB VAL A 95 -4.165 5.832 3.402 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.268 4.380 3.843 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.715 6.223 3.159 1.00 0.00 C ATOM 0 H VAL A 95 -3.587 4.904 1.130 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.038 5.775 2.330 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.557 6.459 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.666 4.228 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.309 4.138 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.903 3.731 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.134 6.046 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.308 5.624 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.662 7.279 2.894 1.00 0.00 H new ATOM 383 N LYS A 96 -4.026 7.934 0.933 1.00 0.00 N ATOM 384 CA LYS A 96 -3.882 9.324 0.516 1.00 0.00 C ATOM 385 C LYS A 96 -2.884 9.447 -0.631 1.00 0.00 C ATOM 386 O LYS A 96 -2.060 8.558 -0.848 1.00 0.00 O ATOM 387 CB LYS A 96 -3.428 10.187 1.695 1.00 0.00 C ATOM 388 CG LYS A 96 -3.925 11.621 1.626 1.00 0.00 C ATOM 389 CD LYS A 96 -2.956 12.579 2.298 1.00 0.00 C ATOM 390 CE LYS A 96 -3.133 14.001 1.786 1.00 0.00 C ATOM 391 NZ LYS A 96 -4.497 14.526 2.071 1.00 0.00 N ATOM 0 H LYS A 96 -3.348 7.297 0.515 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.854 9.676 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.779 9.734 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.339 10.190 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.061 11.910 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.901 11.692 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.111 12.558 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.933 12.250 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.390 14.649 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.951 14.026 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.552 15.524 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.200 13.974 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.693 14.448 3.089 1.00 0.00 H new ATOM 405 N ILE A 97 -2.963 10.554 -1.362 1.00 0.00 N ATOM 406 CA ILE A 97 -2.065 10.794 -2.484 1.00 0.00 C ATOM 407 C ILE A 97 -1.324 12.117 -2.323 1.00 0.00 C ATOM 408 O ILE A 97 -1.848 13.067 -1.743 1.00 0.00 O ATOM 409 CB ILE A 97 -2.827 10.805 -3.823 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.490 9.448 -4.068 1.00 0.00 C ATOM 411 CG2 ILE A 97 -1.886 11.155 -4.965 1.00 0.00 C ATOM 412 CD1 ILE A 97 -4.674 9.515 -5.007 1.00 0.00 C ATOM 0 H ILE A 97 -3.640 11.299 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.345 9.976 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.606 11.566 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.750 8.760 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.816 9.034 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.439 11.159 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.456 12.142 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.087 10.416 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.094 8.517 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.432 10.177 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.350 9.899 -5.974 1.00 0.00 H new ATOM 424 N ALA A 98 -0.102 12.172 -2.844 1.00 0.00 N ATOM 425 CA ALA A 98 0.710 13.379 -2.761 1.00 0.00 C ATOM 426 C ALA A 98 1.506 13.595 -4.044 1.00 0.00 C ATOM 427 O ALA A 98 1.762 12.651 -4.791 1.00 0.00 O ATOM 428 CB ALA A 98 1.645 13.306 -1.563 1.00 0.00 C ATOM 0 H ALA A 98 0.347 11.394 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 98 0.040 14.229 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.245 14.215 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.059 13.209 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.302 12.442 -1.666 1.00 0.00 H new ATOM 434 N GLU A 99 1.892 14.842 -4.293 1.00 0.00 N ATOM 435 CA GLU A 99 2.657 15.180 -5.487 1.00 0.00 C ATOM 436 C GLU A 99 4.016 14.485 -5.477 1.00 0.00 C ATOM 437 O GLU A 99 4.438 13.909 -6.480 1.00 0.00 O ATOM 438 CB GLU A 99 2.848 16.695 -5.587 1.00 0.00 C ATOM 439 CG GLU A 99 2.979 17.199 -7.014 1.00 0.00 C ATOM 440 CD GLU A 99 1.804 16.800 -7.884 1.00 0.00 C ATOM 441 OE1 GLU A 99 0.745 17.455 -7.788 1.00 0.00 O ATOM 442 OE2 GLU A 99 1.942 15.833 -8.662 1.00 0.00 O ATOM 0 H GLU A 99 1.688 15.634 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 99 2.097 14.834 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 99 2.002 17.192 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.740 16.978 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.067 18.285 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.898 16.808 -7.450 1.00 0.00 H new ATOM 449 N ASP A 100 4.696 14.544 -4.337 1.00 0.00 N ATOM 450 CA ASP A 100 6.006 13.920 -4.195 1.00 0.00 C ATOM 451 C ASP A 100 5.901 12.403 -4.308 1.00 0.00 C ATOM 452 O ASP A 100 6.788 11.748 -4.857 1.00 0.00 O ATOM 453 CB ASP A 100 6.633 14.302 -2.853 1.00 0.00 C ATOM 454 CG ASP A 100 7.166 15.721 -2.846 1.00 0.00 C ATOM 455 OD1 ASP A 100 6.352 16.662 -2.954 1.00 0.00 O ATOM 456 OD2 ASP A 100 8.398 15.891 -2.732 1.00 0.00 O ATOM 0 H ASP A 100 4.361 15.018 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 100 6.643 14.282 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.889 14.192 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.445 13.611 -2.625 1.00 0.00 H new ATOM 461 N HIS A 101 4.811 11.849 -3.785 1.00 0.00 N ATOM 462 CA HIS A 101 4.590 10.408 -3.827 1.00 0.00 C ATOM 463 C HIS A 101 3.164 10.065 -3.409 1.00 0.00 C ATOM 464 O HIS A 101 2.345 10.954 -3.172 1.00 0.00 O ATOM 465 CB HIS A 101 5.588 9.691 -2.917 1.00 0.00 C ATOM 466 CG HIS A 101 6.056 8.377 -3.460 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.681 7.111 -3.161 1.00 0.00 N flip ATOM 468 CD2 HIS A 101 7.030 8.267 -4.430 1.00 0.00 C flip ATOM 469 CE1 HIS A 101 6.426 6.269 -3.950 1.00 0.00 C flip ATOM 470 NE2 HIS A 101 7.231 6.991 -4.707 1.00 0.00 N flip ATOM 0 H HIS A 101 4.067 12.376 -3.327 1.00 0.00 H new ATOM 0 HA HIS A 101 4.739 10.072 -4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 101 6.451 10.337 -2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.127 9.529 -1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.548 9.095 -4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.363 5.191 -3.951 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.895 6.626 -5.390 1.00 0.00 H new ATOM 479 N TYR A 102 2.873 8.772 -3.321 1.00 0.00 N ATOM 480 CA TYR A 102 1.545 8.312 -2.935 1.00 0.00 C ATOM 481 C TYR A 102 1.602 7.506 -1.641 1.00 0.00 C ATOM 482 O TYR A 102 2.623 6.895 -1.320 1.00 0.00 O ATOM 483 CB TYR A 102 0.932 7.463 -4.050 1.00 0.00 C ATOM 484 CG TYR A 102 0.965 8.131 -5.407 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.170 8.479 -6.002 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.210 8.412 -6.093 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.205 9.090 -7.241 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.185 9.021 -7.332 1.00 0.00 C ATOM 489 CZ TYR A 102 1.025 9.359 -7.902 1.00 0.00 C ATOM 490 OH TYR A 102 1.055 9.966 -9.137 1.00 0.00 O ATOM 0 H TYR A 102 3.539 8.024 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 102 0.919 9.189 -2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.466 6.514 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.102 7.232 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.096 8.269 -5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.159 8.150 -5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.151 9.355 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.108 9.232 -7.852 1.00 0.00 H new ATOM 0 HH TYR A 102 1.581 9.419 -9.757 1.00 0.00 H new ATOM 500 N LEU A 103 0.499 7.508 -0.901 1.00 0.00 N ATOM 501 CA LEU A 103 0.422 6.776 0.359 1.00 0.00 C ATOM 502 C LEU A 103 -0.440 5.527 0.211 1.00 0.00 C ATOM 503 O LEU A 103 -1.639 5.614 -0.056 1.00 0.00 O ATOM 504 CB LEU A 103 -0.147 7.675 1.459 1.00 0.00 C ATOM 505 CG LEU A 103 0.838 8.646 2.108 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.785 7.904 3.039 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.619 9.405 1.045 1.00 0.00 C ATOM 0 H LEU A 103 -0.354 8.008 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 103 1.431 6.468 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.971 8.252 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.567 7.040 2.239 1.00 0.00 H new ATOM 0 HG LEU A 103 0.272 9.367 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.479 8.612 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.211 7.407 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.344 7.160 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.315 10.092 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.174 8.699 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.928 9.969 0.419 1.00 0.00 H new ATOM 519 N VAL A 104 0.178 4.363 0.388 1.00 0.00 N ATOM 520 CA VAL A 104 -0.533 3.095 0.277 1.00 0.00 C ATOM 521 C VAL A 104 -0.440 2.298 1.573 1.00 0.00 C ATOM 522 O VAL A 104 0.654 1.982 2.041 1.00 0.00 O ATOM 523 CB VAL A 104 0.020 2.241 -0.879 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.076 1.364 -1.467 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.636 3.129 -1.950 1.00 0.00 C ATOM 0 H VAL A 104 1.170 4.272 0.609 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.577 3.334 0.075 1.00 0.00 H new ATOM 0 HB VAL A 104 0.801 1.590 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.667 0.768 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.466 0.702 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.881 1.993 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.022 2.509 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.123 3.806 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.451 3.709 -1.517 1.00 0.00 H new ATOM 535 N GLU A 105 -1.594 1.976 2.148 1.00 0.00 N ATOM 536 CA GLU A 105 -1.642 1.216 3.391 1.00 0.00 C ATOM 537 C GLU A 105 -1.634 -0.285 3.112 1.00 0.00 C ATOM 538 O GLU A 105 -2.631 -0.848 2.659 1.00 0.00 O ATOM 539 CB GLU A 105 -2.889 1.589 4.196 1.00 0.00 C ATOM 540 CG GLU A 105 -3.111 0.711 5.416 1.00 0.00 C ATOM 541 CD GLU A 105 -4.567 0.655 5.837 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.329 -0.127 5.231 1.00 0.00 O ATOM 543 OE2 GLU A 105 -4.944 1.393 6.771 1.00 0.00 O ATOM 0 H GLU A 105 -2.508 2.230 1.773 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.755 1.465 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.807 2.628 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.763 1.523 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.760 -0.298 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.511 1.088 6.244 1.00 0.00 H new ATOM 550 N VAL A 106 -0.502 -0.926 3.385 1.00 0.00 N ATOM 551 CA VAL A 106 -0.364 -2.360 3.165 1.00 0.00 C ATOM 552 C VAL A 106 -0.291 -3.115 4.487 1.00 0.00 C ATOM 553 O VAL A 106 0.614 -2.892 5.291 1.00 0.00 O ATOM 554 CB VAL A 106 0.892 -2.681 2.332 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.959 -4.168 2.018 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.909 -1.856 1.055 1.00 0.00 C ATOM 0 H VAL A 106 0.333 -0.474 3.759 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.248 -2.683 2.615 1.00 0.00 H new ATOM 0 HB VAL A 106 1.773 -2.418 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.852 -4.376 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.998 -4.735 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.075 -4.460 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.803 -2.095 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.023 -2.085 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.913 -0.796 1.307 1.00 0.00 H new ATOM 566 N GLU A 107 -1.249 -4.011 4.705 1.00 0.00 N ATOM 567 CA GLU A 107 -1.292 -4.799 5.931 1.00 0.00 C ATOM 568 C GLU A 107 -1.467 -3.899 7.150 1.00 0.00 C ATOM 569 O GLU A 107 -0.988 -4.211 8.240 1.00 0.00 O ATOM 570 CB GLU A 107 -0.016 -5.630 6.075 1.00 0.00 C ATOM 571 CG GLU A 107 0.010 -6.865 5.190 1.00 0.00 C ATOM 572 CD GLU A 107 -0.659 -8.061 5.838 1.00 0.00 C ATOM 573 OE1 GLU A 107 -1.602 -7.855 6.631 1.00 0.00 O ATOM 574 OE2 GLU A 107 -0.240 -9.203 5.554 1.00 0.00 O ATOM 0 H GLU A 107 -2.005 -4.209 4.049 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.149 -5.470 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.844 -5.004 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.092 -5.937 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.488 -6.642 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.044 -7.116 4.953 1.00 0.00 H new ATOM 581 N GLY A 108 -2.156 -2.778 6.958 1.00 0.00 N ATOM 582 CA GLY A 108 -2.381 -1.849 8.050 1.00 0.00 C ATOM 583 C GLY A 108 -1.172 -0.978 8.329 1.00 0.00 C ATOM 584 O GLY A 108 -0.946 -0.563 9.465 1.00 0.00 O ATOM 0 H GLY A 108 -2.562 -2.497 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.235 -1.215 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.639 -2.407 8.950 1.00 0.00 H new ATOM 588 N ASP A 109 -0.392 -0.701 7.289 1.00 0.00 N ATOM 589 CA ASP A 109 0.801 0.126 7.427 1.00 0.00 C ATOM 590 C ASP A 109 1.027 0.967 6.175 1.00 0.00 C ATOM 591 O ASP A 109 1.121 0.438 5.067 1.00 0.00 O ATOM 592 CB ASP A 109 2.025 -0.749 7.698 1.00 0.00 C ATOM 593 CG ASP A 109 2.242 -1.002 9.177 1.00 0.00 C ATOM 594 OD1 ASP A 109 1.811 -0.159 9.992 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.841 -2.042 9.519 1.00 0.00 O ATOM 0 H ASP A 109 -0.565 -1.037 6.342 1.00 0.00 H new ATOM 0 HA ASP A 109 0.652 0.799 8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.907 -1.702 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.910 -0.269 7.281 1.00 0.00 H new ATOM 600 N LYS A 110 1.112 2.280 6.358 1.00 0.00 N ATOM 601 CA LYS A 110 1.328 3.196 5.244 1.00 0.00 C ATOM 602 C LYS A 110 2.666 2.922 4.565 1.00 0.00 C ATOM 603 O LYS A 110 3.653 2.599 5.226 1.00 0.00 O ATOM 604 CB LYS A 110 1.278 4.646 5.731 1.00 0.00 C ATOM 605 CG LYS A 110 -0.121 5.121 6.084 1.00 0.00 C ATOM 606 CD LYS A 110 -0.259 6.625 5.910 1.00 0.00 C ATOM 607 CE LYS A 110 -1.664 7.098 6.250 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.925 8.473 5.740 1.00 0.00 N ATOM 0 H LYS A 110 1.035 2.734 7.268 1.00 0.00 H new ATOM 0 HA LYS A 110 0.532 3.036 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.919 4.749 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.689 5.295 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.849 4.612 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.349 4.850 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.462 7.134 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.021 6.897 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.392 6.408 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.802 7.079 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.893 8.759 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.246 9.136 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.819 8.486 4.706 1.00 0.00 H new ATOM 622 N TRP A 111 2.692 3.055 3.244 1.00 0.00 N ATOM 623 CA TRP A 111 3.910 2.823 2.477 1.00 0.00 C ATOM 624 C TRP A 111 4.129 3.933 1.454 1.00 0.00 C ATOM 625 O TRP A 111 3.263 4.786 1.255 1.00 0.00 O ATOM 626 CB TRP A 111 3.843 1.468 1.770 1.00 0.00 C ATOM 627 CG TRP A 111 4.045 0.306 2.694 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.076 -0.496 3.227 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.294 -0.183 3.195 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.648 -1.454 4.029 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.007 -1.284 4.026 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.626 0.200 3.021 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.004 -2.003 4.680 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.615 -0.514 3.672 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.300 -1.605 4.492 1.00 0.00 C ATOM 0 H TRP A 111 1.884 3.322 2.682 1.00 0.00 H new ATOM 0 HA TRP A 111 4.751 2.822 3.171 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.874 1.369 1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.601 1.437 0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.017 -0.392 3.045 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.142 -2.175 4.543 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.879 1.039 2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.763 -2.844 5.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.648 -0.226 3.546 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.096 -2.143 4.986 1.00 0.00 H new ATOM 646 N ILE A 112 5.291 3.917 0.809 1.00 0.00 N ATOM 647 CA ILE A 112 5.621 4.922 -0.194 1.00 0.00 C ATOM 648 C ILE A 112 5.627 4.319 -1.595 1.00 0.00 C ATOM 649 O ILE A 112 6.595 3.678 -2.002 1.00 0.00 O ATOM 650 CB ILE A 112 6.994 5.562 0.083 1.00 0.00 C ATOM 651 CG1 ILE A 112 7.055 6.093 1.517 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.268 6.680 -0.913 1.00 0.00 C ATOM 653 CD1 ILE A 112 7.443 5.042 2.534 1.00 0.00 C ATOM 0 H ILE A 112 6.019 3.220 0.963 1.00 0.00 H new ATOM 0 HA ILE A 112 4.851 5.692 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 112 7.764 4.799 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.772 6.913 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.082 6.505 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.242 7.123 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.263 6.275 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.496 7.444 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.466 5.489 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.713 4.232 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.429 4.647 2.291 1.00 0.00 H new ATOM 665 N ALA A 113 4.540 4.532 -2.329 1.00 0.00 N ATOM 666 CA ALA A 113 4.420 4.014 -3.686 1.00 0.00 C ATOM 667 C ALA A 113 4.166 5.140 -4.683 1.00 0.00 C ATOM 668 O ALA A 113 3.622 6.185 -4.328 1.00 0.00 O ATOM 669 CB ALA A 113 3.307 2.980 -3.760 1.00 0.00 C ATOM 0 H ALA A 113 3.729 5.060 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 113 5.363 3.536 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.229 2.602 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.531 2.155 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.363 3.441 -3.471 1.00 0.00 H new ATOM 675 N TYR A 114 4.564 4.919 -5.931 1.00 0.00 N ATOM 676 CA TYR A 114 4.382 5.916 -6.979 1.00 0.00 C ATOM 677 C TYR A 114 3.510 5.370 -8.105 1.00 0.00 C ATOM 678 O TYR A 114 3.761 4.285 -8.630 1.00 0.00 O ATOM 679 CB TYR A 114 5.738 6.355 -7.535 1.00 0.00 C ATOM 680 CG TYR A 114 6.684 5.205 -7.802 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.161 4.417 -6.762 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.101 4.908 -9.093 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.025 3.366 -7.000 1.00 0.00 C ATOM 684 CE2 TYR A 114 7.964 3.859 -9.341 1.00 0.00 C ATOM 685 CZ TYR A 114 8.424 3.091 -8.291 1.00 0.00 C ATOM 686 OH TYR A 114 9.285 2.045 -8.534 1.00 0.00 O ATOM 0 H TYR A 114 5.015 4.058 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 114 3.880 6.779 -6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.580 6.907 -8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.205 7.043 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 114 6.851 4.630 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.744 5.508 -9.917 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.386 2.763 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.277 3.641 -10.351 1.00 0.00 H new ATOM 0 HH TYR A 114 9.465 1.986 -9.495 1.00 0.00 H new ATOM 696 N SER A 115 2.484 6.131 -8.472 1.00 0.00 N ATOM 697 CA SER A 115 1.571 5.724 -9.534 1.00 0.00 C ATOM 698 C SER A 115 1.615 6.711 -10.696 1.00 0.00 C ATOM 699 O SER A 115 1.584 7.925 -10.495 1.00 0.00 O ATOM 700 CB SER A 115 0.144 5.616 -8.994 1.00 0.00 C ATOM 701 OG SER A 115 -0.546 6.847 -9.127 1.00 0.00 O ATOM 0 H SER A 115 2.264 7.033 -8.050 1.00 0.00 H new ATOM 0 HA SER A 115 1.889 4.747 -9.899 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.393 4.834 -9.531 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.170 5.322 -7.945 1.00 0.00 H new ATOM 0 HG SER A 115 -0.027 7.561 -8.701 1.00 0.00 H new ATOM 707 N ASP A 116 1.687 6.181 -11.912 1.00 0.00 N ATOM 708 CA ASP A 116 1.733 7.014 -13.108 1.00 0.00 C ATOM 709 C ASP A 116 0.359 7.600 -13.416 1.00 0.00 C ATOM 710 O ASP A 116 0.242 8.578 -14.153 1.00 0.00 O ATOM 711 CB ASP A 116 2.234 6.201 -14.302 1.00 0.00 C ATOM 712 CG ASP A 116 2.802 7.077 -15.401 1.00 0.00 C ATOM 713 OD1 ASP A 116 2.159 8.090 -15.744 1.00 0.00 O ATOM 714 OD2 ASP A 116 3.891 6.748 -15.920 1.00 0.00 O ATOM 0 H ASP A 116 1.715 5.178 -12.096 1.00 0.00 H new ATOM 0 HA ASP A 116 2.424 7.836 -12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 116 3.000 5.502 -13.966 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.413 5.606 -14.703 1.00 0.00 H new ATOM 719 N GLU A 117 -0.678 6.993 -12.847 1.00 0.00 N ATOM 720 CA GLU A 117 -2.045 7.455 -13.063 1.00 0.00 C ATOM 721 C GLU A 117 -2.677 7.916 -11.753 1.00 0.00 C ATOM 722 O GLU A 117 -2.943 7.111 -10.860 1.00 0.00 O ATOM 723 CB GLU A 117 -2.890 6.341 -13.685 1.00 0.00 C ATOM 724 CG GLU A 117 -2.397 5.894 -15.051 1.00 0.00 C ATOM 725 CD GLU A 117 -2.896 4.512 -15.427 1.00 0.00 C ATOM 726 OE1 GLU A 117 -4.114 4.268 -15.309 1.00 0.00 O ATOM 727 OE2 GLU A 117 -2.066 3.675 -15.840 1.00 0.00 O ATOM 0 H GLU A 117 -0.598 6.182 -12.234 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.011 8.302 -13.748 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.898 5.483 -13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.920 6.685 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.724 6.611 -15.804 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.307 5.897 -15.059 1.00 0.00 H new ATOM 734 N LYS A 118 -2.914 9.219 -11.644 1.00 0.00 N ATOM 735 CA LYS A 118 -3.515 9.791 -10.445 1.00 0.00 C ATOM 736 C LYS A 118 -4.582 8.862 -9.876 1.00 0.00 C ATOM 737 O LYS A 118 -5.680 8.751 -10.424 1.00 0.00 O ATOM 738 CB LYS A 118 -4.127 11.158 -10.758 1.00 0.00 C ATOM 739 CG LYS A 118 -5.200 11.112 -11.833 1.00 0.00 C ATOM 740 CD LYS A 118 -5.518 12.500 -12.362 1.00 0.00 C ATOM 741 CE LYS A 118 -4.440 12.994 -13.315 1.00 0.00 C ATOM 742 NZ LYS A 118 -4.434 12.227 -14.591 1.00 0.00 N ATOM 0 H LYS A 118 -2.699 9.900 -12.373 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.730 9.914 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.556 11.572 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -3.336 11.837 -11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.867 10.476 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.105 10.660 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.479 12.483 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -5.614 13.195 -11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.600 14.051 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.465 12.909 -12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.918 12.765 -15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.967 11.310 -14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.413 12.070 -14.906 1.00 0.00 H new ATOM 756 N LEU A 119 -4.255 8.198 -8.773 1.00 0.00 N ATOM 757 CA LEU A 119 -5.188 7.280 -8.128 1.00 0.00 C ATOM 758 C LEU A 119 -6.284 8.044 -7.393 1.00 0.00 C ATOM 759 O LEU A 119 -6.237 9.269 -7.288 1.00 0.00 O ATOM 760 CB LEU A 119 -4.442 6.368 -7.151 1.00 0.00 C ATOM 761 CG LEU A 119 -3.183 5.691 -7.693 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.456 4.949 -6.582 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.535 4.741 -8.829 1.00 0.00 C ATOM 0 H LEU A 119 -3.351 8.278 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.654 6.670 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.166 6.956 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.129 5.593 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.518 6.462 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.562 4.473 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.170 5.653 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.114 4.188 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.627 4.268 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.219 3.975 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.012 5.299 -9.635 1.00 0.00 H new ATOM 775 N SER A 120 -7.269 7.311 -6.883 1.00 0.00 N ATOM 776 CA SER A 120 -8.378 7.920 -6.158 1.00 0.00 C ATOM 777 C SER A 120 -8.498 7.333 -4.755 1.00 0.00 C ATOM 778 O SER A 120 -8.420 6.118 -4.569 1.00 0.00 O ATOM 779 CB SER A 120 -9.688 7.716 -6.923 1.00 0.00 C ATOM 780 OG SER A 120 -9.457 7.645 -8.319 1.00 0.00 O ATOM 0 H SER A 120 -7.321 6.295 -6.959 1.00 0.00 H new ATOM 0 HA SER A 120 -8.179 8.988 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.172 6.800 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.371 8.537 -6.706 1.00 0.00 H new ATOM 0 HG SER A 120 -9.179 6.736 -8.559 1.00 0.00 H new ATOM 786 N LEU A 121 -8.689 8.204 -3.771 1.00 0.00 N ATOM 787 CA LEU A 121 -8.820 7.773 -2.383 1.00 0.00 C ATOM 788 C LEU A 121 -9.797 6.608 -2.264 1.00 0.00 C ATOM 789 O LEU A 121 -10.966 6.725 -2.630 1.00 0.00 O ATOM 790 CB LEU A 121 -9.289 8.938 -1.509 1.00 0.00 C ATOM 791 CG LEU A 121 -8.313 10.107 -1.368 1.00 0.00 C ATOM 792 CD1 LEU A 121 -9.043 11.359 -0.908 1.00 0.00 C ATOM 793 CD2 LEU A 121 -7.195 9.753 -0.398 1.00 0.00 C ATOM 0 H LEU A 121 -8.757 9.213 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.841 7.439 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -10.225 9.319 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.510 8.553 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.871 10.307 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -8.333 12.180 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.808 11.623 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.513 11.172 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.510 10.596 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.620 9.527 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.654 8.883 -0.769 1.00 0.00 H new ATOM 805 N GLY A 122 -9.309 5.484 -1.748 1.00 0.00 N ATOM 806 CA GLY A 122 -10.153 4.314 -1.589 1.00 0.00 C ATOM 807 C GLY A 122 -9.986 3.319 -2.720 1.00 0.00 C ATOM 808 O GLY A 122 -10.681 2.305 -2.772 1.00 0.00 O ATOM 0 H GLY A 122 -8.345 5.363 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.918 3.826 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.196 4.627 -1.536 1.00 0.00 H new ATOM 812 N ASP A 123 -9.062 3.611 -3.630 1.00 0.00 N ATOM 813 CA ASP A 123 -8.806 2.734 -4.767 1.00 0.00 C ATOM 814 C ASP A 123 -7.843 1.615 -4.384 1.00 0.00 C ATOM 815 O ASP A 123 -6.812 1.857 -3.756 1.00 0.00 O ATOM 816 CB ASP A 123 -8.235 3.536 -5.938 1.00 0.00 C ATOM 817 CG ASP A 123 -9.262 4.461 -6.561 1.00 0.00 C ATOM 818 OD1 ASP A 123 -10.432 4.426 -6.127 1.00 0.00 O ATOM 819 OD2 ASP A 123 -8.896 5.219 -7.484 1.00 0.00 O ATOM 0 H ASP A 123 -8.479 4.447 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.753 2.287 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.384 4.123 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.861 2.849 -6.697 1.00 0.00 H new ATOM 824 N ARG A 124 -8.188 0.389 -4.765 1.00 0.00 N ATOM 825 CA ARG A 124 -7.355 -0.768 -4.459 1.00 0.00 C ATOM 826 C ARG A 124 -6.222 -0.906 -5.472 1.00 0.00 C ATOM 827 O ARG A 124 -6.431 -0.760 -6.676 1.00 0.00 O ATOM 828 CB ARG A 124 -8.201 -2.043 -4.448 1.00 0.00 C ATOM 829 CG ARG A 124 -8.790 -2.372 -3.086 1.00 0.00 C ATOM 830 CD ARG A 124 -10.003 -3.281 -3.207 1.00 0.00 C ATOM 831 NE ARG A 124 -10.575 -3.607 -1.904 1.00 0.00 N ATOM 832 CZ ARG A 124 -11.549 -4.494 -1.730 1.00 0.00 C ATOM 833 NH1 ARG A 124 -12.056 -5.139 -2.772 1.00 0.00 N ATOM 834 NH2 ARG A 124 -12.017 -4.736 -0.513 1.00 0.00 N ATOM 0 H ARG A 124 -9.038 0.172 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.920 -0.620 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.012 -1.937 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.586 -2.880 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.033 -2.855 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.074 -1.450 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.759 -2.796 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.717 -4.201 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.207 -3.128 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.698 -4.955 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.804 -5.819 -2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.629 -4.241 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.765 -5.417 -0.380 1.00 0.00 H new ATOM 848 N VAL A 125 -5.022 -1.186 -4.975 1.00 0.00 N ATOM 849 CA VAL A 125 -3.856 -1.344 -5.835 1.00 0.00 C ATOM 850 C VAL A 125 -2.950 -2.463 -5.334 1.00 0.00 C ATOM 851 O VAL A 125 -2.810 -2.669 -4.128 1.00 0.00 O ATOM 852 CB VAL A 125 -3.042 -0.039 -5.922 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.902 1.092 -6.465 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.468 0.322 -4.561 1.00 0.00 C ATOM 0 H VAL A 125 -4.832 -1.308 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.227 -1.599 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.212 -0.194 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.310 2.006 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.259 0.831 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.754 1.251 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.896 1.246 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.281 0.459 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.815 -0.480 -4.217 1.00 0.00 H new ATOM 864 N MET A 126 -2.335 -3.182 -6.267 1.00 0.00 N ATOM 865 CA MET A 126 -1.440 -4.280 -5.919 1.00 0.00 C ATOM 866 C MET A 126 0.011 -3.914 -6.217 1.00 0.00 C ATOM 867 O MET A 126 0.320 -3.379 -7.282 1.00 0.00 O ATOM 868 CB MET A 126 -1.827 -5.545 -6.687 1.00 0.00 C ATOM 869 CG MET A 126 -1.132 -6.799 -6.182 1.00 0.00 C ATOM 870 SD MET A 126 -2.035 -8.306 -6.590 1.00 0.00 S ATOM 871 CE MET A 126 -1.680 -8.449 -8.340 1.00 0.00 C ATOM 0 H MET A 126 -2.440 -3.024 -7.269 1.00 0.00 H new ATOM 0 HA MET A 126 -1.536 -4.469 -4.850 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.906 -5.685 -6.620 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.589 -5.407 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.131 -6.853 -6.610 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.013 -6.733 -5.101 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.171 -9.336 -8.739 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.050 -7.565 -8.860 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.603 -8.533 -8.487 1.00 0.00 H new ATOM 881 N VAL A 127 0.897 -4.205 -5.270 1.00 0.00 N ATOM 882 CA VAL A 127 2.315 -3.907 -5.432 1.00 0.00 C ATOM 883 C VAL A 127 2.930 -4.751 -6.542 1.00 0.00 C ATOM 884 O VAL A 127 2.897 -5.980 -6.494 1.00 0.00 O ATOM 885 CB VAL A 127 3.092 -4.152 -4.125 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.587 -3.988 -4.354 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.606 -3.212 -3.032 1.00 0.00 C ATOM 0 H VAL A 127 0.658 -4.647 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 127 2.389 -2.853 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 127 2.908 -5.176 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.120 -4.165 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.921 -4.705 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.793 -2.976 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.166 -3.399 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.758 -2.179 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.545 -3.383 -2.850 1.00 0.00 H new ATOM 897 N VAL A 128 3.493 -4.082 -7.544 1.00 0.00 N ATOM 898 CA VAL A 128 4.118 -4.770 -8.667 1.00 0.00 C ATOM 899 C VAL A 128 5.561 -5.146 -8.347 1.00 0.00 C ATOM 900 O VAL A 128 6.048 -6.194 -8.770 1.00 0.00 O ATOM 901 CB VAL A 128 4.095 -3.903 -9.939 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.935 -2.649 -9.747 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.584 -4.702 -11.137 1.00 0.00 C ATOM 0 H VAL A 128 3.529 -3.064 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 128 3.540 -5.677 -8.844 1.00 0.00 H new ATOM 0 HB VAL A 128 3.066 -3.597 -10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.906 -2.049 -10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.536 -2.067 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.965 -2.931 -9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.561 -4.074 -12.027 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.605 -5.039 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.937 -5.566 -11.286 1.00 0.00 H new ATOM 913 N ASP A 129 6.238 -4.283 -7.597 1.00 0.00 N ATOM 914 CA ASP A 129 7.626 -4.525 -7.218 1.00 0.00 C ATOM 915 C ASP A 129 8.032 -3.636 -6.047 1.00 0.00 C ATOM 916 O ASP A 129 7.577 -2.498 -5.931 1.00 0.00 O ATOM 917 CB ASP A 129 8.553 -4.276 -8.409 1.00 0.00 C ATOM 918 CG ASP A 129 9.819 -5.107 -8.341 1.00 0.00 C ATOM 919 OD1 ASP A 129 10.304 -5.358 -7.218 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.326 -5.506 -9.410 1.00 0.00 O ATOM 0 H ASP A 129 5.849 -3.410 -7.240 1.00 0.00 H new ATOM 0 HA ASP A 129 7.716 -5.566 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.022 -4.504 -9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.817 -3.219 -8.445 1.00 0.00 H new ATOM 925 N VAL A 130 8.891 -4.164 -5.180 1.00 0.00 N ATOM 926 CA VAL A 130 9.359 -3.418 -4.018 1.00 0.00 C ATOM 927 C VAL A 130 10.838 -3.071 -4.146 1.00 0.00 C ATOM 928 O VAL A 130 11.689 -3.957 -4.223 1.00 0.00 O ATOM 929 CB VAL A 130 9.140 -4.213 -2.717 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.804 -3.509 -1.543 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.655 -4.414 -2.458 1.00 0.00 C ATOM 0 H VAL A 130 9.276 -5.105 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 130 8.776 -2.498 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 130 9.601 -5.194 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.639 -4.085 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.875 -3.423 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.375 -2.514 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.520 -4.978 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.167 -3.444 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.212 -4.965 -3.288 1.00 0.00 H new ATOM 941 N ASP A 131 11.135 -1.777 -4.169 1.00 0.00 N ATOM 942 CA ASP A 131 12.513 -1.311 -4.286 1.00 0.00 C ATOM 943 C ASP A 131 13.047 -0.848 -2.935 1.00 0.00 C ATOM 944 O ASP A 131 13.621 0.234 -2.820 1.00 0.00 O ATOM 945 CB ASP A 131 12.603 -0.171 -5.302 1.00 0.00 C ATOM 946 CG ASP A 131 12.752 -0.674 -6.725 1.00 0.00 C ATOM 947 OD1 ASP A 131 11.890 -1.462 -7.168 1.00 0.00 O ATOM 948 OD2 ASP A 131 13.730 -0.281 -7.394 1.00 0.00 O ATOM 0 H ASP A 131 10.441 -1.032 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 131 13.125 -2.145 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 131 11.708 0.447 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.452 0.466 -5.054 1.00 0.00 H new ATOM 953 N GLY A 132 12.852 -1.675 -1.912 1.00 0.00 N ATOM 954 CA GLY A 132 13.319 -1.332 -0.581 1.00 0.00 C ATOM 955 C GLY A 132 12.222 -0.745 0.285 1.00 0.00 C ATOM 956 O GLY A 132 11.305 -1.452 0.703 1.00 0.00 O ATOM 0 H GLY A 132 12.379 -2.576 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.720 -2.224 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.138 -0.617 -0.660 1.00 0.00 H new ATOM 960 N LEU A 133 12.315 0.553 0.556 1.00 0.00 N ATOM 961 CA LEU A 133 11.323 1.236 1.379 1.00 0.00 C ATOM 962 C LEU A 133 10.161 1.737 0.528 1.00 0.00 C ATOM 963 O LEU A 133 9.280 2.445 1.016 1.00 0.00 O ATOM 964 CB LEU A 133 11.968 2.407 2.122 1.00 0.00 C ATOM 965 CG LEU A 133 12.579 2.082 3.486 1.00 0.00 C ATOM 966 CD1 LEU A 133 11.507 1.592 4.448 1.00 0.00 C ATOM 967 CD2 LEU A 133 13.683 1.045 3.343 1.00 0.00 C ATOM 0 H LEU A 133 13.067 1.153 0.218 1.00 0.00 H new ATOM 0 HA LEU A 133 10.935 0.522 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.748 2.828 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.215 3.183 2.259 1.00 0.00 H new ATOM 0 HG LEU A 133 13.015 2.994 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 133 11.960 1.366 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.751 2.366 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.041 0.692 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 133 14.106 0.826 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 133 13.271 0.132 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 133 14.464 1.433 2.689 1.00 0.00 H new ATOM 979 N LYS A 134 10.163 1.362 -0.747 1.00 0.00 N ATOM 980 CA LYS A 134 9.108 1.770 -1.666 1.00 0.00 C ATOM 981 C LYS A 134 8.590 0.577 -2.464 1.00 0.00 C ATOM 982 O LYS A 134 9.334 -0.363 -2.747 1.00 0.00 O ATOM 983 CB LYS A 134 9.624 2.850 -2.621 1.00 0.00 C ATOM 984 CG LYS A 134 10.494 2.306 -3.740 1.00 0.00 C ATOM 985 CD LYS A 134 10.860 3.392 -4.739 1.00 0.00 C ATOM 986 CE LYS A 134 11.376 2.799 -6.042 1.00 0.00 C ATOM 987 NZ LYS A 134 11.492 3.829 -7.111 1.00 0.00 N ATOM 0 H LYS A 134 10.884 0.776 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 134 8.285 2.176 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.774 3.375 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 134 10.195 3.584 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.403 1.876 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.968 1.501 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.986 4.012 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.620 4.043 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.350 2.340 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.704 2.007 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.305 3.607 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.623 3.835 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.628 4.765 -6.678 1.00 0.00 H new ATOM 1001 N LEU A 135 7.312 0.622 -2.825 1.00 0.00 N ATOM 1002 CA LEU A 135 6.696 -0.455 -3.592 1.00 0.00 C ATOM 1003 C LEU A 135 5.701 0.100 -4.606 1.00 0.00 C ATOM 1004 O LEU A 135 4.661 0.647 -4.238 1.00 0.00 O ATOM 1005 CB LEU A 135 5.991 -1.436 -2.654 1.00 0.00 C ATOM 1006 CG LEU A 135 5.440 -0.846 -1.355 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.218 -1.624 -0.891 1.00 0.00 C ATOM 1008 CD2 LEU A 135 6.512 -0.840 -0.275 1.00 0.00 C ATOM 0 H LEU A 135 6.683 1.392 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 135 7.483 -0.980 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.167 -1.899 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.692 -2.231 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 135 5.139 0.184 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.840 -1.190 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.444 -1.576 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.493 -2.664 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.102 -0.417 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.844 -1.861 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.358 -0.238 -0.606 1.00 0.00 H new ATOM 1020 N LYS A 136 6.026 -0.046 -5.886 1.00 0.00 N ATOM 1021 CA LYS A 136 5.161 0.438 -6.956 1.00 0.00 C ATOM 1022 C LYS A 136 3.797 -0.245 -6.902 1.00 0.00 C ATOM 1023 O LYS A 136 3.707 -1.467 -6.786 1.00 0.00 O ATOM 1024 CB LYS A 136 5.813 0.191 -8.318 1.00 0.00 C ATOM 1025 CG LYS A 136 4.949 0.619 -9.492 1.00 0.00 C ATOM 1026 CD LYS A 136 5.794 1.003 -10.695 1.00 0.00 C ATOM 1027 CE LYS A 136 5.044 1.944 -11.626 1.00 0.00 C ATOM 1028 NZ LYS A 136 5.056 3.346 -11.125 1.00 0.00 N ATOM 0 H LYS A 136 6.883 -0.496 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 136 5.018 1.510 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.761 0.728 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.043 -0.870 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 136 4.275 -0.193 -9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.327 1.465 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.714 1.480 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.083 0.104 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.495 1.909 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 136 4.013 1.605 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 4.900 4.000 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 4.300 3.470 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 5.976 3.549 -10.684 1.00 0.00 H new ATOM 1042 N VAL A 137 2.738 0.553 -6.990 1.00 0.00 N ATOM 1043 CA VAL A 137 1.379 0.026 -6.954 1.00 0.00 C ATOM 1044 C VAL A 137 0.637 0.332 -8.250 1.00 0.00 C ATOM 1045 O VAL A 137 0.731 1.435 -8.788 1.00 0.00 O ATOM 1046 CB VAL A 137 0.582 0.607 -5.771 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.205 0.184 -4.449 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.506 2.123 -5.873 1.00 0.00 C ATOM 0 H VAL A 137 2.795 1.567 -7.087 1.00 0.00 H new ATOM 0 HA VAL A 137 1.462 -1.054 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.433 0.212 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.629 0.604 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.202 -0.904 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.231 0.548 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.061 2.516 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.513 2.540 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.011 2.401 -6.804 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.103 -0.654 -8.748 1.00 0.00 N ATOM 1059 CA LYS A 138 -0.864 -0.492 -9.981 1.00 0.00 C ATOM 1060 C LYS A 138 -2.340 -0.802 -9.755 1.00 0.00 C ATOM 1061 O LYS A 138 -2.694 -1.899 -9.320 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.302 -1.403 -11.075 1.00 0.00 C ATOM 1063 CG LYS A 138 0.993 -0.896 -11.684 1.00 0.00 C ATOM 1064 CD LYS A 138 1.136 -1.328 -13.134 1.00 0.00 C ATOM 1065 CE LYS A 138 2.447 -0.846 -13.733 1.00 0.00 C ATOM 1066 NZ LYS A 138 2.316 0.509 -14.338 1.00 0.00 N ATOM 0 H LYS A 138 -0.191 -1.574 -8.316 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.774 0.546 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.133 -2.396 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.047 -1.511 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 138 1.023 0.192 -11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.838 -1.271 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 138 1.084 -2.415 -13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.303 -0.934 -13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.214 -0.825 -12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 138 2.780 -1.552 -14.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.231 0.802 -14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 1.602 0.484 -15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.023 1.189 -13.607 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.197 0.169 -10.053 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.634 -0.002 -9.881 1.00 0.00 C ATOM 1082 C ARG A 139 -5.093 -1.345 -10.441 1.00 0.00 C ATOM 1083 O ARG A 139 -4.683 -1.748 -11.530 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.390 1.135 -10.572 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.801 0.760 -10.995 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.724 1.968 -10.989 1.00 0.00 C ATOM 1087 NE ARG A 139 -8.382 2.148 -9.698 1.00 0.00 N ATOM 1088 CZ ARG A 139 -9.333 1.342 -9.239 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.735 0.306 -9.963 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -9.884 1.571 -8.054 1.00 0.00 N ATOM 0 H ARG A 139 -2.921 1.082 -10.415 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.852 0.021 -8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.437 1.991 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.828 1.452 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.779 0.323 -11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.193 -0.002 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.151 2.863 -11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.478 1.852 -11.767 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.096 2.936 -9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.314 0.127 -10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.465 -0.311 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.578 2.367 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.614 0.951 -7.703 1.00 0.00 H new ATOM 1104 N ILE A 140 -5.945 -2.034 -9.689 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.459 -3.331 -10.110 1.00 0.00 C ATOM 1106 C ILE A 140 -7.984 -3.337 -10.132 1.00 0.00 C ATOM 1107 O ILE A 140 -8.644 -2.676 -9.330 1.00 0.00 O ATOM 1108 CB ILE A 140 -5.965 -4.459 -9.185 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.333 -4.154 -7.731 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.462 -4.643 -9.330 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -5.959 -5.260 -6.769 1.00 0.00 C ATOM 0 H ILE A 140 -6.294 -1.715 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.083 -3.508 -11.118 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.454 -5.388 -9.476 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.837 -3.233 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.406 -3.974 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.128 -5.444 -8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.225 -4.901 -10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -3.954 -3.716 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.249 -4.976 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.476 -6.177 -7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.882 -5.425 -6.805 1.00 0.00 H new