USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 CYS SG : rot -3:sc=0.000575 USER MOD Set 1.2: A 85 CYS SG : rot 98:sc= 1.54 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -16:sc= -0.565 USER MOD Single : A 47 THR OG1 : rot -32:sc= 1.02 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0118 (180deg=-0.142) USER MOD Single : A 56 SER OG : rot -79:sc= 0.568 USER MOD Single : A 62 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.68) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.5!) USER MOD Single : A 80 SER OG : rot -70:sc= 0.887 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 160:sc= -0.0974 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.416 -13.972 -4.133 1.00 0.00 N ATOM 131 CA TRP A 13 11.424 -12.613 -4.661 1.00 0.00 C ATOM 132 C TRP A 13 11.196 -11.595 -3.549 1.00 0.00 C ATOM 133 O TRP A 13 11.934 -10.616 -3.431 1.00 0.00 O ATOM 134 CB TRP A 13 10.351 -12.457 -5.740 1.00 0.00 C ATOM 135 CG TRP A 13 10.778 -12.971 -7.082 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.265 -14.048 -7.748 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.807 -12.432 -7.918 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.914 -14.210 -8.948 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.863 -13.231 -9.077 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.685 -11.352 -7.802 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.764 -12.983 -10.109 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.578 -11.106 -8.828 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.612 -11.918 -9.970 1.00 0.00 C ATOM 0 HA TRP A 13 12.403 -12.427 -5.102 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.451 -12.986 -5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.087 -11.403 -5.830 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.467 -14.679 -7.385 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.720 -14.941 -9.632 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.667 -10.720 -6.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.793 -13.609 -10.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.261 -10.274 -8.748 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.321 -11.699 -10.755 1.00 0.00 H new ATOM 154 N ILE A 14 10.171 -11.832 -2.737 1.00 0.00 N ATOM 155 CA ILE A 14 9.848 -10.935 -1.634 1.00 0.00 C ATOM 156 C ILE A 14 10.850 -11.084 -0.494 1.00 0.00 C ATOM 157 O ILE A 14 10.656 -11.891 0.415 1.00 0.00 O ATOM 158 CB ILE A 14 8.430 -11.195 -1.094 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.413 -11.170 -2.237 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.069 -10.166 -0.034 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.214 -12.062 -1.999 1.00 0.00 C ATOM 0 H ILE A 14 9.550 -12.637 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 14 9.897 -9.920 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 14 8.408 -12.183 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.070 -10.146 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.907 -11.477 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.064 -10.364 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.779 -10.228 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.105 -9.167 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.536 -11.994 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.546 -13.094 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.696 -11.742 -1.095 1.00 0.00 H new ATOM 173 N VAL A 15 11.921 -10.298 -0.548 1.00 0.00 N ATOM 174 CA VAL A 15 12.952 -10.340 0.482 1.00 0.00 C ATOM 175 C VAL A 15 12.429 -9.794 1.806 1.00 0.00 C ATOM 176 O VAL A 15 12.963 -10.103 2.871 1.00 0.00 O ATOM 177 CB VAL A 15 14.196 -9.535 0.063 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.935 -8.042 0.194 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.402 -9.948 0.893 1.00 0.00 C ATOM 0 H VAL A 15 12.097 -9.625 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 15 13.231 -11.386 0.609 1.00 0.00 H new ATOM 0 HB VAL A 15 14.412 -9.752 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.825 -7.489 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.100 -7.761 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.693 -7.804 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.272 -9.369 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.199 -9.762 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.600 -11.009 0.743 1.00 0.00 H new ATOM 189 N TYR A 16 11.381 -8.982 1.732 1.00 0.00 N ATOM 190 CA TYR A 16 10.785 -8.391 2.924 1.00 0.00 C ATOM 191 C TYR A 16 9.494 -7.654 2.581 1.00 0.00 C ATOM 192 O TYR A 16 9.349 -7.069 1.507 1.00 0.00 O ATOM 193 CB TYR A 16 11.772 -7.430 3.590 1.00 0.00 C ATOM 194 CG TYR A 16 11.112 -6.417 4.498 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.270 -5.439 3.984 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.332 -6.438 5.870 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.666 -4.511 4.810 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.731 -5.515 6.704 1.00 0.00 C ATOM 199 CZ TYR A 16 9.898 -4.553 6.169 1.00 0.00 C ATOM 200 OH TYR A 16 9.299 -3.631 6.996 1.00 0.00 O ATOM 0 H TYR A 16 10.926 -8.718 0.858 1.00 0.00 H new ATOM 0 HA TYR A 16 10.548 -9.197 3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.494 -8.007 4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.331 -6.903 2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.084 -5.404 2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.984 -7.189 6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.015 -3.756 4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.912 -5.546 7.768 1.00 0.00 H new ATOM 0 HH TYR A 16 9.566 -3.801 7.923 1.00 0.00 H new ATOM 210 N PRO A 17 8.532 -7.681 3.515 1.00 0.00 N ATOM 211 CA PRO A 17 8.693 -8.374 4.797 1.00 0.00 C ATOM 212 C PRO A 17 8.717 -9.890 4.637 1.00 0.00 C ATOM 213 O PRO A 17 8.413 -10.416 3.567 1.00 0.00 O ATOM 214 CB PRO A 17 7.460 -7.939 5.593 1.00 0.00 C ATOM 215 CG PRO A 17 6.445 -7.594 4.558 1.00 0.00 C ATOM 216 CD PRO A 17 7.214 -7.038 3.392 1.00 0.00 C ATOM 0 HA PRO A 17 9.638 -8.124 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.106 -8.739 6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.682 -7.084 6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.873 -8.474 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.732 -6.863 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.736 -7.280 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.291 -5.952 3.442 1.00 0.00 H new ATOM 224 N SER A 18 9.080 -10.588 5.709 1.00 0.00 N ATOM 225 CA SER A 18 9.147 -12.044 5.686 1.00 0.00 C ATOM 226 C SER A 18 7.956 -12.654 6.421 1.00 0.00 C ATOM 227 O SER A 18 8.118 -13.318 7.444 1.00 0.00 O ATOM 228 CB SER A 18 10.453 -12.526 6.320 1.00 0.00 C ATOM 229 OG SER A 18 11.556 -12.281 5.464 1.00 0.00 O ATOM 0 H SER A 18 9.332 -10.168 6.604 1.00 0.00 H new ATOM 0 HA SER A 18 9.115 -12.368 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.608 -12.019 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.385 -13.592 6.535 1.00 0.00 H new ATOM 0 HG SER A 18 12.379 -12.596 5.893 1.00 0.00 H new ATOM 235 N GLY A 19 6.759 -12.423 5.890 1.00 0.00 N ATOM 236 CA GLY A 19 5.559 -12.955 6.508 1.00 0.00 C ATOM 237 C GLY A 19 4.370 -12.026 6.361 1.00 0.00 C ATOM 238 O GLY A 19 4.164 -11.431 5.302 1.00 0.00 O ATOM 0 H GLY A 19 6.599 -11.877 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.320 -13.919 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.748 -13.134 7.567 1.00 0.00 H new ATOM 242 N LYS A 20 3.584 -11.901 7.424 1.00 0.00 N ATOM 243 CA LYS A 20 2.409 -11.038 7.410 1.00 0.00 C ATOM 244 C LYS A 20 2.713 -9.693 8.062 1.00 0.00 C ATOM 245 O LYS A 20 3.508 -9.611 8.999 1.00 0.00 O ATOM 246 CB LYS A 20 1.244 -11.716 8.135 1.00 0.00 C ATOM 247 CG LYS A 20 0.355 -12.541 7.220 1.00 0.00 C ATOM 248 CD LYS A 20 0.978 -13.891 6.907 1.00 0.00 C ATOM 249 CE LYS A 20 -0.084 -14.950 6.657 1.00 0.00 C ATOM 250 NZ LYS A 20 0.449 -16.327 6.852 1.00 0.00 N ATOM 0 H LYS A 20 3.739 -12.387 8.307 1.00 0.00 H new ATOM 0 HA LYS A 20 2.131 -10.863 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.641 -12.360 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.639 -10.953 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.617 -12.688 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.180 -11.996 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.619 -13.803 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.614 -14.201 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.925 -14.787 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.466 -14.849 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.305 -17.020 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.235 -16.492 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.790 -16.432 7.829 1.00 0.00 H new ATOM 264 N VAL A 21 2.075 -8.640 7.562 1.00 0.00 N ATOM 265 CA VAL A 21 2.275 -7.298 8.098 1.00 0.00 C ATOM 266 C VAL A 21 0.945 -6.580 8.294 1.00 0.00 C ATOM 267 O VAL A 21 0.250 -6.264 7.329 1.00 0.00 O ATOM 268 CB VAL A 21 3.171 -6.453 7.173 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.301 -5.034 7.706 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.539 -7.101 7.018 1.00 0.00 C ATOM 0 H VAL A 21 1.415 -8.690 6.786 1.00 0.00 H new ATOM 0 HA VAL A 21 2.767 -7.413 9.064 1.00 0.00 H new ATOM 0 HB VAL A 21 2.704 -6.405 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.938 -4.452 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.314 -4.574 7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.744 -5.058 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.159 -6.490 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.016 -7.182 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.424 -8.095 6.587 1.00 0.00 H new ATOM 280 N TYR A 22 0.597 -6.326 9.551 1.00 0.00 N ATOM 281 CA TYR A 22 -0.652 -5.647 9.875 1.00 0.00 C ATOM 282 C TYR A 22 -0.432 -4.144 10.023 1.00 0.00 C ATOM 283 O TYR A 22 0.493 -3.704 10.705 1.00 0.00 O ATOM 284 CB TYR A 22 -1.246 -6.215 11.164 1.00 0.00 C ATOM 285 CG TYR A 22 -1.840 -7.596 11.000 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.127 -8.610 10.370 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.112 -7.888 11.475 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.666 -9.873 10.217 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.658 -9.149 11.327 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.931 -10.137 10.697 1.00 0.00 C ATOM 291 OH TYR A 22 -3.471 -11.394 10.548 1.00 0.00 O ATOM 0 H TYR A 22 1.162 -6.580 10.361 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.351 -5.815 9.056 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.469 -6.251 11.927 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.018 -5.537 11.528 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.135 -8.407 9.994 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.684 -7.116 11.969 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.099 -10.649 9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.648 -9.359 11.703 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.368 -11.413 10.942 1.00 0.00 H new ATOM 301 N VAL A 23 -1.291 -3.361 9.378 1.00 0.00 N ATOM 302 CA VAL A 23 -1.193 -1.907 9.438 1.00 0.00 C ATOM 303 C VAL A 23 -2.550 -1.277 9.729 1.00 0.00 C ATOM 304 O VAL A 23 -3.570 -1.692 9.179 1.00 0.00 O ATOM 305 CB VAL A 23 -0.642 -1.327 8.122 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.384 0.166 8.263 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.626 -2.058 7.707 1.00 0.00 C ATOM 0 H VAL A 23 -2.062 -3.709 8.808 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.504 -1.669 10.248 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.389 -1.471 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.005 0.558 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.316 0.674 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.344 0.336 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.001 -1.635 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.381 -1.948 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.406 -3.116 7.562 1.00 0.00 H new ATOM 317 N ALA A 24 -2.555 -0.271 10.598 1.00 0.00 N ATOM 318 CA ALA A 24 -3.787 0.419 10.961 1.00 0.00 C ATOM 319 C ALA A 24 -3.764 1.868 10.488 1.00 0.00 C ATOM 320 O ALA A 24 -2.921 2.657 10.915 1.00 0.00 O ATOM 321 CB ALA A 24 -4.003 0.356 12.466 1.00 0.00 C ATOM 0 H ALA A 24 -1.720 0.084 11.064 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.617 -0.084 10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.926 0.875 12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.073 -0.685 12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.165 0.833 12.974 1.00 0.00 H new ATOM 327 N ALA A 25 -4.694 2.212 9.604 1.00 0.00 N ATOM 328 CA ALA A 25 -4.781 3.567 9.074 1.00 0.00 C ATOM 329 C ALA A 25 -6.116 4.212 9.431 1.00 0.00 C ATOM 330 O ALA A 25 -6.984 3.576 10.030 1.00 0.00 O ATOM 331 CB ALA A 25 -4.584 3.558 7.565 1.00 0.00 C ATOM 0 H ALA A 25 -5.398 1.571 9.239 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.988 4.160 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.652 4.577 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.603 3.146 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.356 2.945 7.101 1.00 0.00 H new ATOM 337 N VAL A 26 -6.275 5.478 9.060 1.00 0.00 N ATOM 338 CA VAL A 26 -7.505 6.209 9.341 1.00 0.00 C ATOM 339 C VAL A 26 -8.035 6.895 8.087 1.00 0.00 C ATOM 340 O VAL A 26 -7.291 7.132 7.135 1.00 0.00 O ATOM 341 CB VAL A 26 -7.291 7.267 10.440 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.581 7.507 11.209 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.172 6.840 11.379 1.00 0.00 C ATOM 0 H VAL A 26 -5.567 6.019 8.564 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.235 5.478 9.688 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.999 8.204 9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.410 8.257 11.981 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.352 7.860 10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.906 6.576 11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.034 7.599 12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.432 5.891 11.847 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.247 6.724 10.814 1.00 0.00 H new ATOM 353 N ARG A 27 -9.326 7.213 8.094 1.00 0.00 N ATOM 354 CA ARG A 27 -9.956 7.871 6.956 1.00 0.00 C ATOM 355 C ARG A 27 -9.128 9.066 6.492 1.00 0.00 C ATOM 356 O ARG A 27 -8.953 10.037 7.229 1.00 0.00 O ATOM 357 CB ARG A 27 -11.369 8.328 7.324 1.00 0.00 C ATOM 358 CG ARG A 27 -12.106 9.009 6.181 1.00 0.00 C ATOM 359 CD ARG A 27 -13.607 8.784 6.274 1.00 0.00 C ATOM 360 NE ARG A 27 -14.362 9.886 5.684 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.616 9.773 5.260 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.252 8.614 5.360 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.237 10.822 4.735 1.00 0.00 N ATOM 0 H ARG A 27 -9.955 7.026 8.875 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.014 7.152 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.947 7.465 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.311 9.015 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.896 10.078 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.738 8.626 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.866 7.854 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.892 8.668 7.320 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.902 10.792 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.779 7.806 5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.215 8.531 5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.751 11.716 4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.200 10.735 4.410 1.00 0.00 H new ATOM 377 N LEU A 28 -8.621 8.987 5.267 1.00 0.00 N ATOM 378 CA LEU A 28 -7.811 10.062 4.704 1.00 0.00 C ATOM 379 C LEU A 28 -6.462 10.154 5.410 1.00 0.00 C ATOM 380 O LEU A 28 -5.937 11.246 5.625 1.00 0.00 O ATOM 381 CB LEU A 28 -8.550 11.396 4.815 1.00 0.00 C ATOM 382 CG LEU A 28 -10.004 11.400 4.342 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.668 12.728 4.669 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.080 11.117 2.849 1.00 0.00 C ATOM 0 H LEU A 28 -8.756 8.190 4.645 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.635 9.838 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.527 11.715 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.000 12.142 4.241 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.539 10.610 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.702 12.712 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.647 12.890 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.132 13.535 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.122 11.124 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.529 11.884 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.643 10.140 2.641 1.00 0.00 H new ATOM 396 N GLU A 29 -5.906 9.000 5.767 1.00 0.00 N ATOM 397 CA GLU A 29 -4.618 8.952 6.448 1.00 0.00 C ATOM 398 C GLU A 29 -3.493 8.647 5.463 1.00 0.00 C ATOM 399 O GLU A 29 -3.726 8.082 4.395 1.00 0.00 O ATOM 400 CB GLU A 29 -4.640 7.896 7.556 1.00 0.00 C ATOM 401 CG GLU A 29 -3.324 7.771 8.304 1.00 0.00 C ATOM 402 CD GLU A 29 -3.023 8.986 9.160 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.662 10.037 8.944 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.148 8.886 10.046 1.00 0.00 O ATOM 0 H GLU A 29 -6.327 8.087 5.596 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.434 9.930 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.430 8.143 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.894 6.930 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.352 6.884 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.515 7.626 7.588 1.00 0.00 H new ATOM 411 N ARG A 30 -2.274 9.027 5.831 1.00 0.00 N ATOM 412 CA ARG A 30 -1.113 8.797 4.979 1.00 0.00 C ATOM 413 C ARG A 30 -0.314 7.591 5.464 1.00 0.00 C ATOM 414 O ARG A 30 0.343 7.645 6.504 1.00 0.00 O ATOM 415 CB ARG A 30 -0.218 10.038 4.954 1.00 0.00 C ATOM 416 CG ARG A 30 0.972 9.912 4.017 1.00 0.00 C ATOM 417 CD ARG A 30 2.170 9.292 4.718 1.00 0.00 C ATOM 418 NE ARG A 30 3.425 9.607 4.040 1.00 0.00 N ATOM 419 CZ ARG A 30 4.609 9.589 4.641 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.700 9.272 5.925 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.706 9.888 3.957 1.00 0.00 N ATOM 0 H ARG A 30 -2.065 9.495 6.713 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.469 8.594 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.815 10.900 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.144 10.235 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.696 9.302 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.242 10.897 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.214 9.651 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.044 8.210 4.763 1.00 0.00 H new ATOM 0 HE ARG A 30 3.390 9.854 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.859 9.041 6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.611 9.259 6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.640 10.132 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.615 9.874 4.419 1.00 0.00 H new ATOM 435 N VAL A 31 -0.374 6.503 4.703 1.00 0.00 N ATOM 436 CA VAL A 31 0.344 5.283 5.054 1.00 0.00 C ATOM 437 C VAL A 31 1.500 5.030 4.093 1.00 0.00 C ATOM 438 O VAL A 31 1.524 5.559 2.982 1.00 0.00 O ATOM 439 CB VAL A 31 -0.592 4.060 5.048 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.783 4.293 5.965 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.052 3.748 3.632 1.00 0.00 C ATOM 0 H VAL A 31 -0.913 6.441 3.839 1.00 0.00 H new ATOM 0 HA VAL A 31 0.737 5.425 6.061 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.038 3.200 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.433 3.418 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.431 4.463 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.340 5.165 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.713 2.881 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.588 4.606 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.185 3.533 3.007 1.00 0.00 H new ATOM 451 N VAL A 32 2.457 4.217 4.529 1.00 0.00 N ATOM 452 CA VAL A 32 3.616 3.892 3.707 1.00 0.00 C ATOM 453 C VAL A 32 3.993 2.421 3.846 1.00 0.00 C ATOM 454 O VAL A 32 4.552 2.005 4.862 1.00 0.00 O ATOM 455 CB VAL A 32 4.832 4.760 4.082 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.042 4.375 3.244 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.504 6.236 3.915 1.00 0.00 C ATOM 0 H VAL A 32 2.452 3.772 5.447 1.00 0.00 H new ATOM 0 HA VAL A 32 3.338 4.097 2.673 1.00 0.00 H new ATOM 0 HB VAL A 32 5.075 4.582 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.891 4.999 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.288 3.328 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.815 4.522 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.374 6.835 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.234 6.434 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.668 6.499 4.563 1.00 0.00 H new ATOM 467 N LEU A 33 3.685 1.637 2.819 1.00 0.00 N ATOM 468 CA LEU A 33 3.992 0.211 2.825 1.00 0.00 C ATOM 469 C LEU A 33 5.458 -0.032 2.483 1.00 0.00 C ATOM 470 O LEU A 33 6.026 0.639 1.620 1.00 0.00 O ATOM 471 CB LEU A 33 3.095 -0.528 1.830 1.00 0.00 C ATOM 472 CG LEU A 33 1.791 -1.094 2.394 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.131 -0.089 3.325 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.846 -1.481 1.267 1.00 0.00 C ATOM 0 H LEU A 33 3.223 1.965 1.971 1.00 0.00 H new ATOM 0 HA LEU A 33 3.804 -0.172 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.850 0.154 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.666 -1.349 1.396 1.00 0.00 H new ATOM 0 HG LEU A 33 2.025 -1.990 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.205 -0.509 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.804 0.138 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.910 0.826 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.076 -1.882 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.618 -0.601 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.318 -2.238 0.640 1.00 0.00 H new ATOM 486 N THR A 34 6.068 -0.997 3.164 1.00 0.00 N ATOM 487 CA THR A 34 7.467 -1.330 2.932 1.00 0.00 C ATOM 488 C THR A 34 7.610 -2.729 2.343 1.00 0.00 C ATOM 489 O THR A 34 7.280 -3.722 2.992 1.00 0.00 O ATOM 490 CB THR A 34 8.288 -1.248 4.233 1.00 0.00 C ATOM 491 OG1 THR A 34 7.987 -0.031 4.926 1.00 0.00 O ATOM 492 CG2 THR A 34 9.778 -1.314 3.938 1.00 0.00 C ATOM 0 H THR A 34 5.614 -1.562 3.882 1.00 0.00 H new ATOM 0 HA THR A 34 7.851 -0.598 2.221 1.00 0.00 H new ATOM 0 HB THR A 34 8.020 -2.099 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.511 0.013 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.337 -1.254 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.008 -2.254 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.059 -0.481 3.293 1.00 0.00 H new ATOM 500 N CYS A 35 8.103 -2.799 1.111 1.00 0.00 N ATOM 501 CA CYS A 35 8.288 -4.078 0.434 1.00 0.00 C ATOM 502 C CYS A 35 9.614 -4.106 -0.320 1.00 0.00 C ATOM 503 O CYS A 35 9.756 -3.475 -1.367 1.00 0.00 O ATOM 504 CB CYS A 35 7.132 -4.340 -0.531 1.00 0.00 C ATOM 505 SG CYS A 35 6.732 -6.091 -0.746 1.00 0.00 S ATOM 0 H CYS A 35 8.381 -1.986 0.561 1.00 0.00 H new ATOM 0 HA CYS A 35 8.304 -4.863 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.246 -3.818 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.380 -3.913 -1.503 1.00 0.00 H new ATOM 0 HG CYS A 35 7.566 -6.814 -0.059 1.00 0.00 H new ATOM 511 N GLU A 36 10.581 -4.841 0.220 1.00 0.00 N ATOM 512 CA GLU A 36 11.895 -4.949 -0.402 1.00 0.00 C ATOM 513 C GLU A 36 11.986 -6.201 -1.270 1.00 0.00 C ATOM 514 O GLU A 36 11.306 -7.196 -1.017 1.00 0.00 O ATOM 515 CB GLU A 36 12.989 -4.976 0.667 1.00 0.00 C ATOM 516 CG GLU A 36 14.388 -4.767 0.112 1.00 0.00 C ATOM 517 CD GLU A 36 15.322 -4.117 1.114 1.00 0.00 C ATOM 518 OE1 GLU A 36 14.927 -3.100 1.721 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.449 -4.626 1.290 1.00 0.00 O ATOM 0 H GLU A 36 10.479 -5.370 1.086 1.00 0.00 H new ATOM 0 HA GLU A 36 12.040 -4.076 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.782 -4.203 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.953 -5.933 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.801 -5.728 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.331 -4.146 -0.782 1.00 0.00 H new ATOM 526 N LEU A 37 12.829 -6.143 -2.295 1.00 0.00 N ATOM 527 CA LEU A 37 13.009 -7.271 -3.202 1.00 0.00 C ATOM 528 C LEU A 37 14.457 -7.750 -3.194 1.00 0.00 C ATOM 529 O LEU A 37 15.331 -7.107 -2.612 1.00 0.00 O ATOM 530 CB LEU A 37 12.597 -6.880 -4.623 1.00 0.00 C ATOM 531 CG LEU A 37 11.196 -6.288 -4.776 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.991 -5.759 -6.187 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.137 -7.327 -4.435 1.00 0.00 C ATOM 0 H LEU A 37 13.399 -5.327 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 37 12.373 -8.087 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.319 -6.157 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.667 -7.764 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 37 11.097 -5.455 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.988 -5.342 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.727 -4.983 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.110 -6.573 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.146 -6.888 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.235 -8.180 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.270 -7.658 -3.405 1.00 0.00 H new ATOM 545 N CYS A 38 14.704 -8.882 -3.845 1.00 0.00 N ATOM 546 CA CYS A 38 16.047 -9.447 -3.914 1.00 0.00 C ATOM 547 C CYS A 38 16.755 -9.011 -5.193 1.00 0.00 C ATOM 548 O CYS A 38 17.780 -9.578 -5.570 1.00 0.00 O ATOM 549 CB CYS A 38 15.984 -10.973 -3.846 1.00 0.00 C ATOM 550 SG CYS A 38 15.029 -11.733 -5.180 1.00 0.00 S ATOM 0 H CYS A 38 13.992 -9.426 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 38 16.616 -9.076 -3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.999 -11.369 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.549 -11.266 -2.890 1.00 0.00 H new ATOM 0 HG CYS A 38 14.301 -10.827 -5.763 1.00 0.00 H new ATOM 556 N ARG A 39 16.199 -8.003 -5.856 1.00 0.00 N ATOM 557 CA ARG A 39 16.776 -7.493 -7.094 1.00 0.00 C ATOM 558 C ARG A 39 16.449 -6.014 -7.278 1.00 0.00 C ATOM 559 O ARG A 39 15.397 -5.529 -6.860 1.00 0.00 O ATOM 560 CB ARG A 39 16.257 -8.293 -8.291 1.00 0.00 C ATOM 561 CG ARG A 39 16.782 -9.718 -8.344 1.00 0.00 C ATOM 562 CD ARG A 39 18.301 -9.749 -8.424 1.00 0.00 C ATOM 563 NE ARG A 39 18.805 -8.976 -9.556 1.00 0.00 N ATOM 564 CZ ARG A 39 20.080 -8.629 -9.699 1.00 0.00 C ATOM 565 NH1 ARG A 39 20.973 -8.985 -8.786 1.00 0.00 N ATOM 566 NH2 ARG A 39 20.462 -7.925 -10.756 1.00 0.00 N ATOM 0 H ARG A 39 15.350 -7.523 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 39 17.859 -7.603 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.168 -8.317 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.536 -7.778 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.452 -10.262 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.360 -10.230 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.721 -9.353 -7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.638 -10.782 -8.511 1.00 0.00 H new ATOM 0 HE ARG A 39 18.143 -8.687 -10.276 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.682 -9.526 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.951 -8.718 -8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.777 -7.649 -11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.441 -7.659 -10.865 1.00 0.00 H new ATOM 580 N PRO A 40 17.371 -5.278 -7.917 1.00 0.00 N ATOM 581 CA PRO A 40 17.203 -3.844 -8.170 1.00 0.00 C ATOM 582 C PRO A 40 16.119 -3.561 -9.204 1.00 0.00 C ATOM 583 O PRO A 40 15.215 -2.761 -8.965 1.00 0.00 O ATOM 584 CB PRO A 40 18.573 -3.415 -8.700 1.00 0.00 C ATOM 585 CG PRO A 40 19.159 -4.655 -9.284 1.00 0.00 C ATOM 586 CD PRO A 40 18.648 -5.790 -8.441 1.00 0.00 C ATOM 0 HA PRO A 40 16.889 -3.306 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.479 -2.630 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.200 -3.019 -7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.859 -4.776 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.248 -4.617 -9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.506 -6.696 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.342 -6.038 -7.637 1.00 0.00 H new ATOM 594 N TRP A 41 16.216 -4.222 -10.352 1.00 0.00 N ATOM 595 CA TRP A 41 15.242 -4.041 -11.422 1.00 0.00 C ATOM 596 C TRP A 41 14.058 -4.984 -11.246 1.00 0.00 C ATOM 597 O TRP A 41 13.296 -5.221 -12.183 1.00 0.00 O ATOM 598 CB TRP A 41 15.900 -4.277 -12.783 1.00 0.00 C ATOM 599 CG TRP A 41 16.901 -5.392 -12.773 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.252 -5.282 -12.942 1.00 0.00 C ATOM 601 CD2 TRP A 41 16.630 -6.785 -12.587 1.00 0.00 C ATOM 602 NE1 TRP A 41 18.837 -6.523 -12.872 1.00 0.00 N ATOM 603 CE2 TRP A 41 17.864 -7.462 -12.654 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.467 -7.527 -12.368 1.00 0.00 C ATOM 605 CZ2 TRP A 41 17.964 -8.843 -12.511 1.00 0.00 C ATOM 606 CZ3 TRP A 41 15.567 -8.898 -12.227 1.00 0.00 C ATOM 607 CH2 TRP A 41 16.808 -9.544 -12.298 1.00 0.00 C ATOM 0 H TRP A 41 16.959 -4.888 -10.566 1.00 0.00 H new ATOM 0 HA TRP A 41 14.875 -3.016 -11.376 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.127 -4.499 -13.519 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.392 -3.359 -13.105 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.782 -4.356 -13.106 1.00 0.00 H new ATOM 0 HE1 TRP A 41 19.834 -6.714 -12.967 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.506 -7.038 -12.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.920 -9.343 -12.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 14.674 -9.481 -12.059 1.00 0.00 H new ATOM 0 HH2 TRP A 41 16.853 -10.617 -12.182 1.00 0.00 H new ATOM 618 N ALA A 42 13.908 -5.520 -10.039 1.00 0.00 N ATOM 619 CA ALA A 42 12.814 -6.436 -9.740 1.00 0.00 C ATOM 620 C ALA A 42 11.482 -5.696 -9.670 1.00 0.00 C ATOM 621 O ALA A 42 11.237 -4.930 -8.739 1.00 0.00 O ATOM 622 CB ALA A 42 13.082 -7.170 -8.435 1.00 0.00 C ATOM 0 H ALA A 42 14.531 -5.336 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 42 12.752 -7.165 -10.548 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.257 -7.850 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.008 -7.738 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.173 -6.448 -7.624 1.00 0.00 H new ATOM 628 N GLU A 43 10.627 -5.931 -10.660 1.00 0.00 N ATOM 629 CA GLU A 43 9.321 -5.285 -10.710 1.00 0.00 C ATOM 630 C GLU A 43 8.297 -6.062 -9.888 1.00 0.00 C ATOM 631 O GLU A 43 8.431 -7.270 -9.692 1.00 0.00 O ATOM 632 CB GLU A 43 8.842 -5.163 -12.159 1.00 0.00 C ATOM 633 CG GLU A 43 9.286 -3.880 -12.841 1.00 0.00 C ATOM 634 CD GLU A 43 8.684 -2.642 -12.203 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.467 -2.650 -11.925 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.431 -1.666 -11.982 1.00 0.00 O ATOM 0 H GLU A 43 10.815 -6.564 -11.438 1.00 0.00 H new ATOM 0 HA GLU A 43 9.422 -4.287 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.214 -6.015 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.754 -5.217 -12.179 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.373 -3.811 -12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.004 -3.916 -13.893 1.00 0.00 H new ATOM 643 N VAL A 44 7.275 -5.361 -9.410 1.00 0.00 N ATOM 644 CA VAL A 44 6.227 -5.984 -8.610 1.00 0.00 C ATOM 645 C VAL A 44 4.853 -5.444 -8.987 1.00 0.00 C ATOM 646 O VAL A 44 4.740 -4.471 -9.733 1.00 0.00 O ATOM 647 CB VAL A 44 6.461 -5.757 -7.104 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.820 -6.298 -6.687 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.339 -4.279 -6.764 1.00 0.00 C ATOM 0 H VAL A 44 7.150 -4.360 -9.563 1.00 0.00 H new ATOM 0 HA VAL A 44 6.263 -7.053 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 44 5.696 -6.299 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.967 -6.129 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.865 -7.367 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.603 -5.786 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.507 -4.136 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.082 -3.714 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.341 -3.927 -7.024 1.00 0.00 H new ATOM 659 N ARG A 45 3.809 -6.081 -8.466 1.00 0.00 N ATOM 660 CA ARG A 45 2.441 -5.665 -8.748 1.00 0.00 C ATOM 661 C ARG A 45 1.552 -5.851 -7.522 1.00 0.00 C ATOM 662 O ARG A 45 1.480 -6.941 -6.954 1.00 0.00 O ATOM 663 CB ARG A 45 1.876 -6.462 -9.926 1.00 0.00 C ATOM 664 CG ARG A 45 0.442 -6.097 -10.276 1.00 0.00 C ATOM 665 CD ARG A 45 -0.020 -6.806 -11.539 1.00 0.00 C ATOM 666 NE ARG A 45 0.879 -6.565 -12.663 1.00 0.00 N ATOM 667 CZ ARG A 45 0.683 -7.058 -13.881 1.00 0.00 C ATOM 668 NH1 ARG A 45 -0.377 -7.815 -14.130 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.546 -6.794 -14.853 1.00 0.00 N ATOM 0 H ARG A 45 3.885 -6.887 -7.846 1.00 0.00 H new ATOM 0 HA ARG A 45 2.456 -4.606 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.507 -6.300 -10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.924 -7.525 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.215 -6.362 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.363 -5.019 -10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.084 -7.878 -11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.023 -6.467 -11.798 1.00 0.00 H new ATOM 0 HE ARG A 45 1.704 -5.986 -12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.044 -8.020 -13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.526 -8.192 -15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.362 -6.211 -14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.394 -7.174 -15.787 1.00 0.00 H new ATOM 683 N TRP A 46 0.878 -4.779 -7.119 1.00 0.00 N ATOM 684 CA TRP A 46 -0.005 -4.824 -5.959 1.00 0.00 C ATOM 685 C TRP A 46 -1.436 -5.145 -6.377 1.00 0.00 C ATOM 686 O TRP A 46 -1.957 -4.575 -7.337 1.00 0.00 O ATOM 687 CB TRP A 46 0.034 -3.491 -5.211 1.00 0.00 C ATOM 688 CG TRP A 46 1.418 -3.072 -4.816 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.367 -2.512 -5.623 1.00 0.00 C ATOM 690 CD2 TRP A 46 2.008 -3.181 -3.516 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.511 -2.267 -4.903 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.316 -2.668 -3.608 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.557 -3.661 -2.283 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.176 -2.623 -2.514 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.413 -3.616 -1.198 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.709 -3.099 -1.319 1.00 0.00 C ATOM 0 H TRP A 46 0.926 -3.869 -7.578 1.00 0.00 H new ATOM 0 HA TRP A 46 0.346 -5.615 -5.296 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.407 -2.717 -5.839 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.584 -3.566 -4.317 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.237 -2.294 -6.673 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.367 -1.853 -5.273 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.559 -4.060 -2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.176 -2.226 -2.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.076 -3.986 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.353 -3.076 -0.452 1.00 0.00 H new ATOM 707 N THR A 47 -2.069 -6.061 -5.651 1.00 0.00 N ATOM 708 CA THR A 47 -3.440 -6.458 -5.947 1.00 0.00 C ATOM 709 C THR A 47 -4.321 -6.361 -4.707 1.00 0.00 C ATOM 710 O THR A 47 -3.898 -6.708 -3.604 1.00 0.00 O ATOM 711 CB THR A 47 -3.502 -7.896 -6.496 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.915 -8.804 -5.558 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.778 -7.998 -7.830 1.00 0.00 C ATOM 0 H THR A 47 -1.654 -6.542 -4.853 1.00 0.00 H new ATOM 0 HA THR A 47 -3.811 -5.770 -6.707 1.00 0.00 H new ATOM 0 HB THR A 47 -4.549 -8.158 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.195 -8.351 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.835 -9.023 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.246 -7.327 -8.550 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.733 -7.717 -7.699 1.00 0.00 H new ATOM 721 N LYS A 48 -5.548 -5.887 -4.894 1.00 0.00 N ATOM 722 CA LYS A 48 -6.491 -5.746 -3.791 1.00 0.00 C ATOM 723 C LYS A 48 -7.626 -6.758 -3.912 1.00 0.00 C ATOM 724 O LYS A 48 -8.620 -6.511 -4.594 1.00 0.00 O ATOM 725 CB LYS A 48 -7.061 -4.326 -3.759 1.00 0.00 C ATOM 726 CG LYS A 48 -7.471 -3.867 -2.370 1.00 0.00 C ATOM 727 CD LYS A 48 -7.805 -2.385 -2.349 1.00 0.00 C ATOM 728 CE LYS A 48 -8.849 -2.064 -1.290 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.201 -2.554 -1.677 1.00 0.00 N ATOM 0 H LYS A 48 -5.913 -5.594 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.955 -5.937 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.317 -3.636 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.927 -4.276 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.336 -4.441 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.664 -4.069 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.900 -1.810 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.173 -2.080 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.556 -2.517 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.885 -0.986 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.921 -2.081 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.373 -2.342 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.254 -3.582 -1.526 1.00 0.00 H new ATOM 743 N ASP A 49 -7.470 -7.897 -3.246 1.00 0.00 N ATOM 744 CA ASP A 49 -8.483 -8.945 -3.277 1.00 0.00 C ATOM 745 C ASP A 49 -8.470 -9.674 -4.617 1.00 0.00 C ATOM 746 O ASP A 49 -9.492 -10.194 -5.062 1.00 0.00 O ATOM 747 CB ASP A 49 -9.869 -8.353 -3.018 1.00 0.00 C ATOM 748 CG ASP A 49 -10.883 -9.405 -2.613 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.990 -9.689 -1.401 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.568 -9.945 -3.506 1.00 0.00 O ATOM 0 H ASP A 49 -6.652 -8.118 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.251 -9.663 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.798 -7.600 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.217 -7.844 -3.917 1.00 0.00 H new ATOM 755 N GLY A 50 -7.304 -9.707 -5.255 1.00 0.00 N ATOM 756 CA GLY A 50 -7.180 -10.374 -6.539 1.00 0.00 C ATOM 757 C GLY A 50 -7.071 -9.396 -7.692 1.00 0.00 C ATOM 758 O GLY A 50 -6.397 -9.669 -8.684 1.00 0.00 O ATOM 0 H GLY A 50 -6.444 -9.284 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.300 -11.017 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.044 -11.020 -6.695 1.00 0.00 H new ATOM 762 N GLU A 51 -7.739 -8.253 -7.562 1.00 0.00 N ATOM 763 CA GLU A 51 -7.716 -7.233 -8.603 1.00 0.00 C ATOM 764 C GLU A 51 -6.423 -6.425 -8.544 1.00 0.00 C ATOM 765 O GLU A 51 -5.822 -6.274 -7.481 1.00 0.00 O ATOM 766 CB GLU A 51 -8.920 -6.301 -8.462 1.00 0.00 C ATOM 767 CG GLU A 51 -8.768 -5.274 -7.351 1.00 0.00 C ATOM 768 CD GLU A 51 -10.097 -4.880 -6.735 1.00 0.00 C ATOM 769 OE1 GLU A 51 -10.816 -5.778 -6.250 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.417 -3.673 -6.739 1.00 0.00 O ATOM 0 H GLU A 51 -8.302 -8.011 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.767 -7.735 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.079 -5.781 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.812 -6.899 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.117 -5.677 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.278 -4.385 -7.748 1.00 0.00 H new ATOM 777 N GLU A 52 -6.002 -5.907 -9.694 1.00 0.00 N ATOM 778 CA GLU A 52 -4.780 -5.116 -9.773 1.00 0.00 C ATOM 779 C GLU A 52 -5.080 -3.631 -9.584 1.00 0.00 C ATOM 780 O GLU A 52 -5.845 -3.039 -10.346 1.00 0.00 O ATOM 781 CB GLU A 52 -4.087 -5.340 -11.118 1.00 0.00 C ATOM 782 CG GLU A 52 -2.920 -4.398 -11.367 1.00 0.00 C ATOM 783 CD GLU A 52 -2.692 -4.128 -12.841 1.00 0.00 C ATOM 784 OE1 GLU A 52 -3.680 -4.129 -13.605 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.525 -3.916 -13.231 1.00 0.00 O ATOM 0 H GLU A 52 -6.489 -6.021 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.116 -5.440 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.729 -6.368 -11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.817 -5.219 -11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.104 -3.455 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.015 -4.825 -10.936 1.00 0.00 H new ATOM 792 N VAL A 53 -4.473 -3.036 -8.563 1.00 0.00 N ATOM 793 CA VAL A 53 -4.674 -1.621 -8.273 1.00 0.00 C ATOM 794 C VAL A 53 -4.166 -0.749 -9.415 1.00 0.00 C ATOM 795 O VAL A 53 -3.138 -1.042 -10.025 1.00 0.00 O ATOM 796 CB VAL A 53 -3.963 -1.208 -6.971 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.426 -2.077 -5.811 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.454 -1.291 -7.140 1.00 0.00 C ATOM 0 H VAL A 53 -3.838 -3.512 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.747 -1.472 -8.155 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.225 -0.174 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.913 -1.771 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.502 -1.963 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.195 -3.121 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.967 -0.996 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.171 -2.314 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.140 -0.623 -7.942 1.00 0.00 H new ATOM 808 N VAL A 54 -4.894 0.326 -9.700 1.00 0.00 N ATOM 809 CA VAL A 54 -4.517 1.244 -10.769 1.00 0.00 C ATOM 810 C VAL A 54 -4.222 2.635 -10.220 1.00 0.00 C ATOM 811 O VAL A 54 -5.025 3.204 -9.482 1.00 0.00 O ATOM 812 CB VAL A 54 -5.623 1.348 -11.836 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.896 1.920 -11.231 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.153 2.196 -13.009 1.00 0.00 C ATOM 0 H VAL A 54 -5.748 0.583 -9.206 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.616 0.840 -11.230 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.843 0.346 -12.206 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.666 1.986 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.241 1.270 -10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.695 2.914 -10.833 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.947 2.259 -13.753 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.905 3.197 -12.658 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.270 1.740 -13.457 1.00 0.00 H new ATOM 824 N GLU A 55 -3.065 3.177 -10.587 1.00 0.00 N ATOM 825 CA GLU A 55 -2.665 4.503 -10.131 1.00 0.00 C ATOM 826 C GLU A 55 -3.863 5.445 -10.077 1.00 0.00 C ATOM 827 O GLU A 55 -4.781 5.347 -10.892 1.00 0.00 O ATOM 828 CB GLU A 55 -1.588 5.080 -11.052 1.00 0.00 C ATOM 829 CG GLU A 55 -0.175 4.683 -10.662 1.00 0.00 C ATOM 830 CD GLU A 55 0.757 4.595 -11.855 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.628 3.631 -12.639 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.615 5.490 -12.004 1.00 0.00 O ATOM 0 H GLU A 55 -2.389 2.719 -11.198 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.258 4.405 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.780 4.750 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.664 6.167 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.219 5.409 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.200 3.719 -10.153 1.00 0.00 H new ATOM 839 N SER A 56 -3.849 6.358 -9.111 1.00 0.00 N ATOM 840 CA SER A 56 -4.936 7.316 -8.948 1.00 0.00 C ATOM 841 C SER A 56 -4.564 8.393 -7.934 1.00 0.00 C ATOM 842 O SER A 56 -3.572 8.286 -7.212 1.00 0.00 O ATOM 843 CB SER A 56 -6.213 6.600 -8.503 1.00 0.00 C ATOM 844 OG SER A 56 -5.919 5.323 -7.964 1.00 0.00 O ATOM 0 H SER A 56 -3.096 6.454 -8.429 1.00 0.00 H new ATOM 0 HA SER A 56 -5.113 7.794 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.731 7.203 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.889 6.493 -9.352 1.00 0.00 H new ATOM 0 HG SER A 56 -5.759 4.689 -8.694 1.00 0.00 H new ATOM 850 N PRO A 57 -5.378 9.458 -7.876 1.00 0.00 N ATOM 851 CA PRO A 57 -5.156 10.575 -6.954 1.00 0.00 C ATOM 852 C PRO A 57 -5.402 10.185 -5.501 1.00 0.00 C ATOM 853 O PRO A 57 -5.323 11.022 -4.602 1.00 0.00 O ATOM 854 CB PRO A 57 -6.179 11.619 -7.409 1.00 0.00 C ATOM 855 CG PRO A 57 -7.258 10.830 -8.067 1.00 0.00 C ATOM 856 CD PRO A 57 -6.578 9.652 -8.707 1.00 0.00 C ATOM 0 HA PRO A 57 -4.125 10.928 -6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.565 12.190 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.734 12.334 -8.100 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.002 10.504 -7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.782 11.430 -8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.217 8.769 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.319 9.854 -9.746 1.00 0.00 H new ATOM 864 N ALA A 58 -5.702 8.910 -5.278 1.00 0.00 N ATOM 865 CA ALA A 58 -5.958 8.409 -3.933 1.00 0.00 C ATOM 866 C ALA A 58 -5.023 7.254 -3.590 1.00 0.00 C ATOM 867 O ALA A 58 -5.048 6.732 -2.475 1.00 0.00 O ATOM 868 CB ALA A 58 -7.410 7.974 -3.799 1.00 0.00 C ATOM 0 H ALA A 58 -5.774 8.205 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.767 9.218 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.587 7.602 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.064 8.824 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.621 7.183 -4.519 1.00 0.00 H new ATOM 874 N LEU A 59 -4.201 6.858 -4.556 1.00 0.00 N ATOM 875 CA LEU A 59 -3.258 5.763 -4.356 1.00 0.00 C ATOM 876 C LEU A 59 -1.961 6.016 -5.118 1.00 0.00 C ATOM 877 O LEU A 59 -1.910 5.877 -6.341 1.00 0.00 O ATOM 878 CB LEU A 59 -3.879 4.440 -4.809 1.00 0.00 C ATOM 879 CG LEU A 59 -2.949 3.227 -4.807 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.729 1.957 -4.503 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.229 3.105 -6.142 1.00 0.00 C ATOM 0 H LEU A 59 -4.168 7.278 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.028 5.704 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.730 4.221 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.270 4.572 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.203 3.367 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.051 1.104 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.198 2.044 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.498 1.812 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.571 2.236 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.961 2.988 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.638 4.003 -6.320 1.00 0.00 H new ATOM 893 N LEU A 60 -0.915 6.385 -4.388 1.00 0.00 N ATOM 894 CA LEU A 60 0.385 6.655 -4.994 1.00 0.00 C ATOM 895 C LEU A 60 1.305 5.444 -4.871 1.00 0.00 C ATOM 896 O LEU A 60 1.422 4.846 -3.801 1.00 0.00 O ATOM 897 CB LEU A 60 1.034 7.872 -4.334 1.00 0.00 C ATOM 898 CG LEU A 60 0.216 9.164 -4.356 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.940 10.268 -3.602 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.069 9.591 -5.788 1.00 0.00 C ATOM 0 H LEU A 60 -0.941 6.504 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 60 0.229 6.864 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.254 7.623 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.988 8.061 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.735 8.977 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.342 11.179 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.091 9.963 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.907 10.454 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.652 10.512 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.872 9.760 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.632 8.808 -6.296 1.00 0.00 H new ATOM 912 N LEU A 61 1.957 5.090 -5.973 1.00 0.00 N ATOM 913 CA LEU A 61 2.870 3.952 -5.989 1.00 0.00 C ATOM 914 C LEU A 61 4.322 4.418 -5.984 1.00 0.00 C ATOM 915 O LEU A 61 4.805 4.984 -6.965 1.00 0.00 O ATOM 916 CB LEU A 61 2.607 3.079 -7.217 1.00 0.00 C ATOM 917 CG LEU A 61 1.216 2.449 -7.307 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.130 1.515 -8.504 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.883 1.705 -6.022 1.00 0.00 C ATOM 0 H LEU A 61 1.871 5.574 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 61 2.694 3.364 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.769 3.684 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.348 2.280 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 61 0.485 3.246 -7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.133 1.076 -8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.324 2.076 -9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.871 0.722 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.110 1.263 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.618 0.917 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.902 2.401 -5.183 1.00 0.00 H new ATOM 931 N GLN A 62 5.013 4.175 -4.875 1.00 0.00 N ATOM 932 CA GLN A 62 6.410 4.569 -4.744 1.00 0.00 C ATOM 933 C GLN A 62 7.338 3.407 -5.085 1.00 0.00 C ATOM 934 O GLN A 62 7.019 2.247 -4.824 1.00 0.00 O ATOM 935 CB GLN A 62 6.692 5.062 -3.324 1.00 0.00 C ATOM 936 CG GLN A 62 5.944 6.335 -2.962 1.00 0.00 C ATOM 937 CD GLN A 62 5.877 7.320 -4.113 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.898 7.668 -4.707 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.672 7.775 -4.433 1.00 0.00 N ATOM 0 H GLN A 62 4.628 3.707 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 62 6.600 5.380 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.422 4.278 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.762 5.236 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.932 6.080 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.432 6.809 -2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.853 7.459 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.565 8.440 -5.199 1.00 0.00 H new ATOM 948 N LYS A 63 8.488 3.726 -5.669 1.00 0.00 N ATOM 949 CA LYS A 63 9.463 2.710 -6.045 1.00 0.00 C ATOM 950 C LYS A 63 10.881 3.169 -5.718 1.00 0.00 C ATOM 951 O LYS A 63 11.398 4.101 -6.334 1.00 0.00 O ATOM 952 CB LYS A 63 9.350 2.393 -7.538 1.00 0.00 C ATOM 953 CG LYS A 63 7.930 2.101 -7.992 1.00 0.00 C ATOM 954 CD LYS A 63 7.760 2.343 -9.482 1.00 0.00 C ATOM 955 CE LYS A 63 6.590 1.551 -10.046 1.00 0.00 C ATOM 956 NZ LYS A 63 5.281 2.169 -9.694 1.00 0.00 N ATOM 0 H LYS A 63 8.768 4.681 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 63 9.250 1.808 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.740 3.235 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.980 1.533 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.678 1.066 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.233 2.731 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.602 3.406 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.675 2.063 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.682 1.489 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.624 0.531 -9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.509 1.600 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.181 2.205 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.238 3.134 -10.080 1.00 0.00 H new ATOM 970 N GLU A 64 11.503 2.507 -4.748 1.00 0.00 N ATOM 971 CA GLU A 64 12.861 2.848 -4.341 1.00 0.00 C ATOM 972 C GLU A 64 13.887 2.119 -5.204 1.00 0.00 C ATOM 973 O GLU A 64 13.532 1.437 -6.166 1.00 0.00 O ATOM 974 CB GLU A 64 13.079 2.500 -2.867 1.00 0.00 C ATOM 975 CG GLU A 64 14.028 3.446 -2.152 1.00 0.00 C ATOM 976 CD GLU A 64 13.692 3.610 -0.682 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.760 4.379 -0.368 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.361 2.967 0.154 1.00 0.00 O ATOM 0 H GLU A 64 11.089 1.732 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 64 12.994 3.921 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.117 2.508 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.470 1.485 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.048 3.073 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.998 4.421 -2.639 1.00 0.00 H new ATOM 985 N ASP A 65 15.160 2.269 -4.854 1.00 0.00 N ATOM 986 CA ASP A 65 16.238 1.624 -5.595 1.00 0.00 C ATOM 987 C ASP A 65 15.972 0.131 -5.753 1.00 0.00 C ATOM 988 O ASP A 65 15.683 -0.348 -6.850 1.00 0.00 O ATOM 989 CB ASP A 65 17.575 1.845 -4.886 1.00 0.00 C ATOM 990 CG ASP A 65 18.249 3.135 -5.309 1.00 0.00 C ATOM 991 OD1 ASP A 65 17.718 4.217 -4.982 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.308 3.063 -5.967 1.00 0.00 O ATOM 0 H ASP A 65 15.471 2.832 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 65 16.283 2.073 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.413 1.860 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.238 1.006 -5.097 1.00 0.00 H new ATOM 997 N THR A 66 16.071 -0.603 -4.649 1.00 0.00 N ATOM 998 CA THR A 66 15.844 -2.043 -4.665 1.00 0.00 C ATOM 999 C THR A 66 14.607 -2.413 -3.854 1.00 0.00 C ATOM 1000 O THR A 66 14.268 -3.589 -3.722 1.00 0.00 O ATOM 1001 CB THR A 66 17.058 -2.810 -4.107 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.615 -2.102 -2.993 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.121 -2.995 -5.179 1.00 0.00 C ATOM 0 H THR A 66 16.307 -0.224 -3.732 1.00 0.00 H new ATOM 0 HA THR A 66 15.692 -2.327 -5.706 1.00 0.00 H new ATOM 0 HB THR A 66 16.720 -3.793 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.385 -2.597 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.968 -3.539 -4.761 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.703 -3.559 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.455 -2.019 -5.532 1.00 0.00 H new ATOM 1011 N VAL A 67 13.935 -1.402 -3.313 1.00 0.00 N ATOM 1012 CA VAL A 67 12.734 -1.621 -2.517 1.00 0.00 C ATOM 1013 C VAL A 67 11.573 -0.775 -3.028 1.00 0.00 C ATOM 1014 O VAL A 67 11.770 0.340 -3.511 1.00 0.00 O ATOM 1015 CB VAL A 67 12.978 -1.294 -1.031 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.736 0.017 -0.891 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.659 -1.241 -0.275 1.00 0.00 C ATOM 0 H VAL A 67 14.202 -0.423 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 67 12.480 -2.677 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 67 13.588 -2.086 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.899 0.232 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.698 -0.063 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.155 0.823 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.849 -1.009 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.022 -0.469 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.159 -2.207 -0.348 1.00 0.00 H new ATOM 1027 N ARG A 68 10.363 -1.313 -2.919 1.00 0.00 N ATOM 1028 CA ARG A 68 9.170 -0.608 -3.371 1.00 0.00 C ATOM 1029 C ARG A 68 8.294 -0.207 -2.187 1.00 0.00 C ATOM 1030 O ARG A 68 8.355 -0.820 -1.122 1.00 0.00 O ATOM 1031 CB ARG A 68 8.370 -1.483 -4.337 1.00 0.00 C ATOM 1032 CG ARG A 68 9.171 -1.951 -5.541 1.00 0.00 C ATOM 1033 CD ARG A 68 9.061 -0.972 -6.699 1.00 0.00 C ATOM 1034 NE ARG A 68 9.797 -1.430 -7.874 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.122 -1.399 -7.970 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.851 -0.935 -6.965 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.719 -1.833 -9.073 1.00 0.00 N ATOM 0 H ARG A 68 10.183 -2.235 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 68 9.488 0.297 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.996 -2.354 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.501 -0.925 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.218 -2.067 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.815 -2.931 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.011 -0.835 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.442 0.001 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 68 9.265 -1.794 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.395 -0.601 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.868 -0.912 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.161 -2.191 -9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.736 -1.809 -9.146 1.00 0.00 H new ATOM 1051 N ARG A 69 7.481 0.827 -2.382 1.00 0.00 N ATOM 1052 CA ARG A 69 6.595 1.311 -1.331 1.00 0.00 C ATOM 1053 C ARG A 69 5.300 1.861 -1.922 1.00 0.00 C ATOM 1054 O ARG A 69 5.283 2.364 -3.046 1.00 0.00 O ATOM 1055 CB ARG A 69 7.292 2.394 -0.505 1.00 0.00 C ATOM 1056 CG ARG A 69 8.436 1.869 0.347 1.00 0.00 C ATOM 1057 CD ARG A 69 8.705 2.775 1.537 1.00 0.00 C ATOM 1058 NE ARG A 69 9.520 3.931 1.171 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.268 4.606 2.037 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.305 4.243 3.311 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.982 5.647 1.627 1.00 0.00 N ATOM 0 H ARG A 69 7.418 1.345 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 69 6.350 0.471 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.674 3.162 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.558 2.873 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.198 0.865 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.337 1.788 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.758 3.117 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.211 2.207 2.318 1.00 0.00 H new ATOM 0 HE ARG A 69 9.514 4.236 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.758 3.443 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.880 4.764 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.956 5.929 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.556 6.165 2.292 1.00 0.00 H new ATOM 1075 N LEU A 70 4.218 1.762 -1.158 1.00 0.00 N ATOM 1076 CA LEU A 70 2.918 2.249 -1.606 1.00 0.00 C ATOM 1077 C LEU A 70 2.358 3.280 -0.632 1.00 0.00 C ATOM 1078 O LEU A 70 1.894 2.935 0.455 1.00 0.00 O ATOM 1079 CB LEU A 70 1.938 1.084 -1.753 1.00 0.00 C ATOM 1080 CG LEU A 70 0.456 1.430 -1.598 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.030 2.436 -2.656 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.396 0.172 -1.681 1.00 0.00 C ATOM 0 H LEU A 70 4.215 1.349 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 70 3.051 2.728 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.085 0.634 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.193 0.325 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 70 0.308 1.881 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.027 2.670 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.619 3.347 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.192 2.012 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.447 0.437 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.244 -0.307 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.108 -0.516 -0.886 1.00 0.00 H new ATOM 1094 N VAL A 71 2.403 4.548 -1.029 1.00 0.00 N ATOM 1095 CA VAL A 71 1.897 5.630 -0.193 1.00 0.00 C ATOM 1096 C VAL A 71 0.493 6.044 -0.620 1.00 0.00 C ATOM 1097 O VAL A 71 0.182 6.088 -1.811 1.00 0.00 O ATOM 1098 CB VAL A 71 2.822 6.860 -0.246 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.184 8.039 0.473 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.180 6.530 0.354 1.00 0.00 C ATOM 0 H VAL A 71 2.785 4.851 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 71 1.866 5.252 0.829 1.00 0.00 H new ATOM 0 HB VAL A 71 2.969 7.139 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.852 8.899 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.237 8.288 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.005 7.776 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.821 7.410 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.054 6.226 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.639 5.717 -0.209 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.351 6.349 0.359 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.724 6.761 0.085 1.00 0.00 C ATOM 1112 C LEU A 72 -2.022 8.116 0.719 1.00 0.00 C ATOM 1113 O LEU A 72 -2.179 8.239 1.934 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.706 5.712 0.608 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.780 4.407 -0.185 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.569 3.536 0.107 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.067 3.660 0.136 1.00 0.00 C ATOM 0 H LEU A 72 -0.109 6.319 1.350 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.842 6.852 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.438 5.474 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.701 6.156 0.633 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.780 4.649 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.639 2.612 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.661 4.069 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.537 3.302 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.103 2.734 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.098 3.429 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.923 4.282 -0.125 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.105 9.158 -0.121 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.388 10.522 0.335 1.00 0.00 C ATOM 1131 C PRO A 73 -3.821 10.682 0.830 1.00 0.00 C ATOM 1132 O PRO A 73 -4.158 11.676 1.473 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.157 11.370 -0.918 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.387 10.436 -2.056 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.928 9.085 -1.581 1.00 0.00 C ATOM 0 HA PRO A 73 -1.762 10.807 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.843 12.216 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.147 11.778 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.440 10.414 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.829 10.750 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.522 8.282 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.889 8.896 -1.851 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.660 9.698 0.526 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.057 9.729 0.942 1.00 0.00 C ATOM 1145 C ALA A 74 -6.678 8.337 0.886 1.00 0.00 C ATOM 1146 O ALA A 74 -6.936 7.805 -0.193 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.846 10.696 0.072 1.00 0.00 C ATOM 0 H ALA A 74 -4.397 8.869 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.094 10.074 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.887 10.709 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.425 11.697 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.792 10.376 -0.969 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.914 7.751 2.056 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.504 6.421 2.140 1.00 0.00 C ATOM 1155 C VAL A 75 -8.966 6.495 2.566 1.00 0.00 C ATOM 1156 O VAL A 75 -9.420 7.514 3.086 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.736 5.527 3.131 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.242 5.800 3.049 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.248 5.741 4.548 1.00 0.00 C ATOM 0 H VAL A 75 -6.705 8.177 2.959 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.440 5.983 1.144 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.906 4.485 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.716 5.159 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.889 5.592 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.049 6.845 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.694 5.101 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.109 6.784 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.308 5.491 4.594 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.698 5.408 2.343 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.109 5.350 2.705 1.00 0.00 C ATOM 1171 C GLN A 76 -11.445 4.022 3.376 1.00 0.00 C ATOM 1172 O GLN A 76 -10.871 2.984 3.044 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.983 5.543 1.465 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.709 6.842 0.724 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.123 8.066 1.518 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.349 7.989 2.726 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.226 9.204 0.842 1.00 0.00 N ATOM 0 H GLN A 76 -9.337 4.556 1.914 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.310 6.155 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.824 4.706 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.031 5.518 1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.646 6.906 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.242 6.833 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.029 9.222 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.502 10.060 1.323 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.377 4.062 4.321 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.790 2.862 5.040 1.00 0.00 C ATOM 1188 C LEU A 77 -12.974 1.689 4.082 1.00 0.00 C ATOM 1189 O LEU A 77 -12.641 0.551 4.409 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.091 3.121 5.801 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.106 4.355 6.704 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.500 4.590 7.265 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.095 4.202 7.832 1.00 0.00 C ATOM 0 H LEU A 77 -12.861 4.913 4.608 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.004 2.607 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.900 3.216 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.312 2.246 6.412 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.826 5.222 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.491 5.472 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.201 4.744 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.809 3.722 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.119 5.089 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.345 3.324 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.096 4.083 7.412 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.503 1.977 2.897 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.729 0.946 1.891 1.00 0.00 C ATOM 1207 C GLU A 78 -12.411 0.306 1.462 1.00 0.00 C ATOM 1208 O GLU A 78 -12.338 -0.904 1.246 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.441 1.537 0.673 1.00 0.00 C ATOM 1210 CG GLU A 78 -14.140 3.009 0.447 1.00 0.00 C ATOM 1211 CD GLU A 78 -14.540 3.481 -0.938 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -14.107 2.854 -1.927 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -15.287 4.478 -1.031 1.00 0.00 O ATOM 0 H GLU A 78 -13.783 2.915 2.610 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.361 0.176 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.151 0.975 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.517 1.409 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.666 3.602 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.074 3.185 0.593 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.374 1.127 1.341 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.059 0.643 0.939 1.00 0.00 C ATOM 1222 C ASP A 79 -9.566 -0.444 1.889 1.00 0.00 C ATOM 1223 O ASP A 79 -8.817 -1.336 1.493 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.056 1.798 0.901 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.267 2.708 -0.292 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.232 3.501 -0.270 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.468 2.628 -1.249 1.00 0.00 O ATOM 0 H ASP A 79 -11.419 2.131 1.516 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.147 0.215 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.142 2.380 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.043 1.395 0.873 1.00 0.00 H new ATOM 1232 N SER A 80 -9.990 -0.361 3.146 1.00 0.00 N ATOM 1233 CA SER A 80 -9.588 -1.335 4.155 1.00 0.00 C ATOM 1234 C SER A 80 -9.906 -2.755 3.696 1.00 0.00 C ATOM 1235 O SER A 80 -11.069 -3.122 3.533 1.00 0.00 O ATOM 1236 CB SER A 80 -10.292 -1.046 5.482 1.00 0.00 C ATOM 1237 OG SER A 80 -11.636 -1.496 5.455 1.00 0.00 O ATOM 0 H SER A 80 -10.612 0.371 3.490 1.00 0.00 H new ATOM 0 HA SER A 80 -8.511 -1.250 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.757 -1.537 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.268 0.025 5.685 1.00 0.00 H new ATOM 0 HG SER A 80 -12.158 -0.932 4.847 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.861 -3.551 3.488 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.048 -4.921 3.050 1.00 0.00 C ATOM 1245 C GLY A 81 -7.783 -5.747 3.173 1.00 0.00 C ATOM 1246 O GLY A 81 -7.198 -5.839 4.252 1.00 0.00 O ATOM 0 H GLY A 81 -7.889 -3.271 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.839 -5.383 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.381 -4.925 2.012 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.362 -6.352 2.067 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.159 -7.177 2.058 1.00 0.00 C ATOM 1252 C GLU A 82 -5.277 -6.839 0.860 1.00 0.00 C ATOM 1253 O GLU A 82 -5.570 -7.229 -0.270 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.532 -8.660 2.029 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.499 -9.560 2.686 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.722 -11.028 2.377 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.395 -11.452 1.248 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.225 -11.752 3.261 1.00 0.00 O ATOM 0 H GLU A 82 -7.836 -6.287 1.166 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.599 -6.969 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.490 -8.795 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.667 -8.972 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.504 -9.269 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.527 -9.412 3.765 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.195 -6.111 1.116 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.271 -5.718 0.059 1.00 0.00 C ATOM 1267 C TYR A 83 -2.236 -6.810 -0.194 1.00 0.00 C ATOM 1268 O TYR A 83 -1.358 -7.054 0.634 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.569 -4.410 0.427 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.414 -3.180 0.185 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.339 -2.751 1.129 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.289 -2.446 -0.989 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.114 -1.629 0.912 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -4.058 -1.322 -1.213 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.969 -0.917 -0.260 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.739 0.202 -0.481 1.00 0.00 O ATOM 0 H TYR A 83 -3.937 -5.781 2.046 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.846 -5.569 -0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.284 -4.444 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.648 -4.327 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.454 -3.305 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.578 -2.761 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.830 -1.311 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.947 -0.762 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.513 0.588 -1.353 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.346 -7.465 -1.345 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.421 -8.532 -1.710 1.00 0.00 C ATOM 1288 C LEU A 84 -0.477 -8.078 -2.819 1.00 0.00 C ATOM 1289 O LEU A 84 -0.904 -7.824 -3.946 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.193 -9.773 -2.158 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.459 -10.824 -1.080 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.201 -11.632 -0.801 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.966 -10.165 0.194 1.00 0.00 C ATOM 0 H LEU A 84 -3.067 -7.276 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.827 -8.780 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.151 -9.452 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.641 -10.246 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.229 -11.504 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.409 -12.375 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.882 -12.135 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.409 -10.966 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.150 -10.928 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.219 -9.462 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.893 -9.632 -0.016 1.00 0.00 H new ATOM 1305 N CYS A 85 0.807 -7.980 -2.492 1.00 0.00 N ATOM 1306 CA CYS A 85 1.812 -7.558 -3.462 1.00 0.00 C ATOM 1307 C CYS A 85 2.439 -8.763 -4.155 1.00 0.00 C ATOM 1308 O CYS A 85 3.225 -9.496 -3.556 1.00 0.00 O ATOM 1309 CB CYS A 85 2.898 -6.729 -2.774 1.00 0.00 C ATOM 1310 SG CYS A 85 4.066 -5.951 -3.913 1.00 0.00 S ATOM 0 H CYS A 85 1.177 -8.187 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 85 1.318 -6.944 -4.216 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.422 -5.954 -2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.450 -7.371 -2.087 1.00 0.00 H new ATOM 0 HG CYS A 85 3.716 -4.716 -4.117 1.00 0.00 H new ATOM 1316 N GLU A 86 2.083 -8.963 -5.420 1.00 0.00 N ATOM 1317 CA GLU A 86 2.609 -10.081 -6.194 1.00 0.00 C ATOM 1318 C GLU A 86 3.694 -9.613 -7.160 1.00 0.00 C ATOM 1319 O GLU A 86 3.539 -8.596 -7.836 1.00 0.00 O ATOM 1320 CB GLU A 86 1.483 -10.769 -6.968 1.00 0.00 C ATOM 1321 CG GLU A 86 0.211 -10.954 -6.158 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.593 -12.160 -6.602 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -0.014 -13.263 -6.683 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.803 -12.000 -6.868 1.00 0.00 O ATOM 0 H GLU A 86 1.433 -8.365 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 86 3.051 -10.795 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.255 -10.183 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.831 -11.744 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.468 -11.061 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.405 -10.059 -6.246 1.00 0.00 H new ATOM 1331 N ILE A 87 4.790 -10.361 -7.217 1.00 0.00 N ATOM 1332 CA ILE A 87 5.899 -10.024 -8.100 1.00 0.00 C ATOM 1333 C ILE A 87 5.941 -10.950 -9.311 1.00 0.00 C ATOM 1334 O ILE A 87 5.531 -10.572 -10.408 1.00 0.00 O ATOM 1335 CB ILE A 87 7.249 -10.101 -7.362 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.373 -10.439 -8.344 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.185 -11.133 -6.246 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.698 -9.803 -7.989 1.00 0.00 C ATOM 0 H ILE A 87 4.934 -11.205 -6.662 1.00 0.00 H new ATOM 0 HA ILE A 87 5.734 -9.000 -8.435 1.00 0.00 H new ATOM 0 HB ILE A 87 7.460 -9.128 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.498 -11.521 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.081 -10.116 -9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.146 -11.176 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.408 -10.853 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.955 -12.111 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.447 -10.086 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.590 -8.718 -7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.013 -10.145 -7.003 1.00 0.00 H new ATOM 1350 N ASP A 88 6.436 -12.165 -9.102 1.00 0.00 N ATOM 1351 CA ASP A 88 6.528 -13.147 -10.176 1.00 0.00 C ATOM 1352 C ASP A 88 5.646 -14.357 -9.883 1.00 0.00 C ATOM 1353 O ASP A 88 4.641 -14.582 -10.556 1.00 0.00 O ATOM 1354 CB ASP A 88 7.979 -13.592 -10.366 1.00 0.00 C ATOM 1355 CG ASP A 88 8.292 -13.947 -11.806 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.014 -15.097 -12.208 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.814 -13.076 -12.531 1.00 0.00 O ATOM 0 H ASP A 88 6.779 -12.493 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 88 6.177 -12.678 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.646 -12.795 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.177 -14.455 -9.731 1.00 0.00 H new ATOM 1362 N ASP A 89 6.031 -15.132 -8.875 1.00 0.00 N ATOM 1363 CA ASP A 89 5.275 -16.319 -8.492 1.00 0.00 C ATOM 1364 C ASP A 89 4.921 -16.283 -7.008 1.00 0.00 C ATOM 1365 O ASP A 89 4.281 -17.198 -6.492 1.00 0.00 O ATOM 1366 CB ASP A 89 6.076 -17.584 -8.807 1.00 0.00 C ATOM 1367 CG ASP A 89 5.252 -18.846 -8.647 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.355 -19.080 -9.485 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.505 -19.601 -7.685 1.00 0.00 O ATOM 0 H ASP A 89 6.862 -14.960 -8.309 1.00 0.00 H new ATOM 0 HA ASP A 89 4.350 -16.331 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.453 -17.527 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.944 -17.634 -8.149 1.00 0.00 H new ATOM 1374 N GLU A 90 5.344 -15.221 -6.330 1.00 0.00 N ATOM 1375 CA GLU A 90 5.073 -15.068 -4.905 1.00 0.00 C ATOM 1376 C GLU A 90 4.224 -13.827 -4.643 1.00 0.00 C ATOM 1377 O GLU A 90 4.025 -12.999 -5.532 1.00 0.00 O ATOM 1378 CB GLU A 90 6.384 -14.978 -4.121 1.00 0.00 C ATOM 1379 CG GLU A 90 7.336 -16.130 -4.393 1.00 0.00 C ATOM 1380 CD GLU A 90 8.668 -15.965 -3.688 1.00 0.00 C ATOM 1381 OE1 GLU A 90 9.081 -14.807 -3.464 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.298 -16.992 -3.360 1.00 0.00 O ATOM 0 H GLU A 90 5.875 -14.455 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 90 4.518 -15.944 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.882 -14.040 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.159 -14.948 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.872 -17.063 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.505 -16.211 -5.467 1.00 0.00 H new ATOM 1389 N SER A 91 3.726 -13.707 -3.417 1.00 0.00 N ATOM 1390 CA SER A 91 2.895 -12.570 -3.038 1.00 0.00 C ATOM 1391 C SER A 91 3.106 -12.208 -1.571 1.00 0.00 C ATOM 1392 O SER A 91 3.324 -13.079 -0.730 1.00 0.00 O ATOM 1393 CB SER A 91 1.419 -12.884 -3.290 1.00 0.00 C ATOM 1394 OG SER A 91 1.060 -14.133 -2.726 1.00 0.00 O ATOM 0 H SER A 91 3.883 -14.383 -2.669 1.00 0.00 H new ATOM 0 HA SER A 91 3.188 -11.717 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.798 -12.097 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.225 -12.896 -4.362 1.00 0.00 H new ATOM 0 HG SER A 91 0.112 -14.310 -2.899 1.00 0.00 H new ATOM 1400 N ALA A 92 3.041 -10.914 -1.272 1.00 0.00 N ATOM 1401 CA ALA A 92 3.223 -10.436 0.093 1.00 0.00 C ATOM 1402 C ALA A 92 1.895 -9.998 0.703 1.00 0.00 C ATOM 1403 O ALA A 92 1.101 -9.313 0.058 1.00 0.00 O ATOM 1404 CB ALA A 92 4.222 -9.289 0.121 1.00 0.00 C ATOM 0 H ALA A 92 2.864 -10.179 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 92 3.614 -11.259 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.348 -8.942 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.181 -9.632 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.853 -8.470 -0.497 1.00 0.00 H new ATOM 1410 N SER A 93 1.661 -10.399 1.948 1.00 0.00 N ATOM 1411 CA SER A 93 0.427 -10.052 2.643 1.00 0.00 C ATOM 1412 C SER A 93 0.571 -8.719 3.372 1.00 0.00 C ATOM 1413 O SER A 93 1.475 -8.539 4.188 1.00 0.00 O ATOM 1414 CB SER A 93 0.050 -11.152 3.637 1.00 0.00 C ATOM 1415 OG SER A 93 -0.969 -10.715 4.519 1.00 0.00 O ATOM 0 H SER A 93 2.309 -10.964 2.496 1.00 0.00 H new ATOM 0 HA SER A 93 -0.365 -9.957 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.288 -12.036 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.930 -11.446 4.210 1.00 0.00 H new ATOM 0 HG SER A 93 -1.413 -11.493 4.917 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.328 -7.788 3.072 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.303 -6.471 3.697 1.00 0.00 C ATOM 1423 C PHE A 94 -1.702 -6.051 4.139 1.00 0.00 C ATOM 1424 O PHE A 94 -2.508 -5.588 3.332 1.00 0.00 O ATOM 1425 CB PHE A 94 0.270 -5.434 2.728 1.00 0.00 C ATOM 1426 CG PHE A 94 1.765 -5.500 2.594 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.586 -4.955 3.568 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.349 -6.108 1.495 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.961 -5.014 3.449 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.724 -6.171 1.370 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.531 -5.622 2.348 1.00 0.00 C ATOM 0 H PHE A 94 -1.083 -7.921 2.400 1.00 0.00 H new ATOM 0 HA PHE A 94 0.336 -6.527 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.181 -5.577 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.013 -4.437 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.145 -4.478 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.723 -6.538 0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.589 -4.585 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.167 -6.649 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.606 -5.668 2.251 1.00 0.00 H new ATOM 1441 N THR A 95 -1.983 -6.217 5.428 1.00 0.00 N ATOM 1442 CA THR A 95 -3.284 -5.857 5.978 1.00 0.00 C ATOM 1443 C THR A 95 -3.336 -4.379 6.345 1.00 0.00 C ATOM 1444 O THR A 95 -2.495 -3.884 7.095 1.00 0.00 O ATOM 1445 CB THR A 95 -3.616 -6.696 7.227 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.672 -8.085 6.883 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.944 -6.264 7.831 1.00 0.00 C ATOM 0 H THR A 95 -1.327 -6.598 6.110 1.00 0.00 H new ATOM 0 HA THR A 95 -4.023 -6.062 5.203 1.00 0.00 H new ATOM 0 HB THR A 95 -2.830 -6.536 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.882 -8.612 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.158 -6.870 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.889 -5.214 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.738 -6.398 7.097 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.331 -3.676 5.811 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.494 -2.254 6.083 1.00 0.00 C ATOM 1457 C VAL A 96 -5.915 -1.941 6.538 1.00 0.00 C ATOM 1458 O VAL A 96 -6.802 -1.694 5.720 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.166 -1.403 4.842 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.418 0.071 5.122 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.727 -1.632 4.405 1.00 0.00 C ATOM 0 H VAL A 96 -5.036 -4.069 5.187 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.796 -2.003 6.881 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.823 -1.711 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.181 0.656 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.466 0.218 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.788 0.397 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.512 -1.023 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.052 -1.353 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.584 -2.685 4.160 1.00 0.00 H new ATOM 1471 N THR A 97 -6.126 -1.952 7.851 1.00 0.00 N ATOM 1472 CA THR A 97 -7.440 -1.670 8.416 1.00 0.00 C ATOM 1473 C THR A 97 -7.628 -0.176 8.651 1.00 0.00 C ATOM 1474 O THR A 97 -6.806 0.469 9.302 1.00 0.00 O ATOM 1475 CB THR A 97 -7.651 -2.418 9.746 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.447 -3.822 9.556 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.051 -2.173 10.288 1.00 0.00 C ATOM 0 H THR A 97 -5.404 -2.153 8.543 1.00 0.00 H new ATOM 0 HA THR A 97 -8.177 -2.016 7.692 1.00 0.00 H new ATOM 0 HB THR A 97 -6.927 -2.041 10.468 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.581 -4.290 10.406 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.177 -2.711 11.228 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.193 -1.106 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.788 -2.526 9.566 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.717 0.370 8.117 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.014 1.789 8.271 1.00 0.00 C ATOM 1487 C VAL A 98 -10.193 2.004 9.213 1.00 0.00 C ATOM 1488 O VAL A 98 -11.205 1.308 9.130 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.329 2.446 6.914 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.654 3.921 7.097 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.166 2.263 5.951 1.00 0.00 C ATOM 0 H VAL A 98 -9.407 -0.149 7.574 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.124 2.255 8.695 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.204 1.956 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.874 4.368 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.521 4.024 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.800 4.429 7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.406 2.733 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.272 2.725 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.986 1.199 5.796 1.00 0.00 H new ATOM 1501 N THR A 99 -10.056 2.975 10.111 1.00 0.00 N ATOM 1502 CA THR A 99 -11.109 3.283 11.070 1.00 0.00 C ATOM 1503 C THR A 99 -11.463 4.766 11.042 1.00 0.00 C ATOM 1504 O THR A 99 -10.783 5.562 10.395 1.00 0.00 O ATOM 1505 CB THR A 99 -10.696 2.893 12.502 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.410 3.444 12.808 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.657 1.381 12.661 1.00 0.00 C ATOM 0 H THR A 99 -9.226 3.562 10.194 1.00 0.00 H new ATOM 0 HA THR A 99 -11.982 2.699 10.779 1.00 0.00 H new ATOM 0 HB THR A 99 -11.437 3.296 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.155 3.193 13.720 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.363 1.130 13.680 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.645 0.968 12.456 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.935 0.960 11.961 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.529 5.129 11.747 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.972 6.517 11.801 1.00 0.00 C ATOM 1517 C GLU A 100 -12.050 7.348 12.689 1.00 0.00 C ATOM 1518 O GLU A 100 -11.743 6.982 13.824 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.408 6.598 12.322 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.401 5.796 11.497 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.663 5.461 12.267 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.548 4.966 13.408 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.766 5.694 11.730 1.00 0.00 O ATOM 0 H GLU A 100 -13.102 4.482 12.289 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.937 6.922 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.433 6.242 13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.721 7.642 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.665 6.361 10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.928 4.873 11.163 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.596 8.495 12.162 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.703 9.402 12.888 1.00 0.00 C ATOM 1532 C PRO A 101 -11.404 10.099 14.049 1.00 0.00 C ATOM 1533 O PRO A 101 -12.627 10.053 14.185 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.289 10.421 11.823 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.401 10.405 10.832 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.921 8.994 10.815 1.00 0.00 C ATOM 0 HA PRO A 101 -9.864 8.873 13.339 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.157 11.413 12.254 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.341 10.147 11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.186 11.107 11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.048 10.703 9.845 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.993 8.963 10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.441 8.398 10.039 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.614 10.763 14.906 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.138 11.484 16.069 1.00 0.00 C ATOM 1546 C PRO A 102 -11.922 12.731 15.674 1.00 0.00 C ATOM 1547 O PRO A 102 -11.890 13.156 14.519 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.876 11.870 16.845 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.798 11.915 15.818 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.148 10.861 14.804 1.00 0.00 C ATOM 0 HA PRO A 102 -11.839 10.877 16.642 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.994 12.835 17.337 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.651 11.141 17.623 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.742 12.900 15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.824 11.718 16.266 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.833 11.148 13.801 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.665 9.910 15.030 1.00 0.00 H new