USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 94:sc= 1.3 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 75:sc= 0.553 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.395 K(o=-0.39,f=-2.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 90:sc= 0.243 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -143:sc= -0.019 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -18.211 -10.480 -22.197 1.00 0.00 N ATOM 96 CA GLY A 7 -18.140 -9.039 -22.025 1.00 0.00 C ATOM 97 C GLY A 7 -19.170 -8.557 -21.002 1.00 0.00 C ATOM 98 O GLY A 7 -18.818 -7.901 -20.024 1.00 0.00 O ATOM 0 HA2 GLY A 7 -17.139 -8.757 -21.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.314 -8.546 -22.981 1.00 0.00 H new ATOM 102 N TYR A 8 -20.423 -8.902 -21.263 1.00 0.00 N ATOM 103 CA TYR A 8 -21.506 -8.513 -20.377 1.00 0.00 C ATOM 104 C TYR A 8 -21.166 -8.834 -18.921 1.00 0.00 C ATOM 105 O TYR A 8 -21.299 -7.980 -18.046 1.00 0.00 O ATOM 106 CB TYR A 8 -22.717 -9.346 -20.801 1.00 0.00 C ATOM 107 CG TYR A 8 -24.060 -8.645 -20.588 1.00 0.00 C ATOM 108 CD1 TYR A 8 -24.605 -8.566 -19.322 1.00 0.00 C ATOM 109 CD2 TYR A 8 -24.728 -8.092 -21.662 1.00 0.00 C ATOM 110 CE1 TYR A 8 -25.869 -7.906 -19.122 1.00 0.00 C ATOM 111 CE2 TYR A 8 -25.992 -7.432 -21.461 1.00 0.00 C ATOM 112 CZ TYR A 8 -26.500 -7.372 -20.201 1.00 0.00 C ATOM 113 OH TYR A 8 -27.694 -6.749 -20.012 1.00 0.00 O ATOM 0 H TYR A 8 -20.712 -9.447 -22.076 1.00 0.00 H new ATOM 0 HA TYR A 8 -21.691 -7.441 -20.445 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -22.617 -9.604 -21.855 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -22.715 -10.282 -20.242 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.083 -8.999 -18.482 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -24.303 -8.154 -22.653 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.306 -7.837 -18.137 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.525 -6.994 -22.292 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.028 -6.415 -20.871 1.00 0.00 H new ATOM 123 N ALA A 9 -20.733 -10.068 -18.705 1.00 0.00 N ATOM 124 CA ALA A 9 -20.373 -10.512 -17.370 1.00 0.00 C ATOM 125 C ALA A 9 -19.286 -9.594 -16.808 1.00 0.00 C ATOM 126 O ALA A 9 -19.259 -9.320 -15.609 1.00 0.00 O ATOM 127 CB ALA A 9 -19.930 -11.976 -17.421 1.00 0.00 C ATOM 0 H ALA A 9 -20.624 -10.774 -19.433 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.232 -10.454 -16.702 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.660 -12.309 -16.419 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.747 -12.590 -17.800 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.067 -12.072 -18.080 1.00 0.00 H new ATOM 133 N ALA A 10 -18.416 -9.144 -17.700 1.00 0.00 N ATOM 134 CA ALA A 10 -17.330 -8.262 -17.308 1.00 0.00 C ATOM 135 C ALA A 10 -17.898 -6.887 -16.952 1.00 0.00 C ATOM 136 O ALA A 10 -17.336 -6.175 -16.121 1.00 0.00 O ATOM 137 CB ALA A 10 -16.297 -8.193 -18.434 1.00 0.00 C ATOM 0 H ALA A 10 -18.441 -9.374 -18.693 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.823 -8.647 -16.424 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -15.482 -7.531 -18.140 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.903 -9.191 -18.628 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.769 -7.808 -19.338 1.00 0.00 H new ATOM 143 N LEU A 11 -19.005 -6.554 -17.599 1.00 0.00 N ATOM 144 CA LEU A 11 -19.656 -5.277 -17.361 1.00 0.00 C ATOM 145 C LEU A 11 -20.237 -5.261 -15.946 1.00 0.00 C ATOM 146 O LEU A 11 -19.984 -4.335 -15.178 1.00 0.00 O ATOM 147 CB LEU A 11 -20.688 -4.990 -18.454 1.00 0.00 C ATOM 148 CG LEU A 11 -20.502 -3.682 -19.226 1.00 0.00 C ATOM 149 CD1 LEU A 11 -20.598 -2.475 -18.291 1.00 0.00 C ATOM 150 CD2 LEU A 11 -19.191 -3.693 -20.014 1.00 0.00 C ATOM 0 H LEU A 11 -19.468 -7.147 -18.288 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.932 -4.464 -17.417 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.672 -5.815 -19.167 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.678 -4.982 -17.998 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.312 -3.594 -19.950 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -20.462 -1.558 -18.865 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -21.577 -2.462 -17.813 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.823 -2.543 -17.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.083 -2.752 -20.554 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -18.354 -3.815 -19.326 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.200 -4.520 -20.724 1.00 0.00 H new ATOM 162 N VAL A 12 -21.006 -6.298 -15.645 1.00 0.00 N ATOM 163 CA VAL A 12 -21.626 -6.414 -14.336 1.00 0.00 C ATOM 164 C VAL A 12 -20.539 -6.616 -13.278 1.00 0.00 C ATOM 165 O VAL A 12 -20.430 -5.831 -12.338 1.00 0.00 O ATOM 166 CB VAL A 12 -22.665 -7.537 -14.347 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.239 -7.768 -12.948 1.00 0.00 C ATOM 168 CG2 VAL A 12 -23.778 -7.244 -15.355 1.00 0.00 C ATOM 0 H VAL A 12 -21.213 -7.065 -16.285 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.160 -5.498 -14.083 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.164 -8.454 -14.658 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.975 -8.571 -12.985 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.435 -8.043 -12.266 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.717 -6.854 -12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -24.503 -8.058 -15.343 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -24.275 -6.311 -15.088 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -23.350 -7.154 -16.353 1.00 0.00 H new ATOM 178 N THR A 13 -19.762 -7.673 -13.468 1.00 0.00 N ATOM 179 CA THR A 13 -18.688 -7.988 -12.542 1.00 0.00 C ATOM 180 C THR A 13 -17.864 -6.736 -12.236 1.00 0.00 C ATOM 181 O THR A 13 -17.859 -6.253 -11.104 1.00 0.00 O ATOM 182 CB THR A 13 -17.862 -9.126 -13.146 1.00 0.00 C ATOM 183 OG1 THR A 13 -18.786 -10.205 -13.255 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.792 -9.647 -12.184 1.00 0.00 C ATOM 0 H THR A 13 -19.855 -8.322 -14.250 1.00 0.00 H new ATOM 0 HA THR A 13 -19.079 -8.325 -11.582 1.00 0.00 H new ATOM 0 HB THR A 13 -17.387 -8.782 -14.065 1.00 0.00 H new ATOM 0 HG1 THR A 13 -19.178 -10.210 -14.153 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.235 -10.453 -12.661 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.109 -8.837 -11.926 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.269 -10.022 -11.278 1.00 0.00 H new ATOM 192 N PHE A 14 -17.186 -6.246 -13.264 1.00 0.00 N ATOM 193 CA PHE A 14 -16.360 -5.059 -13.118 1.00 0.00 C ATOM 194 C PHE A 14 -17.146 -3.921 -12.465 1.00 0.00 C ATOM 195 O PHE A 14 -16.724 -3.375 -11.446 1.00 0.00 O ATOM 196 CB PHE A 14 -15.941 -4.631 -14.526 1.00 0.00 C ATOM 197 CG PHE A 14 -14.907 -3.504 -14.552 1.00 0.00 C ATOM 198 CD1 PHE A 14 -15.299 -2.216 -14.355 1.00 0.00 C ATOM 199 CD2 PHE A 14 -13.595 -3.789 -14.770 1.00 0.00 C ATOM 200 CE1 PHE A 14 -14.339 -1.170 -14.379 1.00 0.00 C ATOM 201 CE2 PHE A 14 -12.635 -2.743 -14.794 1.00 0.00 C ATOM 202 CZ PHE A 14 -13.027 -1.456 -14.598 1.00 0.00 C ATOM 0 H PHE A 14 -17.192 -6.649 -14.201 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.500 -5.279 -12.486 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.535 -5.495 -15.051 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -16.826 -4.311 -15.076 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.340 -1.989 -14.180 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.283 -4.811 -14.925 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.650 -0.148 -14.223 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.594 -2.970 -14.968 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.297 -0.660 -14.616 1.00 0.00 H new ATOM 212 N GLY A 15 -18.276 -3.596 -13.077 1.00 0.00 N ATOM 213 CA GLY A 15 -19.124 -2.533 -12.567 1.00 0.00 C ATOM 214 C GLY A 15 -19.342 -2.679 -11.060 1.00 0.00 C ATOM 215 O GLY A 15 -18.748 -1.948 -10.269 1.00 0.00 O ATOM 0 H GLY A 15 -18.623 -4.051 -13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.668 -1.566 -12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.085 -2.552 -13.080 1.00 0.00 H new ATOM 219 N SER A 16 -20.194 -3.630 -10.707 1.00 0.00 N ATOM 220 CA SER A 16 -20.498 -3.882 -9.308 1.00 0.00 C ATOM 221 C SER A 16 -19.227 -3.752 -8.466 1.00 0.00 C ATOM 222 O SER A 16 -19.218 -3.055 -7.453 1.00 0.00 O ATOM 223 CB SER A 16 -21.120 -5.267 -9.121 1.00 0.00 C ATOM 224 OG SER A 16 -22.543 -5.212 -9.080 1.00 0.00 O ATOM 0 H SER A 16 -20.684 -4.236 -11.366 1.00 0.00 H new ATOM 0 HA SER A 16 -21.224 -3.140 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.806 -5.919 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.748 -5.710 -8.197 1.00 0.00 H new ATOM 0 HG SER A 16 -22.902 -6.116 -8.961 1.00 0.00 H new ATOM 230 N ILE A 17 -18.184 -4.435 -8.916 1.00 0.00 N ATOM 231 CA ILE A 17 -16.911 -4.405 -8.217 1.00 0.00 C ATOM 232 C ILE A 17 -16.530 -2.953 -7.923 1.00 0.00 C ATOM 233 O ILE A 17 -16.262 -2.597 -6.777 1.00 0.00 O ATOM 234 CB ILE A 17 -15.849 -5.173 -9.005 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.097 -6.681 -8.935 1.00 0.00 C ATOM 236 CG2 ILE A 17 -14.441 -4.802 -8.533 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.237 -7.427 -9.957 1.00 0.00 C ATOM 0 H ILE A 17 -18.195 -5.013 -9.757 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.991 -4.914 -7.257 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.925 -4.882 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.873 -7.044 -7.932 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.151 -6.889 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.705 -5.362 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.279 -3.734 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.336 -5.046 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.433 -8.497 -9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.481 -7.079 -10.961 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.183 -7.237 -9.754 1.00 0.00 H new ATOM 249 N PHE A 18 -16.517 -2.153 -8.980 1.00 0.00 N ATOM 250 CA PHE A 18 -16.172 -0.747 -8.850 1.00 0.00 C ATOM 251 C PHE A 18 -17.102 -0.044 -7.859 1.00 0.00 C ATOM 252 O PHE A 18 -16.702 0.915 -7.200 1.00 0.00 O ATOM 253 CB PHE A 18 -16.347 -0.115 -10.232 1.00 0.00 C ATOM 254 CG PHE A 18 -15.520 1.155 -10.445 1.00 0.00 C ATOM 255 CD1 PHE A 18 -15.907 2.323 -9.866 1.00 0.00 C ATOM 256 CD2 PHE A 18 -14.398 1.114 -11.212 1.00 0.00 C ATOM 257 CE1 PHE A 18 -15.139 3.501 -10.064 1.00 0.00 C ATOM 258 CE2 PHE A 18 -13.630 2.292 -11.409 1.00 0.00 C ATOM 259 CZ PHE A 18 -14.016 3.461 -10.831 1.00 0.00 C ATOM 0 H PHE A 18 -16.740 -2.452 -9.930 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.151 -0.646 -8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.073 -0.847 -10.992 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.401 0.121 -10.382 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.798 2.355 -9.256 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.091 0.186 -11.671 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.447 4.429 -9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.739 2.260 -12.018 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.432 4.357 -10.981 1.00 0.00 H new ATOM 269 N GLY A 19 -18.325 -0.548 -7.784 1.00 0.00 N ATOM 270 CA GLY A 19 -19.314 0.020 -6.884 1.00 0.00 C ATOM 271 C GLY A 19 -19.039 -0.391 -5.436 1.00 0.00 C ATOM 272 O GLY A 19 -19.398 0.327 -4.504 1.00 0.00 O ATOM 0 H GLY A 19 -18.653 -1.343 -8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -19.303 1.107 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -20.310 -0.312 -7.177 1.00 0.00 H new ATOM 276 N TYR A 20 -18.403 -1.545 -5.293 1.00 0.00 N ATOM 277 CA TYR A 20 -18.075 -2.060 -3.975 1.00 0.00 C ATOM 278 C TYR A 20 -17.392 -3.426 -4.074 1.00 0.00 C ATOM 279 O TYR A 20 -16.283 -3.606 -3.575 1.00 0.00 O ATOM 280 CB TYR A 20 -19.408 -2.221 -3.241 1.00 0.00 C ATOM 281 CG TYR A 20 -19.372 -1.774 -1.779 1.00 0.00 C ATOM 282 CD1 TYR A 20 -18.880 -0.527 -1.450 1.00 0.00 C ATOM 283 CD2 TYR A 20 -19.831 -2.617 -0.788 1.00 0.00 C ATOM 284 CE1 TYR A 20 -18.845 -0.106 -0.074 1.00 0.00 C ATOM 285 CE2 TYR A 20 -19.797 -2.196 0.589 1.00 0.00 C ATOM 286 CZ TYR A 20 -19.306 -0.962 0.878 1.00 0.00 C ATOM 287 OH TYR A 20 -19.274 -0.564 2.178 1.00 0.00 O ATOM 0 H TYR A 20 -18.106 -2.138 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 20 -17.392 -1.385 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -20.172 -1.648 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.710 -3.268 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.521 0.133 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.216 -3.593 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.462 0.867 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.154 -2.846 1.374 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.635 -1.276 2.747 1.00 0.00 H new ATOM 297 N LYS A 21 -18.085 -4.352 -4.720 1.00 0.00 N ATOM 298 CA LYS A 21 -17.559 -5.696 -4.891 1.00 0.00 C ATOM 299 C LYS A 21 -16.059 -5.619 -5.181 1.00 0.00 C ATOM 300 O LYS A 21 -15.569 -4.604 -5.674 1.00 0.00 O ATOM 301 CB LYS A 21 -18.354 -6.450 -5.959 1.00 0.00 C ATOM 302 CG LYS A 21 -19.073 -7.659 -5.356 1.00 0.00 C ATOM 303 CD LYS A 21 -18.198 -8.912 -5.434 1.00 0.00 C ATOM 304 CE LYS A 21 -18.551 -9.897 -4.318 1.00 0.00 C ATOM 305 NZ LYS A 21 -19.849 -10.551 -4.595 1.00 0.00 N ATOM 0 H LYS A 21 -19.006 -4.198 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.677 -6.271 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.082 -5.780 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.683 -6.780 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.328 -7.454 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.010 -7.831 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.330 -9.393 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.147 -8.632 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.769 -10.651 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.598 -9.373 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.073 -11.216 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.595 -9.829 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.792 -11.068 -5.496 1.00 0.00 H new ATOM 319 N ARG A 22 -15.371 -6.706 -4.862 1.00 0.00 N ATOM 320 CA ARG A 22 -13.936 -6.774 -5.082 1.00 0.00 C ATOM 321 C ARG A 22 -13.380 -8.095 -4.547 1.00 0.00 C ATOM 322 O ARG A 22 -12.518 -8.099 -3.669 1.00 0.00 O ATOM 323 CB ARG A 22 -13.218 -5.610 -4.397 1.00 0.00 C ATOM 324 CG ARG A 22 -13.715 -5.428 -2.961 1.00 0.00 C ATOM 325 CD ARG A 22 -13.137 -4.156 -2.338 1.00 0.00 C ATOM 326 NE ARG A 22 -14.193 -3.429 -1.600 1.00 0.00 N ATOM 327 CZ ARG A 22 -13.954 -2.540 -0.626 1.00 0.00 C ATOM 328 NH1 ARG A 22 -12.693 -2.264 -0.267 1.00 0.00 N ATOM 329 NH2 ARG A 22 -14.975 -1.928 -0.012 1.00 0.00 N ATOM 0 H ARG A 22 -15.780 -7.546 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.761 -6.711 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.143 -5.792 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.384 -4.693 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.804 -5.379 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.430 -6.293 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.320 -4.411 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.720 -3.517 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.164 -3.616 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.916 -2.730 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.510 -1.588 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.935 -2.139 -0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.793 -1.251 0.729 1.00 0.00 H new ATOM 343 N ARG A 23 -13.895 -9.184 -5.098 1.00 0.00 N ATOM 344 CA ARG A 23 -13.460 -10.508 -4.687 1.00 0.00 C ATOM 345 C ARG A 23 -11.950 -10.518 -4.439 1.00 0.00 C ATOM 346 O ARG A 23 -11.195 -9.865 -5.158 1.00 0.00 O ATOM 347 CB ARG A 23 -13.801 -11.555 -5.749 1.00 0.00 C ATOM 348 CG ARG A 23 -14.289 -12.853 -5.103 1.00 0.00 C ATOM 349 CD ARG A 23 -15.287 -13.576 -6.010 1.00 0.00 C ATOM 350 NE ARG A 23 -16.638 -13.539 -5.407 1.00 0.00 N ATOM 351 CZ ARG A 23 -17.078 -14.418 -4.496 1.00 0.00 C ATOM 352 NH1 ARG A 23 -16.278 -15.408 -4.079 1.00 0.00 N ATOM 353 NH2 ARG A 23 -18.320 -14.307 -4.004 1.00 0.00 N ATOM 0 H ARG A 23 -14.610 -9.177 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.985 -10.757 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.570 -11.165 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.922 -11.757 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.439 -13.504 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.758 -12.632 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.305 -13.105 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.974 -14.610 -6.158 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.274 -12.798 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.334 -15.493 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.613 -16.077 -3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.930 -13.554 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.656 -14.976 -3.311 1.00 0.00 H new ATOM 367 N GLY A 24 -11.555 -11.265 -3.418 1.00 0.00 N ATOM 368 CA GLY A 24 -10.149 -11.368 -3.066 1.00 0.00 C ATOM 369 C GLY A 24 -9.980 -11.795 -1.606 1.00 0.00 C ATOM 370 O GLY A 24 -9.325 -12.796 -1.321 1.00 0.00 O ATOM 0 H GLY A 24 -12.184 -11.805 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.659 -12.090 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.659 -10.408 -3.227 1.00 0.00 H new ATOM 374 N GLY A 25 -10.581 -11.013 -0.721 1.00 0.00 N ATOM 375 CA GLY A 25 -10.505 -11.298 0.702 1.00 0.00 C ATOM 376 C GLY A 25 -10.184 -10.031 1.497 1.00 0.00 C ATOM 377 O GLY A 25 -9.595 -9.091 0.965 1.00 0.00 O ATOM 0 H GLY A 25 -11.122 -10.183 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.452 -11.716 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.739 -12.051 0.886 1.00 0.00 H new ATOM 381 N VAL A 26 -10.587 -10.046 2.760 1.00 0.00 N ATOM 382 CA VAL A 26 -10.350 -8.910 3.634 1.00 0.00 C ATOM 383 C VAL A 26 -8.881 -8.900 4.064 1.00 0.00 C ATOM 384 O VAL A 26 -8.200 -7.884 3.934 1.00 0.00 O ATOM 385 CB VAL A 26 -11.319 -8.949 4.818 1.00 0.00 C ATOM 386 CG1 VAL A 26 -10.597 -8.630 6.128 1.00 0.00 C ATOM 387 CG2 VAL A 26 -12.496 -7.998 4.594 1.00 0.00 C ATOM 0 H VAL A 26 -11.076 -10.827 3.198 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.541 -7.976 3.106 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.716 -9.961 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.308 -8.664 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.809 -9.364 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.158 -7.634 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.170 -8.045 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.124 -6.980 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.034 -8.291 3.692 1.00 0.00 H new ATOM 397 N PRO A 27 -8.426 -10.072 4.581 1.00 0.00 N ATOM 398 CA PRO A 27 -7.051 -10.208 5.030 1.00 0.00 C ATOM 399 C PRO A 27 -6.094 -10.320 3.842 1.00 0.00 C ATOM 400 O PRO A 27 -6.113 -11.312 3.116 1.00 0.00 O ATOM 401 CB PRO A 27 -7.046 -11.444 5.915 1.00 0.00 C ATOM 402 CG PRO A 27 -8.305 -12.217 5.557 1.00 0.00 C ATOM 403 CD PRO A 27 -9.205 -11.295 4.750 1.00 0.00 C ATOM 0 HA PRO A 27 -6.702 -9.336 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.155 -12.046 5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.043 -11.169 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.055 -13.107 4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.815 -12.555 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.463 -11.736 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.142 -11.099 5.272 1.00 0.00 H new ATOM 411 N SER A 28 -5.279 -9.288 3.680 1.00 0.00 N ATOM 412 CA SER A 28 -4.316 -9.258 2.592 1.00 0.00 C ATOM 413 C SER A 28 -3.880 -7.817 2.319 1.00 0.00 C ATOM 414 O SER A 28 -4.340 -6.889 2.983 1.00 0.00 O ATOM 415 CB SER A 28 -4.898 -9.886 1.324 1.00 0.00 C ATOM 416 OG SER A 28 -4.390 -11.198 1.097 1.00 0.00 O ATOM 0 H SER A 28 -5.266 -8.466 4.284 1.00 0.00 H new ATOM 0 HA SER A 28 -3.446 -9.844 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.984 -9.927 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.666 -9.254 0.467 1.00 0.00 H new ATOM 0 HG SER A 28 -4.806 -11.823 1.726 1.00 0.00 H new ATOM 422 N LEU A 29 -2.999 -7.675 1.340 1.00 0.00 N ATOM 423 CA LEU A 29 -2.496 -6.363 0.970 1.00 0.00 C ATOM 424 C LEU A 29 -3.645 -5.352 1.007 1.00 0.00 C ATOM 425 O LEU A 29 -3.485 -4.244 1.516 1.00 0.00 O ATOM 426 CB LEU A 29 -1.775 -6.425 -0.378 1.00 0.00 C ATOM 427 CG LEU A 29 -2.514 -7.157 -1.500 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.815 -6.213 -2.666 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.736 -8.395 -1.952 1.00 0.00 C ATOM 0 H LEU A 29 -2.620 -8.447 0.791 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.750 -6.025 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.573 -5.406 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.810 -6.909 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.471 -7.502 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.341 -6.759 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.438 -5.390 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.881 -5.817 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.283 -8.897 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.754 -8.094 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.616 -9.077 -1.110 1.00 0.00 H new ATOM 441 N ILE A 30 -4.777 -5.771 0.461 1.00 0.00 N ATOM 442 CA ILE A 30 -5.951 -4.917 0.425 1.00 0.00 C ATOM 443 C ILE A 30 -6.170 -4.299 1.807 1.00 0.00 C ATOM 444 O ILE A 30 -6.211 -3.077 1.946 1.00 0.00 O ATOM 445 CB ILE A 30 -7.162 -5.691 -0.101 1.00 0.00 C ATOM 446 CG1 ILE A 30 -6.953 -6.111 -1.557 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.450 -4.888 0.086 1.00 0.00 C ATOM 448 CD1 ILE A 30 -6.780 -4.889 -2.461 1.00 0.00 C ATOM 0 H ILE A 30 -4.906 -6.691 0.040 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.801 -4.093 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.265 -6.604 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.074 -6.751 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.805 -6.700 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.295 -5.461 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.600 -4.683 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.374 -3.947 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.633 -5.216 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.671 -4.264 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.912 -4.315 -2.135 1.00 0.00 H new ATOM 460 N ALA A 31 -6.303 -5.171 2.796 1.00 0.00 N ATOM 461 CA ALA A 31 -6.516 -4.726 4.162 1.00 0.00 C ATOM 462 C ALA A 31 -5.355 -3.826 4.588 1.00 0.00 C ATOM 463 O ALA A 31 -5.539 -2.901 5.378 1.00 0.00 O ATOM 464 CB ALA A 31 -6.676 -5.943 5.076 1.00 0.00 C ATOM 0 H ALA A 31 -6.267 -6.184 2.678 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.432 -4.139 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.836 -5.609 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.532 -6.534 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.774 -6.554 5.030 1.00 0.00 H new ATOM 470 N GLY A 32 -4.184 -4.128 4.046 1.00 0.00 N ATOM 471 CA GLY A 32 -2.993 -3.357 4.360 1.00 0.00 C ATOM 472 C GLY A 32 -3.099 -1.935 3.806 1.00 0.00 C ATOM 473 O GLY A 32 -2.543 -0.999 4.379 1.00 0.00 O ATOM 0 H GLY A 32 -4.035 -4.896 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.853 -3.321 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.115 -3.850 3.941 1.00 0.00 H new ATOM 477 N LEU A 33 -3.816 -1.817 2.698 1.00 0.00 N ATOM 478 CA LEU A 33 -4.002 -0.525 2.061 1.00 0.00 C ATOM 479 C LEU A 33 -5.081 0.259 2.811 1.00 0.00 C ATOM 480 O LEU A 33 -4.978 1.475 2.961 1.00 0.00 O ATOM 481 CB LEU A 33 -4.294 -0.700 0.569 1.00 0.00 C ATOM 482 CG LEU A 33 -3.552 0.248 -0.375 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.352 -0.448 -1.019 1.00 0.00 C ATOM 484 CD2 LEU A 33 -4.503 0.834 -1.421 1.00 0.00 C ATOM 0 H LEU A 33 -4.275 -2.596 2.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.085 0.062 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.050 -1.725 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.365 -0.573 0.411 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.165 1.081 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.842 0.248 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.662 -0.778 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.695 -1.311 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.951 1.504 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.940 0.026 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.297 1.389 -0.921 1.00 0.00 H new ATOM 496 N PHE A 34 -6.091 -0.470 3.262 1.00 0.00 N ATOM 497 CA PHE A 34 -7.188 0.141 3.992 1.00 0.00 C ATOM 498 C PHE A 34 -6.692 0.785 5.289 1.00 0.00 C ATOM 499 O PHE A 34 -6.948 1.961 5.540 1.00 0.00 O ATOM 500 CB PHE A 34 -8.174 -0.976 4.337 1.00 0.00 C ATOM 501 CG PHE A 34 -9.632 -0.519 4.408 1.00 0.00 C ATOM 502 CD1 PHE A 34 -10.031 0.333 5.390 1.00 0.00 C ATOM 503 CD2 PHE A 34 -10.531 -0.965 3.490 1.00 0.00 C ATOM 504 CE1 PHE A 34 -11.384 0.758 5.457 1.00 0.00 C ATOM 505 CE2 PHE A 34 -11.884 -0.541 3.556 1.00 0.00 C ATOM 506 CZ PHE A 34 -12.282 0.311 4.538 1.00 0.00 C ATOM 0 H PHE A 34 -6.172 -1.479 3.136 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.651 0.919 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.088 -1.766 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.893 -1.411 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.318 0.687 6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.215 -1.642 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.700 1.435 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.597 -0.895 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.312 0.633 4.588 1.00 0.00 H new ATOM 516 N VAL A 35 -5.990 -0.015 6.078 1.00 0.00 N ATOM 517 CA VAL A 35 -5.455 0.462 7.342 1.00 0.00 C ATOM 518 C VAL A 35 -4.333 1.465 7.071 1.00 0.00 C ATOM 519 O VAL A 35 -4.350 2.579 7.593 1.00 0.00 O ATOM 520 CB VAL A 35 -5.004 -0.722 8.200 1.00 0.00 C ATOM 521 CG1 VAL A 35 -4.221 -0.245 9.424 1.00 0.00 C ATOM 522 CG2 VAL A 35 -6.198 -1.585 8.614 1.00 0.00 C ATOM 0 H VAL A 35 -5.779 -0.990 5.866 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.226 0.983 7.910 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.338 -1.339 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.912 -1.106 10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.339 0.307 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.853 0.405 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.850 -2.419 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.900 -0.983 9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.696 -1.968 7.723 1.00 0.00 H new ATOM 532 N GLY A 36 -3.383 1.035 6.253 1.00 0.00 N ATOM 533 CA GLY A 36 -2.254 1.882 5.906 1.00 0.00 C ATOM 534 C GLY A 36 -2.725 3.268 5.462 1.00 0.00 C ATOM 535 O GLY A 36 -2.203 4.282 5.923 1.00 0.00 O ATOM 0 H GLY A 36 -3.372 0.111 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.589 1.978 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.678 1.416 5.107 1.00 0.00 H new ATOM 539 N CYS A 37 -3.708 3.268 4.573 1.00 0.00 N ATOM 540 CA CYS A 37 -4.255 4.514 4.063 1.00 0.00 C ATOM 541 C CYS A 37 -4.928 5.253 5.221 1.00 0.00 C ATOM 542 O CYS A 37 -4.805 6.471 5.339 1.00 0.00 O ATOM 543 CB CYS A 37 -5.221 4.273 2.901 1.00 0.00 C ATOM 544 SG CYS A 37 -5.533 5.841 2.012 1.00 0.00 S ATOM 0 H CYS A 37 -4.139 2.425 4.193 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.451 5.129 3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.803 3.534 2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.160 3.865 3.276 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.353 5.625 1.026 1.00 0.00 H new ATOM 550 N LEU A 38 -5.624 4.485 6.046 1.00 0.00 N ATOM 551 CA LEU A 38 -6.317 5.052 7.191 1.00 0.00 C ATOM 552 C LEU A 38 -5.365 5.980 7.949 1.00 0.00 C ATOM 553 O LEU A 38 -5.608 7.183 8.043 1.00 0.00 O ATOM 554 CB LEU A 38 -6.915 3.943 8.059 1.00 0.00 C ATOM 555 CG LEU A 38 -8.206 4.295 8.801 1.00 0.00 C ATOM 556 CD1 LEU A 38 -8.801 3.061 9.481 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.975 5.439 9.790 1.00 0.00 C ATOM 0 H LEU A 38 -5.723 3.475 5.945 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.161 5.658 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.108 3.077 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.168 3.641 8.793 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.936 4.643 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.718 3.339 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.025 2.304 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.085 2.660 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.908 5.670 10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.222 5.142 10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.630 6.322 9.251 1.00 0.00 H new ATOM 569 N ALA A 39 -4.302 5.387 8.471 1.00 0.00 N ATOM 570 CA ALA A 39 -3.313 6.145 9.218 1.00 0.00 C ATOM 571 C ALA A 39 -2.763 7.267 8.334 1.00 0.00 C ATOM 572 O ALA A 39 -2.988 8.445 8.609 1.00 0.00 O ATOM 573 CB ALA A 39 -2.214 5.202 9.714 1.00 0.00 C ATOM 0 H ALA A 39 -4.104 4.390 8.391 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.766 6.607 10.095 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.472 5.771 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.652 4.441 10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.734 4.722 8.861 1.00 0.00 H new ATOM 579 N GLY A 40 -2.052 6.861 7.292 1.00 0.00 N ATOM 580 CA GLY A 40 -1.469 7.818 6.366 1.00 0.00 C ATOM 581 C GLY A 40 -2.401 9.011 6.151 1.00 0.00 C ATOM 582 O GLY A 40 -2.127 10.112 6.626 1.00 0.00 O ATOM 0 H GLY A 40 -1.866 5.883 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.511 8.166 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.270 7.331 5.411 1.00 0.00 H new ATOM 586 N TYR A 41 -3.485 8.753 5.433 1.00 0.00 N ATOM 587 CA TYR A 41 -4.460 9.792 5.148 1.00 0.00 C ATOM 588 C TYR A 41 -4.664 10.700 6.363 1.00 0.00 C ATOM 589 O TYR A 41 -4.547 11.920 6.257 1.00 0.00 O ATOM 590 CB TYR A 41 -5.772 9.067 4.842 1.00 0.00 C ATOM 591 CG TYR A 41 -6.818 9.941 4.147 1.00 0.00 C ATOM 592 CD1 TYR A 41 -6.666 10.272 2.816 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.913 10.398 4.851 1.00 0.00 C ATOM 594 CE1 TYR A 41 -7.650 11.094 2.162 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.898 11.220 4.197 1.00 0.00 C ATOM 596 CZ TYR A 41 -8.718 11.527 2.884 1.00 0.00 C ATOM 597 OH TYR A 41 -9.648 12.304 2.266 1.00 0.00 O ATOM 0 H TYR A 41 -3.709 7.839 5.040 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.125 10.416 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.559 8.203 4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.191 8.688 5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.809 9.914 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.031 10.139 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.543 11.361 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.760 11.584 4.736 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.355 12.538 2.903 1.00 0.00 H new ATOM 607 N GLY A 42 -4.965 10.070 7.489 1.00 0.00 N ATOM 608 CA GLY A 42 -5.186 10.805 8.722 1.00 0.00 C ATOM 609 C GLY A 42 -4.009 11.735 9.024 1.00 0.00 C ATOM 610 O GLY A 42 -4.199 12.930 9.247 1.00 0.00 O ATOM 0 H GLY A 42 -5.061 9.058 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.104 11.388 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.323 10.106 9.547 1.00 0.00 H new ATOM 614 N ALA A 43 -2.820 11.152 9.023 1.00 0.00 N ATOM 615 CA ALA A 43 -1.612 11.914 9.294 1.00 0.00 C ATOM 616 C ALA A 43 -1.551 13.116 8.350 1.00 0.00 C ATOM 617 O ALA A 43 -0.996 14.157 8.701 1.00 0.00 O ATOM 618 CB ALA A 43 -0.392 11.002 9.157 1.00 0.00 C ATOM 0 H ALA A 43 -2.666 10.161 8.839 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.620 12.296 10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.514 11.573 9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.470 10.180 9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.349 10.602 8.144 1.00 0.00 H new ATOM 624 N TYR A 44 -2.127 12.934 7.171 1.00 0.00 N ATOM 625 CA TYR A 44 -2.144 13.991 6.175 1.00 0.00 C ATOM 626 C TYR A 44 -3.302 14.960 6.423 1.00 0.00 C ATOM 627 O TYR A 44 -3.213 16.139 6.083 1.00 0.00 O ATOM 628 CB TYR A 44 -2.357 13.297 4.828 1.00 0.00 C ATOM 629 CG TYR A 44 -3.183 14.112 3.831 1.00 0.00 C ATOM 630 CD1 TYR A 44 -2.776 15.381 3.473 1.00 0.00 C ATOM 631 CD2 TYR A 44 -4.335 13.578 3.291 1.00 0.00 C ATOM 632 CE1 TYR A 44 -3.554 16.149 2.535 1.00 0.00 C ATOM 633 CE2 TYR A 44 -5.113 14.346 2.353 1.00 0.00 C ATOM 634 CZ TYR A 44 -4.684 15.593 2.021 1.00 0.00 C ATOM 635 OH TYR A 44 -5.419 16.318 1.135 1.00 0.00 O ATOM 0 H TYR A 44 -2.586 12.070 6.883 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.218 14.565 6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.385 13.079 4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.852 12.341 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.874 15.798 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.653 12.585 3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.247 17.143 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.017 13.940 1.923 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.197 15.795 0.851 1.00 0.00 H new ATOM 645 N ARG A 45 -4.361 14.427 7.015 1.00 0.00 N ATOM 646 CA ARG A 45 -5.534 15.231 7.314 1.00 0.00 C ATOM 647 C ARG A 45 -5.120 16.561 7.946 1.00 0.00 C ATOM 648 O ARG A 45 -5.506 17.626 7.468 1.00 0.00 O ATOM 649 CB ARG A 45 -6.479 14.494 8.265 1.00 0.00 C ATOM 650 CG ARG A 45 -7.941 14.790 7.925 1.00 0.00 C ATOM 651 CD ARG A 45 -8.794 13.524 8.023 1.00 0.00 C ATOM 652 NE ARG A 45 -9.328 13.379 9.396 1.00 0.00 N ATOM 653 CZ ARG A 45 -10.118 12.371 9.792 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.471 11.415 8.922 1.00 0.00 N ATOM 655 NH2 ARG A 45 -10.555 12.320 11.057 1.00 0.00 N ATOM 0 H ARG A 45 -4.431 13.449 7.295 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.055 15.418 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.298 13.421 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.273 14.794 9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.330 15.548 8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.008 15.201 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.615 13.572 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.195 12.651 7.763 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.079 14.090 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.139 11.454 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.072 10.648 9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.287 13.048 11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.156 11.553 11.358 1.00 0.00 H new ATOM 669 N VAL A 46 -4.340 16.455 9.012 1.00 0.00 N ATOM 670 CA VAL A 46 -3.869 17.636 9.715 1.00 0.00 C ATOM 671 C VAL A 46 -3.298 17.223 11.073 1.00 0.00 C ATOM 672 O VAL A 46 -3.943 17.408 12.104 1.00 0.00 O ATOM 673 CB VAL A 46 -4.998 18.662 9.829 1.00 0.00 C ATOM 674 CG1 VAL A 46 -6.349 17.971 10.025 1.00 0.00 C ATOM 675 CG2 VAL A 46 -4.723 19.658 10.957 1.00 0.00 C ATOM 0 H VAL A 46 -4.022 15.569 9.406 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.065 18.117 9.157 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.039 19.219 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.134 18.723 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.552 17.321 9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.324 17.376 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.541 20.376 11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.641 19.123 11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.791 20.186 10.757 1.00 0.00 H new ATOM 685 N SER A 47 -2.094 16.670 11.029 1.00 0.00 N ATOM 686 CA SER A 47 -1.429 16.229 12.243 1.00 0.00 C ATOM 687 C SER A 47 0.083 16.172 12.020 1.00 0.00 C ATOM 688 O SER A 47 0.830 16.956 12.604 1.00 0.00 O ATOM 689 CB SER A 47 -1.951 14.862 12.692 1.00 0.00 C ATOM 690 OG SER A 47 -2.575 14.923 13.971 1.00 0.00 O ATOM 0 H SER A 47 -1.563 16.518 10.172 1.00 0.00 H new ATOM 0 HA SER A 47 -1.647 16.948 13.033 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.664 14.487 11.958 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.125 14.152 12.725 1.00 0.00 H new ATOM 0 HG SER A 47 -2.896 14.032 14.221 1.00 0.00 H new ATOM 696 N ASN A 48 0.490 15.237 11.174 1.00 0.00 N ATOM 697 CA ASN A 48 1.900 15.068 10.867 1.00 0.00 C ATOM 698 C ASN A 48 2.046 14.535 9.440 1.00 0.00 C ATOM 699 O ASN A 48 1.674 13.398 9.157 1.00 0.00 O ATOM 700 CB ASN A 48 2.554 14.062 11.817 1.00 0.00 C ATOM 701 CG ASN A 48 3.654 14.727 12.647 1.00 0.00 C ATOM 702 OD1 ASN A 48 4.108 15.822 12.360 1.00 0.00 O ATOM 703 ND2 ASN A 48 4.056 14.005 13.689 1.00 0.00 N ATOM 0 H ASN A 48 -0.132 14.589 10.692 1.00 0.00 H new ATOM 0 HA ASN A 48 2.388 16.037 10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.799 13.638 12.480 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.975 13.236 11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.787 14.361 14.305 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.633 13.095 13.872 1.00 0.00 H new ATOM 710 N ASP A 49 2.590 15.383 8.579 1.00 0.00 N ATOM 711 CA ASP A 49 2.790 15.012 7.189 1.00 0.00 C ATOM 712 C ASP A 49 3.765 15.995 6.538 1.00 0.00 C ATOM 713 O ASP A 49 4.795 15.591 6.002 1.00 0.00 O ATOM 714 CB ASP A 49 1.474 15.065 6.410 1.00 0.00 C ATOM 715 CG ASP A 49 0.551 16.228 6.777 1.00 0.00 C ATOM 716 OD1 ASP A 49 0.113 16.356 7.930 1.00 0.00 O ATOM 717 OD2 ASP A 49 0.281 17.037 5.809 1.00 0.00 O ATOM 0 H ASP A 49 2.898 16.326 8.818 1.00 0.00 H new ATOM 0 HA ASP A 49 3.183 13.996 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.702 15.124 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.937 14.130 6.570 1.00 0.00 H new ATOM 780 N VAL A 53 4.420 12.683 0.483 1.00 0.00 N ATOM 781 CA VAL A 53 5.330 12.152 -0.518 1.00 0.00 C ATOM 782 C VAL A 53 6.417 11.327 0.173 1.00 0.00 C ATOM 783 O VAL A 53 6.815 10.275 -0.326 1.00 0.00 O ATOM 784 CB VAL A 53 5.894 13.292 -1.369 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.465 14.404 -0.487 1.00 0.00 C ATOM 786 CG2 VAL A 53 6.948 12.774 -2.350 1.00 0.00 C ATOM 0 HA VAL A 53 4.801 11.486 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 53 5.074 13.714 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.859 15.202 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.677 14.802 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.266 14.002 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.333 13.604 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.766 12.314 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.497 12.034 -3.012 1.00 0.00 H new ATOM 796 N LYS A 54 6.868 11.835 1.310 1.00 0.00 N ATOM 797 CA LYS A 54 7.902 11.158 2.075 1.00 0.00 C ATOM 798 C LYS A 54 7.257 10.092 2.963 1.00 0.00 C ATOM 799 O LYS A 54 7.794 8.996 3.111 1.00 0.00 O ATOM 800 CB LYS A 54 8.748 12.173 2.847 1.00 0.00 C ATOM 801 CG LYS A 54 7.861 13.162 3.606 1.00 0.00 C ATOM 802 CD LYS A 54 8.643 13.850 4.727 1.00 0.00 C ATOM 803 CE LYS A 54 8.861 12.900 5.907 1.00 0.00 C ATOM 804 NZ LYS A 54 7.849 13.141 6.960 1.00 0.00 N ATOM 0 H LYS A 54 6.536 12.708 1.721 1.00 0.00 H new ATOM 0 HA LYS A 54 8.594 10.642 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.399 11.651 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.394 12.715 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.472 13.911 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.002 12.638 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.606 14.191 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.102 14.735 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.800 11.867 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.861 13.042 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.011 12.488 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.926 14.122 7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.898 12.983 6.570 1.00 0.00 H new ATOM 818 N VAL A 55 6.116 10.452 3.532 1.00 0.00 N ATOM 819 CA VAL A 55 5.393 9.540 4.401 1.00 0.00 C ATOM 820 C VAL A 55 5.412 8.137 3.791 1.00 0.00 C ATOM 821 O VAL A 55 5.888 7.191 4.417 1.00 0.00 O ATOM 822 CB VAL A 55 3.977 10.065 4.649 1.00 0.00 C ATOM 823 CG1 VAL A 55 3.102 8.994 5.303 1.00 0.00 C ATOM 824 CG2 VAL A 55 4.005 11.341 5.493 1.00 0.00 C ATOM 0 H VAL A 55 5.675 11.363 3.408 1.00 0.00 H new ATOM 0 HA VAL A 55 5.877 9.477 5.375 1.00 0.00 H new ATOM 0 HB VAL A 55 3.538 10.312 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.101 9.393 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.042 8.124 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.538 8.701 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.986 11.693 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.473 11.131 6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.576 12.109 4.972 1.00 0.00 H new ATOM 834 N SER A 56 4.889 8.047 2.577 1.00 0.00 N ATOM 835 CA SER A 56 4.840 6.776 1.876 1.00 0.00 C ATOM 836 C SER A 56 6.213 6.102 1.918 1.00 0.00 C ATOM 837 O SER A 56 6.312 4.902 2.172 1.00 0.00 O ATOM 838 CB SER A 56 4.386 6.964 0.427 1.00 0.00 C ATOM 839 OG SER A 56 3.072 6.457 0.209 1.00 0.00 O ATOM 0 H SER A 56 4.495 8.834 2.061 1.00 0.00 H new ATOM 0 HA SER A 56 4.113 6.137 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.412 8.024 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.085 6.459 -0.240 1.00 0.00 H new ATOM 0 HG SER A 56 2.818 6.597 -0.727 1.00 0.00 H new ATOM 845 N LEU A 57 7.238 6.902 1.666 1.00 0.00 N ATOM 846 CA LEU A 57 8.601 6.398 1.673 1.00 0.00 C ATOM 847 C LEU A 57 8.878 5.708 3.010 1.00 0.00 C ATOM 848 O LEU A 57 9.509 4.652 3.049 1.00 0.00 O ATOM 849 CB LEU A 57 9.589 7.518 1.343 1.00 0.00 C ATOM 850 CG LEU A 57 10.514 7.267 0.150 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.661 8.528 -0.705 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.869 6.726 0.611 1.00 0.00 C ATOM 0 H LEU A 57 7.152 7.896 1.456 1.00 0.00 H new ATOM 0 HA LEU A 57 8.733 5.648 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.023 8.430 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.205 7.703 2.223 1.00 0.00 H new ATOM 0 HG LEU A 57 10.059 6.502 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.323 8.322 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.683 8.830 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.082 9.331 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.507 6.556 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.343 7.449 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.723 5.786 1.144 1.00 0.00 H new ATOM 864 N PHE A 58 8.393 6.331 4.073 1.00 0.00 N ATOM 865 CA PHE A 58 8.581 5.790 5.409 1.00 0.00 C ATOM 866 C PHE A 58 7.664 4.589 5.648 1.00 0.00 C ATOM 867 O PHE A 58 7.944 3.750 6.502 1.00 0.00 O ATOM 868 CB PHE A 58 8.215 6.900 6.396 1.00 0.00 C ATOM 869 CG PHE A 58 9.419 7.684 6.925 1.00 0.00 C ATOM 870 CD1 PHE A 58 10.187 8.409 6.068 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.720 7.655 8.251 1.00 0.00 C ATOM 872 CE1 PHE A 58 11.304 9.136 6.559 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.836 8.383 8.741 1.00 0.00 C ATOM 874 CZ PHE A 58 11.605 9.107 7.885 1.00 0.00 C ATOM 0 H PHE A 58 7.870 7.206 4.037 1.00 0.00 H new ATOM 0 HA PHE A 58 9.611 5.457 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.528 7.593 5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.681 6.461 7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.948 8.432 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.110 7.078 8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.914 9.712 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.074 8.362 9.794 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.455 9.659 8.258 1.00 0.00 H new ATOM 884 N THR A 59 6.586 4.546 4.878 1.00 0.00 N ATOM 885 CA THR A 59 5.626 3.461 4.995 1.00 0.00 C ATOM 886 C THR A 59 6.206 2.170 4.415 1.00 0.00 C ATOM 887 O THR A 59 6.257 1.147 5.095 1.00 0.00 O ATOM 888 CB THR A 59 4.328 3.904 4.317 1.00 0.00 C ATOM 889 OG1 THR A 59 3.720 4.776 5.265 1.00 0.00 O ATOM 890 CG2 THR A 59 3.325 2.758 4.167 1.00 0.00 C ATOM 0 H THR A 59 6.356 5.245 4.171 1.00 0.00 H new ATOM 0 HA THR A 59 5.405 3.239 6.039 1.00 0.00 H new ATOM 0 HB THR A 59 4.555 4.318 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.872 5.111 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.422 3.126 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.766 1.966 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.072 2.365 5.152 1.00 0.00 H new ATOM 898 N ALA A 60 6.629 2.260 3.162 1.00 0.00 N ATOM 899 CA ALA A 60 7.204 1.112 2.482 1.00 0.00 C ATOM 900 C ALA A 60 8.535 0.747 3.143 1.00 0.00 C ATOM 901 O ALA A 60 8.848 -0.431 3.308 1.00 0.00 O ATOM 902 CB ALA A 60 7.359 1.425 0.993 1.00 0.00 C ATOM 0 H ALA A 60 6.585 3.110 2.600 1.00 0.00 H new ATOM 0 HA ALA A 60 6.546 0.247 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.790 0.564 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.382 1.648 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.015 2.286 0.869 1.00 0.00 H new ATOM 908 N PHE A 61 9.283 1.780 3.503 1.00 0.00 N ATOM 909 CA PHE A 61 10.573 1.583 4.141 1.00 0.00 C ATOM 910 C PHE A 61 10.429 0.765 5.427 1.00 0.00 C ATOM 911 O PHE A 61 11.068 -0.275 5.580 1.00 0.00 O ATOM 912 CB PHE A 61 11.116 2.970 4.491 1.00 0.00 C ATOM 913 CG PHE A 61 12.266 2.952 5.500 1.00 0.00 C ATOM 914 CD1 PHE A 61 13.483 2.467 5.134 1.00 0.00 C ATOM 915 CD2 PHE A 61 12.072 3.421 6.761 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.551 2.450 6.070 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.139 3.404 7.697 1.00 0.00 C ATOM 918 CZ PHE A 61 14.356 2.920 7.332 1.00 0.00 C ATOM 0 H PHE A 61 9.020 2.756 3.365 1.00 0.00 H new ATOM 0 HA PHE A 61 11.241 1.042 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.456 3.457 3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.304 3.576 4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.637 2.095 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.106 3.807 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.517 2.064 5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.984 3.776 8.699 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.168 2.909 8.044 1.00 0.00 H new ATOM 928 N PHE A 62 9.587 1.267 6.318 1.00 0.00 N ATOM 929 CA PHE A 62 9.351 0.597 7.586 1.00 0.00 C ATOM 930 C PHE A 62 8.754 -0.795 7.367 1.00 0.00 C ATOM 931 O PHE A 62 9.072 -1.733 8.096 1.00 0.00 O ATOM 932 CB PHE A 62 8.350 1.452 8.364 1.00 0.00 C ATOM 933 CG PHE A 62 7.769 0.760 9.599 1.00 0.00 C ATOM 934 CD1 PHE A 62 8.436 0.810 10.784 1.00 0.00 C ATOM 935 CD2 PHE A 62 6.586 0.095 9.513 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.897 0.168 11.930 1.00 0.00 C ATOM 937 CE2 PHE A 62 6.046 -0.547 10.659 1.00 0.00 C ATOM 938 CZ PHE A 62 6.713 -0.497 11.843 1.00 0.00 C ATOM 0 H PHE A 62 9.059 2.130 6.187 1.00 0.00 H new ATOM 0 HA PHE A 62 10.291 0.479 8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.840 2.375 8.674 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.533 1.732 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.376 1.338 10.853 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.057 0.055 8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.427 0.207 12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.106 -1.075 10.590 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.303 -0.985 12.715 1.00 0.00 H new ATOM 948 N LEU A 63 7.898 -0.885 6.359 1.00 0.00 N ATOM 949 CA LEU A 63 7.254 -2.146 6.035 1.00 0.00 C ATOM 950 C LEU A 63 8.323 -3.202 5.749 1.00 0.00 C ATOM 951 O LEU A 63 8.409 -4.210 6.449 1.00 0.00 O ATOM 952 CB LEU A 63 6.253 -1.959 4.893 1.00 0.00 C ATOM 953 CG LEU A 63 4.778 -2.137 5.257 1.00 0.00 C ATOM 954 CD1 LEU A 63 4.263 -0.939 6.059 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.932 -2.397 4.009 1.00 0.00 C ATOM 0 H LEU A 63 7.636 -0.105 5.756 1.00 0.00 H new ATOM 0 HA LEU A 63 6.671 -2.504 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.386 -0.959 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.499 -2.667 4.101 1.00 0.00 H new ATOM 0 HG LEU A 63 4.688 -3.016 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.212 -1.091 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.840 -0.841 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.369 -0.031 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.888 -2.520 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.023 -1.553 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.281 -3.304 3.515 1.00 0.00 H new ATOM 967 N ALA A 64 9.112 -2.935 4.719 1.00 0.00 N ATOM 968 CA ALA A 64 10.173 -3.850 4.331 1.00 0.00 C ATOM 969 C ALA A 64 11.035 -4.171 5.554 1.00 0.00 C ATOM 970 O ALA A 64 11.278 -5.338 5.856 1.00 0.00 O ATOM 971 CB ALA A 64 10.985 -3.235 3.190 1.00 0.00 C ATOM 0 H ALA A 64 9.038 -2.098 4.141 1.00 0.00 H new ATOM 0 HA ALA A 64 9.757 -4.789 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.781 -3.921 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.332 -3.053 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.421 -2.293 3.521 1.00 0.00 H new ATOM 977 N THR A 65 11.473 -3.115 6.223 1.00 0.00 N ATOM 978 CA THR A 65 12.303 -3.270 7.406 1.00 0.00 C ATOM 979 C THR A 65 11.613 -4.179 8.426 1.00 0.00 C ATOM 980 O THR A 65 12.278 -4.872 9.194 1.00 0.00 O ATOM 981 CB THR A 65 12.616 -1.875 7.950 1.00 0.00 C ATOM 982 OG1 THR A 65 13.508 -1.319 6.987 1.00 0.00 O ATOM 983 CG2 THR A 65 13.440 -1.920 9.238 1.00 0.00 C ATOM 0 H THR A 65 11.269 -2.149 5.969 1.00 0.00 H new ATOM 0 HA THR A 65 13.246 -3.760 7.166 1.00 0.00 H new ATOM 0 HB THR A 65 11.684 -1.340 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.994 -0.851 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.634 -0.904 9.581 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.887 -2.463 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.387 -2.426 9.047 1.00 0.00 H new ATOM 991 N ILE A 66 10.289 -4.146 8.399 1.00 0.00 N ATOM 992 CA ILE A 66 9.502 -4.958 9.312 1.00 0.00 C ATOM 993 C ILE A 66 9.410 -6.385 8.768 1.00 0.00 C ATOM 994 O ILE A 66 9.301 -7.340 9.535 1.00 0.00 O ATOM 995 CB ILE A 66 8.141 -4.309 9.570 1.00 0.00 C ATOM 996 CG1 ILE A 66 8.265 -3.153 10.564 1.00 0.00 C ATOM 997 CG2 ILE A 66 7.115 -5.348 10.023 1.00 0.00 C ATOM 998 CD1 ILE A 66 8.692 -3.660 11.944 1.00 0.00 C ATOM 0 H ILE A 66 9.741 -3.570 7.760 1.00 0.00 H new ATOM 0 HA ILE A 66 9.989 -5.018 10.285 1.00 0.00 H new ATOM 0 HB ILE A 66 7.779 -3.889 8.632 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.993 -2.430 10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.311 -2.633 10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.156 -4.860 10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.999 -6.106 9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.457 -5.820 10.944 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.773 -2.818 12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.950 -4.365 12.318 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.658 -4.158 11.866 1.00 0.00 H new ATOM 1010 N MET A 67 9.456 -6.485 7.447 1.00 0.00 N ATOM 1011 CA MET A 67 9.379 -7.779 6.791 1.00 0.00 C ATOM 1012 C MET A 67 10.734 -8.489 6.817 1.00 0.00 C ATOM 1013 O MET A 67 10.867 -9.560 7.407 1.00 0.00 O ATOM 1014 CB MET A 67 8.928 -7.591 5.341 1.00 0.00 C ATOM 1015 CG MET A 67 7.517 -8.142 5.130 1.00 0.00 C ATOM 1016 SD MET A 67 6.572 -7.026 4.106 1.00 0.00 S ATOM 1017 CE MET A 67 4.971 -7.812 4.186 1.00 0.00 C ATOM 0 H MET A 67 9.546 -5.691 6.814 1.00 0.00 H new ATOM 0 HA MET A 67 8.657 -8.395 7.328 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.951 -6.532 5.084 1.00 0.00 H new ATOM 0 HB3 MET A 67 9.624 -8.097 4.672 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.568 -9.124 4.661 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.022 -8.274 6.092 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.255 -7.240 3.596 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.042 -8.824 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.637 -7.852 5.223 1.00 0.00 H new ATOM 1027 N GLY A 68 11.706 -7.862 6.170 1.00 0.00 N ATOM 1028 CA GLY A 68 13.046 -8.420 6.111 1.00 0.00 C ATOM 1029 C GLY A 68 13.415 -8.811 4.679 1.00 0.00 C ATOM 1030 O GLY A 68 12.579 -9.323 3.936 1.00 0.00 O ATOM 0 H GLY A 68 11.592 -6.973 5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.764 -7.692 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.108 -9.295 6.758 1.00 0.00 H new ATOM 1231 N PRO A 79 5.758 -11.589 -4.690 1.00 0.00 N ATOM 1232 CA PRO A 79 6.441 -10.716 -3.751 1.00 0.00 C ATOM 1233 C PRO A 79 6.717 -9.347 -4.376 1.00 0.00 C ATOM 1234 O PRO A 79 6.495 -8.316 -3.743 1.00 0.00 O ATOM 1235 CB PRO A 79 7.710 -11.462 -3.372 1.00 0.00 C ATOM 1236 CG PRO A 79 7.920 -12.506 -4.457 1.00 0.00 C ATOM 1237 CD PRO A 79 6.631 -12.614 -5.255 1.00 0.00 C ATOM 0 HA PRO A 79 5.842 -10.500 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.560 -10.782 -3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.610 -11.931 -2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.748 -12.221 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.178 -13.469 -4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.807 -12.443 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.189 -13.606 -5.161 1.00 0.00 H new ATOM 1245 N ALA A 80 7.197 -9.382 -5.610 1.00 0.00 N ATOM 1246 CA ALA A 80 7.505 -8.156 -6.328 1.00 0.00 C ATOM 1247 C ALA A 80 6.244 -7.295 -6.423 1.00 0.00 C ATOM 1248 O ALA A 80 6.288 -6.093 -6.164 1.00 0.00 O ATOM 1249 CB ALA A 80 8.080 -8.501 -7.703 1.00 0.00 C ATOM 0 H ALA A 80 7.380 -10.239 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 80 8.259 -7.578 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.311 -7.582 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.990 -9.088 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.349 -9.079 -8.268 1.00 0.00 H new ATOM 1255 N GLY A 81 5.150 -7.943 -6.795 1.00 0.00 N ATOM 1256 CA GLY A 81 3.879 -7.252 -6.927 1.00 0.00 C ATOM 1257 C GLY A 81 3.736 -6.159 -5.865 1.00 0.00 C ATOM 1258 O GLY A 81 3.314 -5.044 -6.170 1.00 0.00 O ATOM 0 H GLY A 81 5.118 -8.940 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.802 -6.811 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.061 -7.966 -6.831 1.00 0.00 H new ATOM 1262 N LEU A 82 4.097 -6.516 -4.642 1.00 0.00 N ATOM 1263 CA LEU A 82 4.014 -5.580 -3.534 1.00 0.00 C ATOM 1264 C LEU A 82 4.632 -4.244 -3.953 1.00 0.00 C ATOM 1265 O LEU A 82 3.956 -3.216 -3.950 1.00 0.00 O ATOM 1266 CB LEU A 82 4.645 -6.181 -2.276 1.00 0.00 C ATOM 1267 CG LEU A 82 3.863 -5.989 -0.975 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.597 -6.847 -0.965 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.749 -6.259 0.242 1.00 0.00 C ATOM 0 H LEU A 82 4.448 -7.441 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 82 2.973 -5.384 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.784 -7.250 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.636 -5.747 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 82 3.546 -4.948 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.060 -6.692 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.958 -6.563 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.869 -7.898 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.169 -6.115 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.117 -7.284 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.594 -5.570 0.237 1.00 0.00 H new ATOM 1281 N VAL A 83 5.908 -4.303 -4.304 1.00 0.00 N ATOM 1282 CA VAL A 83 6.624 -3.111 -4.725 1.00 0.00 C ATOM 1283 C VAL A 83 5.926 -2.506 -5.945 1.00 0.00 C ATOM 1284 O VAL A 83 5.980 -1.297 -6.160 1.00 0.00 O ATOM 1285 CB VAL A 83 8.094 -3.447 -4.983 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.745 -4.051 -3.738 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.240 -4.381 -6.186 1.00 0.00 C ATOM 0 H VAL A 83 6.465 -5.158 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 83 6.610 -2.359 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 83 8.614 -2.518 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.790 -4.281 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.689 -3.338 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.221 -4.966 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.295 -4.604 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.698 -5.307 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.831 -3.898 -7.073 1.00 0.00 H new ATOM 1297 N ALA A 84 5.286 -3.377 -6.713 1.00 0.00 N ATOM 1298 CA ALA A 84 4.578 -2.944 -7.905 1.00 0.00 C ATOM 1299 C ALA A 84 3.384 -2.078 -7.499 1.00 0.00 C ATOM 1300 O ALA A 84 3.026 -1.137 -8.205 1.00 0.00 O ATOM 1301 CB ALA A 84 4.159 -4.168 -8.723 1.00 0.00 C ATOM 0 H ALA A 84 5.244 -4.380 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 84 5.226 -2.336 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.628 -3.843 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.045 -4.733 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.505 -4.801 -8.122 1.00 0.00 H new ATOM 1307 N GLY A 85 2.801 -2.427 -6.361 1.00 0.00 N ATOM 1308 CA GLY A 85 1.654 -1.694 -5.852 1.00 0.00 C ATOM 1309 C GLY A 85 2.079 -0.339 -5.283 1.00 0.00 C ATOM 1310 O GLY A 85 1.522 0.695 -5.649 1.00 0.00 O ATOM 0 H GLY A 85 3.102 -3.208 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.929 -1.545 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.159 -2.279 -5.077 1.00 0.00 H new ATOM 1314 N LEU A 86 3.063 -0.387 -4.397 1.00 0.00 N ATOM 1315 CA LEU A 86 3.569 0.824 -3.773 1.00 0.00 C ATOM 1316 C LEU A 86 3.920 1.843 -4.859 1.00 0.00 C ATOM 1317 O LEU A 86 3.528 3.005 -4.775 1.00 0.00 O ATOM 1318 CB LEU A 86 4.734 0.497 -2.837 1.00 0.00 C ATOM 1319 CG LEU A 86 4.672 1.128 -1.444 1.00 0.00 C ATOM 1320 CD1 LEU A 86 4.572 2.652 -1.537 1.00 0.00 C ATOM 1321 CD2 LEU A 86 3.531 0.528 -0.621 1.00 0.00 C ATOM 0 H LEU A 86 3.524 -1.246 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 86 2.803 1.278 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.789 -0.586 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.660 0.814 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 86 5.601 0.897 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.529 3.076 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.445 3.043 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.670 2.925 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.509 0.994 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.583 0.707 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.687 -0.545 -0.512 1.00 0.00 H new ATOM 1333 N SER A 87 4.656 1.370 -5.855 1.00 0.00 N ATOM 1334 CA SER A 87 5.064 2.225 -6.956 1.00 0.00 C ATOM 1335 C SER A 87 3.831 2.770 -7.680 1.00 0.00 C ATOM 1336 O SER A 87 3.696 3.979 -7.859 1.00 0.00 O ATOM 1337 CB SER A 87 5.964 1.470 -7.935 1.00 0.00 C ATOM 1338 OG SER A 87 7.335 1.524 -7.550 1.00 0.00 O ATOM 0 H SER A 87 4.980 0.405 -5.922 1.00 0.00 H new ATOM 0 HA SER A 87 5.636 3.059 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.644 0.430 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.851 1.894 -8.933 1.00 0.00 H new ATOM 0 HG SER A 87 7.877 1.029 -8.199 1.00 0.00 H new ATOM 1344 N LEU A 88 2.963 1.851 -8.077 1.00 0.00 N ATOM 1345 CA LEU A 88 1.746 2.224 -8.778 1.00 0.00 C ATOM 1346 C LEU A 88 1.085 3.399 -8.053 1.00 0.00 C ATOM 1347 O LEU A 88 0.716 4.390 -8.680 1.00 0.00 O ATOM 1348 CB LEU A 88 0.830 1.010 -8.944 1.00 0.00 C ATOM 1349 CG LEU A 88 0.551 0.573 -10.383 1.00 0.00 C ATOM 1350 CD1 LEU A 88 1.181 -0.791 -10.673 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -0.950 0.586 -10.679 1.00 0.00 C ATOM 0 H LEU A 88 3.078 0.849 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 88 1.976 2.561 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.273 0.170 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.122 1.229 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 88 1.017 1.293 -11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.968 -1.079 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.260 -0.732 -10.529 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.765 -1.536 -9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.121 0.271 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.460 -0.098 -10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.340 1.594 -10.538 1.00 0.00 H new ATOM 1363 N MET A 89 0.957 3.248 -6.743 1.00 0.00 N ATOM 1364 CA MET A 89 0.347 4.283 -5.926 1.00 0.00 C ATOM 1365 C MET A 89 1.080 5.616 -6.094 1.00 0.00 C ATOM 1366 O MET A 89 0.474 6.620 -6.462 1.00 0.00 O ATOM 1367 CB MET A 89 0.383 3.862 -4.456 1.00 0.00 C ATOM 1368 CG MET A 89 -0.372 4.863 -3.580 1.00 0.00 C ATOM 1369 SD MET A 89 -1.910 4.149 -3.023 1.00 0.00 S ATOM 1370 CE MET A 89 -1.507 3.839 -1.313 1.00 0.00 C ATOM 0 H MET A 89 1.266 2.424 -6.227 1.00 0.00 H new ATOM 0 HA MET A 89 -0.686 4.414 -6.250 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.059 2.872 -4.347 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.417 3.788 -4.121 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.240 5.142 -2.723 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.568 5.776 -4.143 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.365 3.390 -0.813 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.657 3.159 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.252 4.779 -0.823 1.00 0.00 H new ATOM 1380 N MET A 90 2.375 5.582 -5.814 1.00 0.00 N ATOM 1381 CA MET A 90 3.197 6.774 -5.929 1.00 0.00 C ATOM 1382 C MET A 90 2.979 7.463 -7.278 1.00 0.00 C ATOM 1383 O MET A 90 2.647 8.646 -7.328 1.00 0.00 O ATOM 1384 CB MET A 90 4.672 6.394 -5.783 1.00 0.00 C ATOM 1385 CG MET A 90 5.366 7.279 -4.746 1.00 0.00 C ATOM 1386 SD MET A 90 6.412 8.472 -5.564 1.00 0.00 S ATOM 1387 CE MET A 90 7.756 7.412 -6.069 1.00 0.00 C ATOM 0 H MET A 90 2.875 4.747 -5.508 1.00 0.00 H new ATOM 0 HA MET A 90 2.911 7.467 -5.138 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.754 5.348 -5.487 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.174 6.493 -6.745 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.622 7.792 -4.137 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.961 6.664 -4.071 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.699 7.951 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.781 6.528 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.610 7.108 -7.106 1.00 0.00 H new ATOM 1397 N ILE A 91 3.174 6.693 -8.338 1.00 0.00 N ATOM 1398 CA ILE A 91 3.002 7.214 -9.683 1.00 0.00 C ATOM 1399 C ILE A 91 1.672 7.965 -9.769 1.00 0.00 C ATOM 1400 O ILE A 91 1.650 9.168 -10.026 1.00 0.00 O ATOM 1401 CB ILE A 91 3.143 6.092 -10.714 1.00 0.00 C ATOM 1402 CG1 ILE A 91 4.565 5.529 -10.722 1.00 0.00 C ATOM 1403 CG2 ILE A 91 2.706 6.566 -12.102 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.629 4.211 -11.496 1.00 0.00 C ATOM 0 H ILE A 91 3.450 5.712 -8.293 1.00 0.00 H new ATOM 0 HA ILE A 91 3.789 7.931 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 91 2.477 5.278 -10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.244 6.253 -11.173 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.903 5.370 -9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.816 5.750 -12.816 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.663 6.880 -12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.328 7.406 -12.412 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.651 3.833 -11.486 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.967 3.482 -11.028 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.314 4.378 -12.526 1.00 0.00 H new ATOM 1416 N LEU A 92 0.596 7.225 -9.548 1.00 0.00 N ATOM 1417 CA LEU A 92 -0.735 7.806 -9.597 1.00 0.00 C ATOM 1418 C LEU A 92 -0.780 9.042 -8.697 1.00 0.00 C ATOM 1419 O LEU A 92 -1.536 9.977 -8.958 1.00 0.00 O ATOM 1420 CB LEU A 92 -1.792 6.755 -9.252 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.154 6.926 -9.927 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.352 5.887 -11.032 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.285 6.890 -8.897 1.00 0.00 C ATOM 0 H LEU A 92 0.618 6.228 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.969 8.139 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.399 5.773 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.941 6.759 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.180 7.908 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.328 6.031 -11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.572 6.003 -11.785 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.297 4.886 -10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.242 7.014 -9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.272 5.933 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.148 7.697 -8.178 1.00 0.00 H new ATOM 1435 N ARG A 93 0.039 9.008 -7.656 1.00 0.00 N ATOM 1436 CA ARG A 93 0.102 10.114 -6.716 1.00 0.00 C ATOM 1437 C ARG A 93 0.645 11.367 -7.406 1.00 0.00 C ATOM 1438 O ARG A 93 0.140 12.467 -7.190 1.00 0.00 O ATOM 1439 CB ARG A 93 0.994 9.771 -5.521 1.00 0.00 C ATOM 1440 CG ARG A 93 0.288 10.089 -4.201 1.00 0.00 C ATOM 1441 CD ARG A 93 0.896 11.327 -3.539 1.00 0.00 C ATOM 1442 NE ARG A 93 0.079 12.521 -3.851 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.151 12.737 -3.366 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.714 11.841 -2.544 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -1.818 13.849 -3.703 1.00 0.00 N ATOM 0 H ARG A 93 0.665 8.231 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.910 10.302 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.258 8.714 -5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.925 10.334 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.774 10.254 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.367 9.236 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.948 11.184 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.917 11.473 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 93 0.477 13.223 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.206 10.994 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.650 12.006 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.389 14.531 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.754 14.014 -3.334 1.00 0.00 H new ATOM 1459 N LEU A 94 1.666 11.158 -8.223 1.00 0.00 N ATOM 1460 CA LEU A 94 2.283 12.256 -8.947 1.00 0.00 C ATOM 1461 C LEU A 94 1.193 13.104 -9.605 1.00 0.00 C ATOM 1462 O LEU A 94 0.882 14.197 -9.133 1.00 0.00 O ATOM 1463 CB LEU A 94 3.330 11.730 -9.930 1.00 0.00 C ATOM 1464 CG LEU A 94 4.618 12.549 -10.042 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.318 13.985 -10.476 1.00 0.00 C ATOM 1466 CD2 LEU A 94 5.414 12.499 -8.736 1.00 0.00 C ATOM 0 H LEU A 94 2.082 10.244 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 94 2.824 12.908 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.594 10.713 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.874 11.671 -10.918 1.00 0.00 H new ATOM 0 HG LEU A 94 5.241 12.102 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.250 14.546 -10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.824 13.976 -11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.666 14.458 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.324 13.089 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.810 12.907 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.676 11.466 -8.509 1.00 0.00 H new ATOM 1478 N VAL A 95 0.642 12.569 -10.684 1.00 0.00 N ATOM 1479 CA VAL A 95 -0.407 13.262 -11.412 1.00 0.00 C ATOM 1480 C VAL A 95 -1.442 13.797 -10.420 1.00 0.00 C ATOM 1481 O VAL A 95 -1.971 14.893 -10.599 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.013 12.335 -12.467 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -1.463 11.013 -11.841 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.172 13.018 -13.196 1.00 0.00 C ATOM 0 H VAL A 95 0.903 11.662 -11.072 1.00 0.00 H new ATOM 0 HA VAL A 95 0.002 14.118 -11.949 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.239 12.112 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.890 10.372 -12.612 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.606 10.514 -11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.214 11.210 -11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.585 12.338 -13.941 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.947 13.284 -12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.810 13.920 -13.690 1.00 0.00 H new ATOM 1494 N LEU A 96 -1.700 12.998 -9.395 1.00 0.00 N ATOM 1495 CA LEU A 96 -2.662 13.377 -8.374 1.00 0.00 C ATOM 1496 C LEU A 96 -2.387 14.814 -7.929 1.00 0.00 C ATOM 1497 O LEU A 96 -3.317 15.568 -7.644 1.00 0.00 O ATOM 1498 CB LEU A 96 -2.652 12.365 -7.227 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.007 11.758 -6.856 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -3.923 10.232 -6.781 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.544 12.367 -5.558 1.00 0.00 C ATOM 0 H LEU A 96 -1.259 12.090 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.674 13.356 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.973 11.554 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.240 12.852 -6.343 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.718 12.003 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.899 9.826 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.617 9.836 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.193 9.945 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.508 11.918 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.841 12.174 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.666 13.443 -5.684 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.107 15.151 -7.882 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.698 16.485 -7.476 1.00 0.00 C ATOM 1515 C LEU A 97 -1.658 17.513 -8.077 1.00 0.00 C ATOM 1516 O LEU A 97 -2.085 18.442 -7.393 1.00 0.00 O ATOM 1517 CB LEU A 97 0.769 16.729 -7.837 1.00 0.00 C ATOM 1518 CG LEU A 97 1.478 17.835 -7.053 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.993 17.625 -7.058 1.00 0.00 C ATOM 1520 CD2 LEU A 97 1.089 19.217 -7.582 1.00 0.00 C ATOM 0 H LEU A 97 -0.339 14.523 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.757 16.588 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.318 15.799 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.826 16.970 -8.899 1.00 0.00 H new ATOM 0 HG LEU A 97 1.149 17.783 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.473 18.425 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.229 16.665 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.358 17.635 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.607 19.985 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.371 19.297 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.012 19.354 -7.484 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.970 17.311 -9.349 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.873 18.209 -10.049 1.00 0.00 C ATOM 1534 C LEU A 98 -4.304 17.967 -9.566 1.00 0.00 C ATOM 1535 O LEU A 98 -5.028 18.913 -9.258 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.702 18.067 -11.563 1.00 0.00 C ATOM 1537 CG LEU A 98 -1.818 19.116 -12.240 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -0.359 18.658 -12.282 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -2.350 19.465 -13.632 1.00 0.00 C ATOM 0 H LEU A 98 -1.614 16.539 -9.913 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.631 19.247 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.286 17.081 -11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.689 18.100 -12.025 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.852 20.028 -11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.248 19.422 -12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.002 18.500 -11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.286 17.726 -12.842 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.704 20.213 -14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.365 18.568 -14.251 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.361 19.863 -13.546 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.669 16.694 -9.513 1.00 0.00 N ATOM 1552 CA LEU A 99 -6.001 16.315 -9.072 1.00 0.00 C ATOM 1553 C LEU A 99 -6.322 17.032 -7.760 1.00 0.00 C ATOM 1554 O LEU A 99 -7.283 17.796 -7.684 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.124 14.793 -8.988 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.381 14.186 -9.615 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.391 14.392 -11.131 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -7.525 12.710 -9.236 1.00 0.00 C ATOM 0 H LEU A 99 -4.066 15.912 -9.768 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.748 16.632 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.252 14.351 -9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.089 14.503 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.250 14.708 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.295 13.951 -11.552 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.370 15.459 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.516 13.913 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.426 12.303 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.656 12.157 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.596 12.618 -8.152 1.00 0.00 H new