USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 556 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 10 TYR OH : rot -101:sc= 0.00201 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.0638 (180deg=-0.599) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -124:sc= -2.37! (180deg=-5.44!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.64) USER MOD Single : A 51 THR OG1 : rot 108:sc= 0.895 USER MOD Single : A 52 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.16) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.011) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 9 -1.045 -24.789 -3.323 1.00 0.00 N ATOM 131 CA LEU A 9 -1.961 -23.931 -4.053 1.00 0.00 C ATOM 132 C LEU A 9 -2.005 -22.555 -3.386 1.00 0.00 C ATOM 133 O LEU A 9 -1.603 -21.558 -3.984 1.00 0.00 O ATOM 134 CB LEU A 9 -3.332 -24.597 -4.180 1.00 0.00 C ATOM 135 CG LEU A 9 -4.056 -24.395 -5.513 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.626 -25.449 -6.535 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.573 -24.372 -5.317 1.00 0.00 C ATOM 0 HA LEU A 9 -1.610 -23.780 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.210 -25.667 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.972 -24.221 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.769 -23.422 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.155 -25.283 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.552 -25.374 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.864 -26.443 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.062 -24.227 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.898 -25.318 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.841 -23.555 -4.647 1.00 0.00 H new ATOM 149 N TYR A 10 -2.497 -22.544 -2.156 1.00 0.00 N ATOM 150 CA TYR A 10 -2.599 -21.306 -1.402 1.00 0.00 C ATOM 151 C TYR A 10 -1.389 -20.405 -1.659 1.00 0.00 C ATOM 152 O TYR A 10 -1.541 -19.266 -2.094 1.00 0.00 O ATOM 153 CB TYR A 10 -2.614 -21.712 0.074 1.00 0.00 C ATOM 154 CG TYR A 10 -2.566 -20.530 1.044 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.354 -19.958 1.375 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.734 -20.036 1.588 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.308 -18.846 2.289 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.688 -18.924 2.502 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.477 -18.384 2.807 1.00 0.00 C ATOM 160 OH TYR A 10 -2.435 -17.333 3.670 1.00 0.00 O ATOM 0 H TYR A 10 -2.829 -23.373 -1.663 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.491 -20.752 -1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.514 -22.294 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.763 -22.364 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.440 -20.344 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.682 -20.483 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.367 -18.390 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.594 -18.528 2.936 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.526 -17.661 4.589 1.00 0.00 H new ATOM 170 N MET A 11 -0.216 -20.953 -1.380 1.00 0.00 N ATOM 171 CA MET A 11 1.020 -20.213 -1.576 1.00 0.00 C ATOM 172 C MET A 11 1.024 -19.500 -2.930 1.00 0.00 C ATOM 173 O MET A 11 1.310 -18.306 -3.006 1.00 0.00 O ATOM 174 CB MET A 11 2.208 -21.175 -1.502 1.00 0.00 C ATOM 175 CG MET A 11 3.468 -20.454 -1.022 1.00 0.00 C ATOM 176 SD MET A 11 4.759 -21.639 -0.685 1.00 0.00 S ATOM 177 CE MET A 11 5.042 -22.265 -2.333 1.00 0.00 C ATOM 0 H MET A 11 -0.095 -21.900 -1.020 1.00 0.00 H new ATOM 0 HA MET A 11 1.100 -19.461 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.974 -21.996 -0.824 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.387 -21.613 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.802 -19.745 -1.780 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.247 -19.879 -0.123 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.024 -22.735 -2.380 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.276 -23.000 -2.580 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.999 -21.443 -3.047 1.00 0.00 H new ATOM 187 N ALA A 12 0.701 -20.262 -3.964 1.00 0.00 N ATOM 188 CA ALA A 12 0.663 -19.717 -5.311 1.00 0.00 C ATOM 189 C ALA A 12 -0.307 -18.535 -5.351 1.00 0.00 C ATOM 190 O ALA A 12 -0.075 -17.561 -6.067 1.00 0.00 O ATOM 191 CB ALA A 12 0.278 -20.821 -6.298 1.00 0.00 C ATOM 0 H ALA A 12 0.463 -21.252 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 12 1.646 -19.347 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.249 -20.412 -7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.014 -21.623 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.705 -21.215 -6.038 1.00 0.00 H new ATOM 197 N ALA A 13 -1.373 -18.658 -4.574 1.00 0.00 N ATOM 198 CA ALA A 13 -2.379 -17.611 -4.512 1.00 0.00 C ATOM 199 C ALA A 13 -1.812 -16.409 -3.754 1.00 0.00 C ATOM 200 O ALA A 13 -1.523 -15.374 -4.353 1.00 0.00 O ATOM 201 CB ALA A 13 -3.650 -18.163 -3.863 1.00 0.00 C ATOM 0 H ALA A 13 -1.562 -19.467 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.644 -17.273 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.405 -17.378 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.029 -18.996 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.423 -18.509 -2.854 1.00 0.00 H new ATOM 207 N ALA A 14 -1.669 -16.587 -2.449 1.00 0.00 N ATOM 208 CA ALA A 14 -1.141 -15.529 -1.604 1.00 0.00 C ATOM 209 C ALA A 14 0.034 -14.853 -2.314 1.00 0.00 C ATOM 210 O ALA A 14 -0.022 -13.664 -2.618 1.00 0.00 O ATOM 211 CB ALA A 14 -0.746 -16.110 -0.245 1.00 0.00 C ATOM 0 H ALA A 14 -1.909 -17.447 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.899 -14.767 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.350 -15.316 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.622 -16.551 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.016 -16.877 -0.385 1.00 0.00 H new ATOM 217 N VAL A 15 1.071 -15.642 -2.555 1.00 0.00 N ATOM 218 CA VAL A 15 2.257 -15.135 -3.223 1.00 0.00 C ATOM 219 C VAL A 15 1.837 -14.224 -4.379 1.00 0.00 C ATOM 220 O VAL A 15 2.281 -13.081 -4.465 1.00 0.00 O ATOM 221 CB VAL A 15 3.144 -16.299 -3.670 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.291 -15.806 -4.555 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.676 -17.077 -2.466 1.00 0.00 C ATOM 0 H VAL A 15 1.114 -16.629 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 15 2.854 -14.534 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 15 2.531 -16.978 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.906 -16.653 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.884 -15.317 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.902 -15.096 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.303 -17.899 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.265 -16.412 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.840 -17.476 -1.892 1.00 0.00 H new ATOM 233 N MET A 16 0.986 -14.767 -5.237 1.00 0.00 N ATOM 234 CA MET A 16 0.502 -14.017 -6.384 1.00 0.00 C ATOM 235 C MET A 16 -0.144 -12.700 -5.946 1.00 0.00 C ATOM 236 O MET A 16 0.065 -11.664 -6.573 1.00 0.00 O ATOM 237 CB MET A 16 -0.523 -14.859 -7.147 1.00 0.00 C ATOM 238 CG MET A 16 0.132 -15.585 -8.323 1.00 0.00 C ATOM 239 SD MET A 16 -0.490 -14.936 -9.865 1.00 0.00 S ATOM 240 CE MET A 16 0.779 -13.734 -10.228 1.00 0.00 C ATOM 0 H MET A 16 0.620 -15.716 -5.161 1.00 0.00 H new ATOM 0 HA MET A 16 1.350 -13.787 -7.029 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.976 -15.586 -6.473 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.326 -14.219 -7.512 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.214 -15.464 -8.278 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.072 -16.654 -8.260 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.546 -13.231 -11.167 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.825 -12.999 -9.424 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.742 -14.237 -10.315 1.00 0.00 H new ATOM 250 N MET A 17 -0.915 -12.785 -4.871 1.00 0.00 N ATOM 251 CA MET A 17 -1.592 -11.613 -4.342 1.00 0.00 C ATOM 252 C MET A 17 -0.582 -10.578 -3.840 1.00 0.00 C ATOM 253 O MET A 17 -0.512 -9.469 -4.367 1.00 0.00 O ATOM 254 CB MET A 17 -2.509 -12.030 -3.192 1.00 0.00 C ATOM 255 CG MET A 17 -3.686 -12.865 -3.704 1.00 0.00 C ATOM 256 SD MET A 17 -4.579 -13.571 -2.329 1.00 0.00 S ATOM 257 CE MET A 17 -4.939 -15.189 -2.990 1.00 0.00 C ATOM 0 H MET A 17 -1.086 -13.647 -4.353 1.00 0.00 H new ATOM 0 HA MET A 17 -2.179 -11.163 -5.142 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.942 -12.605 -2.460 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.883 -11.143 -2.680 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.353 -12.241 -4.299 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.323 -13.658 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.015 -15.363 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.590 -15.247 -4.021 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.433 -15.947 -2.392 1.00 0.00 H new ATOM 267 N GLY A 18 0.172 -10.976 -2.826 1.00 0.00 N ATOM 268 CA GLY A 18 1.174 -10.097 -2.248 1.00 0.00 C ATOM 269 C GLY A 18 1.946 -9.352 -3.339 1.00 0.00 C ATOM 270 O GLY A 18 2.206 -8.156 -3.214 1.00 0.00 O ATOM 0 H GLY A 18 0.109 -11.896 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.693 -9.379 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.867 -10.679 -1.641 1.00 0.00 H new ATOM 274 N LEU A 19 2.290 -10.090 -4.384 1.00 0.00 N ATOM 275 CA LEU A 19 3.027 -9.514 -5.496 1.00 0.00 C ATOM 276 C LEU A 19 2.225 -8.355 -6.089 1.00 0.00 C ATOM 277 O LEU A 19 2.601 -7.193 -5.937 1.00 0.00 O ATOM 278 CB LEU A 19 3.389 -10.596 -6.515 1.00 0.00 C ATOM 279 CG LEU A 19 4.761 -11.251 -6.341 1.00 0.00 C ATOM 280 CD1 LEU A 19 4.809 -12.089 -5.061 1.00 0.00 C ATOM 281 CD2 LEU A 19 5.139 -12.070 -7.576 1.00 0.00 C ATOM 0 H LEU A 19 2.072 -11.081 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 19 3.975 -9.102 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.628 -11.376 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.342 -10.158 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 19 5.506 -10.462 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.794 -12.544 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.615 -11.449 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.052 -12.871 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.118 -12.524 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.397 -12.852 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.172 -11.418 -8.449 1.00 0.00 H new ATOM 293 N ALA A 20 1.133 -8.709 -6.751 1.00 0.00 N ATOM 294 CA ALA A 20 0.273 -7.713 -7.367 1.00 0.00 C ATOM 295 C ALA A 20 0.071 -6.550 -6.395 1.00 0.00 C ATOM 296 O ALA A 20 0.418 -5.410 -6.703 1.00 0.00 O ATOM 297 CB ALA A 20 -1.047 -8.363 -7.782 1.00 0.00 C ATOM 0 H ALA A 20 0.824 -9.673 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 20 0.735 -7.312 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.691 -7.615 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.850 -9.163 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.542 -8.775 -6.903 1.00 0.00 H new ATOM 303 N ALA A 21 -0.490 -6.876 -5.239 1.00 0.00 N ATOM 304 CA ALA A 21 -0.742 -5.873 -4.220 1.00 0.00 C ATOM 305 C ALA A 21 0.465 -4.937 -4.120 1.00 0.00 C ATOM 306 O ALA A 21 0.321 -3.721 -4.231 1.00 0.00 O ATOM 307 CB ALA A 21 -1.055 -6.563 -2.890 1.00 0.00 C ATOM 0 H ALA A 21 -0.777 -7.822 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.608 -5.267 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.244 -5.810 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.937 -7.193 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.207 -7.179 -2.591 1.00 0.00 H new ATOM 313 N ILE A 22 1.626 -5.540 -3.912 1.00 0.00 N ATOM 314 CA ILE A 22 2.856 -4.777 -3.798 1.00 0.00 C ATOM 315 C ILE A 22 2.977 -3.829 -4.994 1.00 0.00 C ATOM 316 O ILE A 22 3.305 -2.655 -4.829 1.00 0.00 O ATOM 317 CB ILE A 22 4.055 -5.712 -3.631 1.00 0.00 C ATOM 318 CG1 ILE A 22 4.005 -6.432 -2.282 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.371 -4.959 -3.831 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.643 -7.819 -2.376 1.00 0.00 C ATOM 0 H ILE A 22 1.740 -6.549 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 22 2.837 -4.158 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 22 4.002 -6.477 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.525 -5.839 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.970 -6.526 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.207 -5.648 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.398 -4.533 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.448 -4.159 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.594 -8.309 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.105 -8.418 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.685 -7.720 -2.680 1.00 0.00 H new ATOM 332 N GLY A 23 2.705 -4.375 -6.170 1.00 0.00 N ATOM 333 CA GLY A 23 2.779 -3.594 -7.393 1.00 0.00 C ATOM 334 C GLY A 23 2.024 -2.271 -7.245 1.00 0.00 C ATOM 335 O GLY A 23 2.626 -1.200 -7.294 1.00 0.00 O ATOM 0 H GLY A 23 2.433 -5.349 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.822 -3.396 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.359 -4.166 -8.220 1.00 0.00 H new ATOM 339 N ASP A 24 0.717 -2.390 -7.067 1.00 0.00 N ATOM 340 CA ASP A 24 -0.127 -1.217 -6.911 1.00 0.00 C ATOM 341 C ASP A 24 0.393 -0.371 -5.747 1.00 0.00 C ATOM 342 O ASP A 24 0.778 0.781 -5.936 1.00 0.00 O ATOM 343 CB ASP A 24 -1.571 -1.615 -6.599 1.00 0.00 C ATOM 344 CG ASP A 24 -2.635 -0.642 -7.110 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.769 0.482 -6.603 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.354 -1.082 -8.086 1.00 0.00 O ATOM 0 H ASP A 24 0.221 -3.281 -7.027 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.102 -0.656 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.762 -2.598 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.679 -1.714 -5.519 1.00 0.00 H new ATOM 352 N ALA A 25 0.385 -0.977 -4.568 1.00 0.00 N ATOM 353 CA ALA A 25 0.850 -0.293 -3.372 1.00 0.00 C ATOM 354 C ALA A 25 2.114 0.501 -3.705 1.00 0.00 C ATOM 355 O ALA A 25 2.394 1.522 -3.077 1.00 0.00 O ATOM 356 CB ALA A 25 1.079 -1.314 -2.257 1.00 0.00 C ATOM 0 H ALA A 25 0.064 -1.933 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 25 0.100 0.414 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.428 -0.802 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.144 -1.831 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.829 -2.038 -2.575 1.00 0.00 H new ATOM 362 N ILE A 26 2.846 0.002 -4.691 1.00 0.00 N ATOM 363 CA ILE A 26 4.075 0.653 -5.113 1.00 0.00 C ATOM 364 C ILE A 26 3.733 1.845 -6.011 1.00 0.00 C ATOM 365 O ILE A 26 4.216 2.954 -5.786 1.00 0.00 O ATOM 366 CB ILE A 26 5.019 -0.357 -5.766 1.00 0.00 C ATOM 367 CG1 ILE A 26 6.081 -0.837 -4.774 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.643 0.218 -7.040 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.376 -1.212 -5.497 1.00 0.00 C ATOM 0 H ILE A 26 2.612 -0.845 -5.209 1.00 0.00 H new ATOM 0 HA ILE A 26 4.613 1.046 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 26 4.435 -1.229 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.282 -0.054 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.706 -1.699 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.310 -0.521 -7.484 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.855 0.469 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.209 1.116 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.114 -1.550 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.176 -2.012 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.762 -0.342 -6.028 1.00 0.00 H new ATOM 381 N GLY A 27 2.904 1.575 -7.008 1.00 0.00 N ATOM 382 CA GLY A 27 2.492 2.610 -7.940 1.00 0.00 C ATOM 383 C GLY A 27 2.337 3.957 -7.230 1.00 0.00 C ATOM 384 O GLY A 27 2.787 4.985 -7.735 1.00 0.00 O ATOM 0 H GLY A 27 2.506 0.654 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.228 2.699 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.547 2.330 -8.406 1.00 0.00 H new ATOM 388 N ILE A 28 1.699 3.908 -6.070 1.00 0.00 N ATOM 389 CA ILE A 28 1.479 5.111 -5.285 1.00 0.00 C ATOM 390 C ILE A 28 2.783 5.508 -4.591 1.00 0.00 C ATOM 391 O ILE A 28 3.202 6.662 -4.662 1.00 0.00 O ATOM 392 CB ILE A 28 0.304 4.916 -4.324 1.00 0.00 C ATOM 393 CG1 ILE A 28 -0.675 3.869 -4.860 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.386 6.248 -4.026 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.442 2.511 -4.196 1.00 0.00 C ATOM 0 H ILE A 28 1.327 3.054 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 28 1.197 5.942 -5.932 1.00 0.00 H new ATOM 0 HB ILE A 28 0.694 4.537 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.699 4.196 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.558 3.775 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.217 6.082 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.328 6.934 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.761 6.679 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.151 1.785 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.575 2.176 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.584 2.603 -3.119 1.00 0.00 H new ATOM 407 N GLY A 29 3.388 4.529 -3.935 1.00 0.00 N ATOM 408 CA GLY A 29 4.636 4.761 -3.228 1.00 0.00 C ATOM 409 C GLY A 29 5.609 5.573 -4.085 1.00 0.00 C ATOM 410 O GLY A 29 6.158 6.574 -3.627 1.00 0.00 O ATOM 0 H GLY A 29 3.037 3.573 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.437 5.291 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.090 3.807 -2.961 1.00 0.00 H new ATOM 414 N ILE A 30 5.792 5.113 -5.314 1.00 0.00 N ATOM 415 CA ILE A 30 6.688 5.784 -6.240 1.00 0.00 C ATOM 416 C ILE A 30 6.086 7.133 -6.638 1.00 0.00 C ATOM 417 O ILE A 30 6.814 8.090 -6.896 1.00 0.00 O ATOM 418 CB ILE A 30 7.008 4.876 -7.429 1.00 0.00 C ATOM 419 CG1 ILE A 30 8.212 3.983 -7.129 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.206 5.696 -8.706 1.00 0.00 C ATOM 421 CD1 ILE A 30 7.878 2.959 -6.042 1.00 0.00 C ATOM 0 H ILE A 30 5.334 4.283 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 30 7.645 5.992 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 30 6.155 4.219 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.521 3.466 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.054 4.597 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.432 5.027 -9.536 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.295 6.252 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.032 6.393 -8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.751 2.337 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.592 3.479 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.052 2.331 -6.375 1.00 0.00 H new ATOM 433 N LEU A 31 4.762 7.165 -6.676 1.00 0.00 N ATOM 434 CA LEU A 31 4.053 8.381 -7.040 1.00 0.00 C ATOM 435 C LEU A 31 4.385 9.481 -6.030 1.00 0.00 C ATOM 436 O LEU A 31 4.549 10.642 -6.402 1.00 0.00 O ATOM 437 CB LEU A 31 2.554 8.106 -7.180 1.00 0.00 C ATOM 438 CG LEU A 31 1.903 8.588 -8.478 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.492 8.016 -8.627 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.913 10.115 -8.562 1.00 0.00 C ATOM 0 H LEU A 31 4.161 6.369 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 31 4.381 8.735 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.392 7.032 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.039 8.575 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 31 2.493 8.216 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.051 8.374 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.541 6.927 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.122 8.339 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.445 10.431 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.360 10.529 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.942 10.474 -8.533 1.00 0.00 H new ATOM 452 N GLY A 32 4.474 9.077 -4.771 1.00 0.00 N ATOM 453 CA GLY A 32 4.784 10.014 -3.705 1.00 0.00 C ATOM 454 C GLY A 32 6.060 10.798 -4.016 1.00 0.00 C ATOM 455 O GLY A 32 6.150 11.988 -3.719 1.00 0.00 O ATOM 0 H GLY A 32 4.337 8.114 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.952 10.705 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.905 9.474 -2.766 1.00 0.00 H new ATOM 459 N GLY A 33 7.015 10.098 -4.611 1.00 0.00 N ATOM 460 CA GLY A 33 8.282 10.713 -4.967 1.00 0.00 C ATOM 461 C GLY A 33 8.186 11.426 -6.317 1.00 0.00 C ATOM 462 O GLY A 33 8.844 12.443 -6.535 1.00 0.00 O ATOM 0 H GLY A 33 6.936 9.111 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.574 11.426 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.061 9.952 -5.009 1.00 0.00 H new ATOM 466 N LYS A 34 7.362 10.865 -7.189 1.00 0.00 N ATOM 467 CA LYS A 34 7.171 11.434 -8.512 1.00 0.00 C ATOM 468 C LYS A 34 6.268 12.665 -8.408 1.00 0.00 C ATOM 469 O LYS A 34 5.999 13.329 -9.409 1.00 0.00 O ATOM 470 CB LYS A 34 6.652 10.372 -9.483 1.00 0.00 C ATOM 471 CG LYS A 34 7.311 10.515 -10.857 1.00 0.00 C ATOM 472 CD LYS A 34 6.269 10.826 -11.934 1.00 0.00 C ATOM 473 CE LYS A 34 5.911 9.568 -12.729 1.00 0.00 C ATOM 474 NZ LYS A 34 4.659 9.776 -13.490 1.00 0.00 N ATOM 0 H LYS A 34 6.819 10.022 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 34 8.123 11.770 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.852 9.379 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.570 10.463 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.056 11.310 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.837 9.595 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.372 11.235 -11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.655 11.590 -12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.722 9.319 -13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.795 8.722 -12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.430 8.913 -14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.884 9.991 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.782 10.570 -14.151 1.00 0.00 H new ATOM 488 N PHE A 35 5.825 12.933 -7.189 1.00 0.00 N ATOM 489 CA PHE A 35 4.959 14.073 -6.941 1.00 0.00 C ATOM 490 C PHE A 35 5.775 15.314 -6.576 1.00 0.00 C ATOM 491 O PHE A 35 5.381 16.435 -6.889 1.00 0.00 O ATOM 492 CB PHE A 35 4.060 13.703 -5.760 1.00 0.00 C ATOM 493 CG PHE A 35 2.712 14.426 -5.752 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.975 14.505 -6.892 1.00 0.00 C ATOM 495 CD2 PHE A 35 2.250 14.991 -4.605 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.725 15.177 -6.886 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.999 15.663 -4.597 1.00 0.00 C ATOM 498 CZ PHE A 35 0.263 15.741 -5.738 1.00 0.00 C ATOM 0 H PHE A 35 6.050 12.380 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 35 4.381 14.302 -7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.883 12.627 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.586 13.927 -4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.341 14.056 -7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.835 14.929 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.141 15.240 -7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.632 16.112 -3.686 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.689 16.251 -5.732 1.00 0.00 H new ATOM 508 N LEU A 36 6.899 15.070 -5.917 1.00 0.00 N ATOM 509 CA LEU A 36 7.775 16.154 -5.506 1.00 0.00 C ATOM 510 C LEU A 36 7.835 17.206 -6.616 1.00 0.00 C ATOM 511 O LEU A 36 7.952 18.398 -6.341 1.00 0.00 O ATOM 512 CB LEU A 36 9.146 15.610 -5.100 1.00 0.00 C ATOM 513 CG LEU A 36 9.799 16.274 -3.886 1.00 0.00 C ATOM 514 CD1 LEU A 36 11.206 15.723 -3.650 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.796 17.798 -4.027 1.00 0.00 C ATOM 0 H LEU A 36 7.223 14.138 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 36 7.378 16.648 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.046 14.544 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.821 15.710 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 36 9.206 16.031 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.647 16.212 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.151 14.649 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.824 15.915 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.266 18.245 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.351 18.082 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.769 18.154 -4.109 1.00 0.00 H new ATOM 527 N GLU A 37 7.751 16.724 -7.848 1.00 0.00 N ATOM 528 CA GLU A 37 7.794 17.607 -9.001 1.00 0.00 C ATOM 529 C GLU A 37 6.384 17.837 -9.546 1.00 0.00 C ATOM 530 O GLU A 37 6.011 18.968 -9.858 1.00 0.00 O ATOM 531 CB GLU A 37 8.717 17.048 -10.085 1.00 0.00 C ATOM 532 CG GLU A 37 9.814 18.052 -10.443 1.00 0.00 C ATOM 533 CD GLU A 37 10.841 17.429 -11.390 1.00 0.00 C ATOM 534 OE1 GLU A 37 11.870 16.908 -10.933 1.00 0.00 O ATOM 535 OE2 GLU A 37 10.540 17.498 -12.643 1.00 0.00 O ATOM 0 H GLU A 37 7.653 15.734 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 37 8.201 18.567 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.169 16.118 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.135 16.808 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.369 18.930 -10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.311 18.392 -9.534 1.00 0.00 H new ATOM 543 N GLY A 38 5.636 16.747 -9.645 1.00 0.00 N ATOM 544 CA GLY A 38 4.275 16.817 -10.148 1.00 0.00 C ATOM 545 C GLY A 38 3.464 17.872 -9.392 1.00 0.00 C ATOM 546 O GLY A 38 2.482 18.396 -9.915 1.00 0.00 O ATOM 0 H GLY A 38 5.947 15.811 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.288 17.057 -11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.796 15.843 -10.047 1.00 0.00 H new ATOM 550 N ALA A 39 3.907 18.153 -8.176 1.00 0.00 N ATOM 551 CA ALA A 39 3.235 19.137 -7.344 1.00 0.00 C ATOM 552 C ALA A 39 3.940 20.487 -7.489 1.00 0.00 C ATOM 553 O ALA A 39 3.333 21.535 -7.271 1.00 0.00 O ATOM 554 CB ALA A 39 3.207 18.647 -5.895 1.00 0.00 C ATOM 0 H ALA A 39 4.723 17.717 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 39 2.201 19.268 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.703 19.385 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.671 17.700 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.227 18.507 -5.539 1.00 0.00 H new ATOM 560 N ALA A 40 5.211 20.419 -7.855 1.00 0.00 N ATOM 561 CA ALA A 40 6.006 21.623 -8.032 1.00 0.00 C ATOM 562 C ALA A 40 5.248 22.600 -8.933 1.00 0.00 C ATOM 563 O ALA A 40 5.414 23.813 -8.817 1.00 0.00 O ATOM 564 CB ALA A 40 7.378 21.252 -8.597 1.00 0.00 C ATOM 0 H ALA A 40 5.711 19.548 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 40 6.172 22.118 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.973 22.155 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.887 20.580 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.253 20.756 -9.559 1.00 0.00 H new ATOM 570 N ARG A 41 4.433 22.035 -9.812 1.00 0.00 N ATOM 571 CA ARG A 41 3.650 22.842 -10.732 1.00 0.00 C ATOM 572 C ARG A 41 2.872 23.915 -9.968 1.00 0.00 C ATOM 573 O ARG A 41 2.688 25.025 -10.464 1.00 0.00 O ATOM 574 CB ARG A 41 2.669 21.976 -11.525 1.00 0.00 C ATOM 575 CG ARG A 41 3.254 21.586 -12.883 1.00 0.00 C ATOM 576 CD ARG A 41 3.580 20.092 -12.932 1.00 0.00 C ATOM 577 NE ARG A 41 4.733 19.854 -13.829 1.00 0.00 N ATOM 578 CZ ARG A 41 6.010 20.162 -13.518 1.00 0.00 C ATOM 579 NH1 ARG A 41 6.309 20.724 -12.327 1.00 0.00 N ATOM 580 NH2 ARG A 41 6.962 19.906 -14.396 1.00 0.00 N ATOM 0 H ARG A 41 4.298 21.028 -9.906 1.00 0.00 H new ATOM 0 HA ARG A 41 4.341 23.318 -11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.431 21.077 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.735 22.519 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.545 21.833 -13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.157 22.165 -13.073 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.807 19.728 -11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.713 19.534 -13.285 1.00 0.00 H new ATOM 0 HE ARG A 41 4.551 19.431 -14.739 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.567 20.919 -11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.277 20.954 -12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.727 19.482 -15.293 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.932 20.132 -14.177 1.00 0.00 H new ATOM 594 N GLN A 42 2.434 23.544 -8.774 1.00 0.00 N ATOM 595 CA GLN A 42 1.680 24.462 -7.936 1.00 0.00 C ATOM 596 C GLN A 42 2.365 24.625 -6.578 1.00 0.00 C ATOM 597 O GLN A 42 2.608 23.643 -5.878 1.00 0.00 O ATOM 598 CB GLN A 42 0.235 23.988 -7.768 1.00 0.00 C ATOM 599 CG GLN A 42 0.173 22.469 -7.590 1.00 0.00 C ATOM 600 CD GLN A 42 -0.149 21.774 -8.913 1.00 0.00 C ATOM 601 OE1 GLN A 42 -1.170 22.013 -9.537 1.00 0.00 O ATOM 602 NE2 GLN A 42 0.777 20.904 -9.307 1.00 0.00 N ATOM 0 H GLN A 42 2.586 22.621 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 42 1.654 25.435 -8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.214 24.478 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.351 24.280 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.126 22.105 -7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.585 22.217 -6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.609 20.751 -8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.655 20.390 -10.179 1.00 0.00 H new ATOM 611 N PRO A 43 2.664 25.907 -6.236 1.00 0.00 N ATOM 612 CA PRO A 43 3.316 26.213 -4.974 1.00 0.00 C ATOM 613 C PRO A 43 2.334 26.095 -3.807 1.00 0.00 C ATOM 614 O PRO A 43 2.708 26.295 -2.653 1.00 0.00 O ATOM 615 CB PRO A 43 3.867 27.619 -5.146 1.00 0.00 C ATOM 616 CG PRO A 43 3.108 28.224 -6.316 1.00 0.00 C ATOM 617 CD PRO A 43 2.391 27.096 -7.039 1.00 0.00 C ATOM 0 HA PRO A 43 4.116 25.513 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.723 28.208 -4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.938 27.597 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.393 28.967 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.793 28.736 -6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.320 27.289 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.762 26.980 -8.057 1.00 0.00 H new ATOM 625 N ASP A 44 1.095 25.768 -4.147 1.00 0.00 N ATOM 626 CA ASP A 44 0.057 25.621 -3.142 1.00 0.00 C ATOM 627 C ASP A 44 -0.125 24.137 -2.817 1.00 0.00 C ATOM 628 O ASP A 44 -1.115 23.750 -2.200 1.00 0.00 O ATOM 629 CB ASP A 44 -1.282 26.161 -3.650 1.00 0.00 C ATOM 630 CG ASP A 44 -1.796 27.404 -2.921 1.00 0.00 C ATOM 631 OD1 ASP A 44 -2.640 27.311 -2.018 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.287 28.519 -3.321 1.00 0.00 O ATOM 0 H ASP A 44 0.787 25.601 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 44 0.361 26.183 -2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.184 26.395 -4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.030 25.373 -3.565 1.00 0.00 H new ATOM 638 N LEU A 45 0.848 23.346 -3.248 1.00 0.00 N ATOM 639 CA LEU A 45 0.807 21.913 -3.010 1.00 0.00 C ATOM 640 C LEU A 45 2.131 21.466 -2.385 1.00 0.00 C ATOM 641 O LEU A 45 2.521 20.307 -2.510 1.00 0.00 O ATOM 642 CB LEU A 45 0.453 21.166 -4.297 1.00 0.00 C ATOM 643 CG LEU A 45 -0.789 20.274 -4.234 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.522 20.258 -5.578 1.00 0.00 C ATOM 645 CD2 LEU A 45 -0.428 18.865 -3.761 1.00 0.00 C ATOM 0 H LEU A 45 1.668 23.670 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 45 0.018 21.668 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.310 21.899 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.305 20.549 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.475 20.695 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.400 19.617 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.832 21.271 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.856 19.875 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.328 18.251 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.287 18.421 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.015 18.917 -2.767 1.00 0.00 H new ATOM 657 N ILE A 46 2.785 22.411 -1.726 1.00 0.00 N ATOM 658 CA ILE A 46 4.057 22.130 -1.081 1.00 0.00 C ATOM 659 C ILE A 46 3.809 21.328 0.197 1.00 0.00 C ATOM 660 O ILE A 46 4.413 20.276 0.401 1.00 0.00 O ATOM 661 CB ILE A 46 4.840 23.425 -0.853 1.00 0.00 C ATOM 662 CG1 ILE A 46 5.855 23.657 -1.974 1.00 0.00 C ATOM 663 CG2 ILE A 46 5.499 23.430 0.528 1.00 0.00 C ATOM 664 CD1 ILE A 46 5.154 24.066 -3.272 1.00 0.00 C ATOM 0 H ILE A 46 2.458 23.372 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 46 4.684 21.515 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 46 4.138 24.258 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.560 24.434 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.434 22.748 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.049 24.361 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.732 23.345 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.186 22.588 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.898 24.225 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.468 23.277 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.596 24.988 -3.109 1.00 0.00 H new ATOM 676 N PRO A 47 2.895 21.868 1.047 1.00 0.00 N ATOM 677 CA PRO A 47 2.559 21.214 2.300 1.00 0.00 C ATOM 678 C PRO A 47 1.666 19.994 2.060 1.00 0.00 C ATOM 679 O PRO A 47 1.554 19.124 2.923 1.00 0.00 O ATOM 680 CB PRO A 47 1.885 22.288 3.137 1.00 0.00 C ATOM 681 CG PRO A 47 1.450 23.367 2.158 1.00 0.00 C ATOM 682 CD PRO A 47 2.159 23.111 0.838 1.00 0.00 C ATOM 0 HA PRO A 47 3.434 20.818 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.029 21.883 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.571 22.690 3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.369 23.345 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.703 24.355 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.447 23.016 0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.831 23.931 0.584 1.00 0.00 H new ATOM 690 N LEU A 48 1.056 19.969 0.884 1.00 0.00 N ATOM 691 CA LEU A 48 0.178 18.871 0.520 1.00 0.00 C ATOM 692 C LEU A 48 1.010 17.731 -0.070 1.00 0.00 C ATOM 693 O LEU A 48 0.623 16.567 0.015 1.00 0.00 O ATOM 694 CB LEU A 48 -0.938 19.362 -0.406 1.00 0.00 C ATOM 695 CG LEU A 48 -1.954 20.320 0.218 1.00 0.00 C ATOM 696 CD1 LEU A 48 -2.604 21.201 -0.851 1.00 0.00 C ATOM 697 CD2 LEU A 48 -2.994 19.557 1.041 1.00 0.00 C ATOM 0 H LEU A 48 1.153 20.692 0.171 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.323 18.475 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.481 19.857 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.474 18.493 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.424 20.982 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.322 21.873 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.836 21.787 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.118 20.572 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.704 20.262 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.525 18.856 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.495 19.009 1.840 1.00 0.00 H new ATOM 709 N LEU A 49 2.138 18.107 -0.655 1.00 0.00 N ATOM 710 CA LEU A 49 3.029 17.131 -1.259 1.00 0.00 C ATOM 711 C LEU A 49 3.352 16.040 -0.235 1.00 0.00 C ATOM 712 O LEU A 49 2.884 14.909 -0.361 1.00 0.00 O ATOM 713 CB LEU A 49 4.269 17.819 -1.834 1.00 0.00 C ATOM 714 CG LEU A 49 4.711 17.353 -3.222 1.00 0.00 C ATOM 715 CD1 LEU A 49 5.491 18.452 -3.947 1.00 0.00 C ATOM 716 CD2 LEU A 49 5.506 16.049 -3.134 1.00 0.00 C ATOM 0 H LEU A 49 2.455 19.074 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 49 2.542 16.644 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.078 18.891 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.097 17.669 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 49 3.819 17.148 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.793 18.095 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.859 19.333 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.377 18.712 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.809 15.739 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.392 16.204 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.885 15.273 -2.686 1.00 0.00 H new ATOM 728 N ARG A 50 4.148 16.416 0.753 1.00 0.00 N ATOM 729 CA ARG A 50 4.540 15.484 1.797 1.00 0.00 C ATOM 730 C ARG A 50 3.304 14.793 2.380 1.00 0.00 C ATOM 731 O ARG A 50 3.195 13.568 2.334 1.00 0.00 O ATOM 732 CB ARG A 50 5.293 16.199 2.920 1.00 0.00 C ATOM 733 CG ARG A 50 6.625 16.759 2.416 1.00 0.00 C ATOM 734 CD ARG A 50 7.148 17.851 3.351 1.00 0.00 C ATOM 735 NE ARG A 50 7.221 19.142 2.630 1.00 0.00 N ATOM 736 CZ ARG A 50 7.905 20.218 3.071 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.585 20.168 4.236 1.00 0.00 N ATOM 738 NH2 ARG A 50 7.902 21.321 2.345 1.00 0.00 N ATOM 0 H ARG A 50 4.533 17.355 0.854 1.00 0.00 H new ATOM 0 HA ARG A 50 5.200 14.741 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.680 17.009 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.473 15.505 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.358 15.955 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.497 17.165 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.492 17.945 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.134 17.578 3.726 1.00 0.00 H new ATOM 0 HE ARG A 50 6.723 19.223 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.584 19.312 4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.099 20.986 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.387 21.351 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.414 22.143 2.664 1.00 0.00 H new ATOM 752 N THR A 51 2.408 15.607 2.914 1.00 0.00 N ATOM 753 CA THR A 51 1.185 15.089 3.505 1.00 0.00 C ATOM 754 C THR A 51 0.652 13.913 2.684 1.00 0.00 C ATOM 755 O THR A 51 0.289 12.877 3.240 1.00 0.00 O ATOM 756 CB THR A 51 0.191 16.246 3.625 1.00 0.00 C ATOM 757 OG1 THR A 51 0.738 17.068 4.653 1.00 0.00 O ATOM 758 CG2 THR A 51 -1.162 15.800 4.186 1.00 0.00 C ATOM 0 H THR A 51 2.503 16.622 2.951 1.00 0.00 H new ATOM 0 HA THR A 51 1.366 14.692 4.504 1.00 0.00 H new ATOM 0 HB THR A 51 0.046 16.703 2.646 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.103 17.887 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.830 16.659 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.599 15.049 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.021 15.374 5.179 1.00 0.00 H new ATOM 766 N GLN A 52 0.623 14.112 1.375 1.00 0.00 N ATOM 767 CA GLN A 52 0.141 13.081 0.472 1.00 0.00 C ATOM 768 C GLN A 52 1.030 11.839 0.561 1.00 0.00 C ATOM 769 O GLN A 52 0.541 10.737 0.803 1.00 0.00 O ATOM 770 CB GLN A 52 0.067 13.601 -0.965 1.00 0.00 C ATOM 771 CG GLN A 52 -1.233 14.371 -1.204 1.00 0.00 C ATOM 772 CD GLN A 52 -1.732 14.174 -2.637 1.00 0.00 C ATOM 773 OE1 GLN A 52 -2.009 15.116 -3.360 1.00 0.00 O ATOM 774 NE2 GLN A 52 -1.831 12.900 -3.005 1.00 0.00 N ATOM 0 H GLN A 52 0.926 14.972 0.918 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.869 12.803 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.920 14.250 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.132 12.765 -1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.994 14.034 -0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.071 15.432 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.583 12.159 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.155 12.664 -3.943 1.00 0.00 H new ATOM 783 N PHE A 53 2.321 12.060 0.360 1.00 0.00 N ATOM 784 CA PHE A 53 3.283 10.972 0.414 1.00 0.00 C ATOM 785 C PHE A 53 3.087 10.129 1.675 1.00 0.00 C ATOM 786 O PHE A 53 2.749 8.950 1.593 1.00 0.00 O ATOM 787 CB PHE A 53 4.674 11.608 0.451 1.00 0.00 C ATOM 788 CG PHE A 53 5.791 10.639 0.847 1.00 0.00 C ATOM 789 CD1 PHE A 53 6.078 9.571 0.057 1.00 0.00 C ATOM 790 CD2 PHE A 53 6.496 10.847 1.993 1.00 0.00 C ATOM 791 CE1 PHE A 53 7.113 8.673 0.425 1.00 0.00 C ATOM 792 CE2 PHE A 53 7.531 9.949 2.361 1.00 0.00 C ATOM 793 CZ PHE A 53 7.819 8.880 1.570 1.00 0.00 C ATOM 0 H PHE A 53 2.723 12.976 0.160 1.00 0.00 H new ATOM 0 HA PHE A 53 3.156 10.319 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.899 12.023 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.663 12.441 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.518 9.406 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.268 11.695 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.341 7.825 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.091 10.114 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.607 8.197 1.850 1.00 0.00 H new ATOM 803 N PHE A 54 3.309 10.768 2.816 1.00 0.00 N ATOM 804 CA PHE A 54 3.161 10.091 4.093 1.00 0.00 C ATOM 805 C PHE A 54 1.983 9.114 4.063 1.00 0.00 C ATOM 806 O PHE A 54 2.152 7.925 4.328 1.00 0.00 O ATOM 807 CB PHE A 54 2.885 11.171 5.141 1.00 0.00 C ATOM 808 CG PHE A 54 3.461 10.857 6.524 1.00 0.00 C ATOM 809 CD1 PHE A 54 3.223 9.649 7.101 1.00 0.00 C ATOM 810 CD2 PHE A 54 4.210 11.785 7.176 1.00 0.00 C ATOM 811 CE1 PHE A 54 3.756 9.356 8.384 1.00 0.00 C ATOM 812 CE2 PHE A 54 4.743 11.494 8.460 1.00 0.00 C ATOM 813 CZ PHE A 54 4.506 10.285 9.036 1.00 0.00 C ATOM 0 H PHE A 54 3.590 11.746 2.882 1.00 0.00 H new ATOM 0 HA PHE A 54 4.063 9.523 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.300 12.116 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.808 11.310 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.628 8.912 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.400 12.744 6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.566 8.396 8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.336 12.233 8.979 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.913 10.062 10.011 1.00 0.00 H new ATOM 823 N ILE A 55 0.817 9.653 3.738 1.00 0.00 N ATOM 824 CA ILE A 55 -0.388 8.844 3.670 1.00 0.00 C ATOM 825 C ILE A 55 -0.170 7.695 2.685 1.00 0.00 C ATOM 826 O ILE A 55 -0.427 6.537 3.010 1.00 0.00 O ATOM 827 CB ILE A 55 -1.601 9.716 3.340 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.141 10.404 4.597 1.00 0.00 C ATOM 829 CG2 ILE A 55 -2.681 8.904 2.623 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.712 11.783 4.263 1.00 0.00 C ATOM 0 H ILE A 55 0.681 10.640 3.519 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.602 8.396 4.640 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.281 10.501 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.916 9.786 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.343 10.505 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.532 9.547 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.277 8.502 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.005 8.083 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.089 12.251 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.929 12.407 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.526 11.676 3.546 1.00 0.00 H new ATOM 842 N VAL A 56 0.301 8.054 1.500 1.00 0.00 N ATOM 843 CA VAL A 56 0.556 7.067 0.465 1.00 0.00 C ATOM 844 C VAL A 56 1.405 5.933 1.045 1.00 0.00 C ATOM 845 O VAL A 56 0.940 4.800 1.156 1.00 0.00 O ATOM 846 CB VAL A 56 1.203 7.737 -0.749 1.00 0.00 C ATOM 847 CG1 VAL A 56 1.876 6.702 -1.653 1.00 0.00 C ATOM 848 CG2 VAL A 56 0.180 8.564 -1.530 1.00 0.00 C ATOM 0 H VAL A 56 0.513 9.016 1.234 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.379 6.628 0.118 1.00 0.00 H new ATOM 0 HB VAL A 56 1.974 8.416 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.328 7.205 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.648 6.176 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.132 5.987 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.666 9.029 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.624 7.915 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.232 9.338 -0.883 1.00 0.00 H new ATOM 858 N MET A 57 2.634 6.279 1.399 1.00 0.00 N ATOM 859 CA MET A 57 3.551 5.305 1.965 1.00 0.00 C ATOM 860 C MET A 57 2.834 4.389 2.959 1.00 0.00 C ATOM 861 O MET A 57 3.215 3.232 3.129 1.00 0.00 O ATOM 862 CB MET A 57 4.695 6.032 2.675 1.00 0.00 C ATOM 863 CG MET A 57 6.050 5.449 2.270 1.00 0.00 C ATOM 864 SD MET A 57 7.145 5.416 3.679 1.00 0.00 S ATOM 865 CE MET A 57 8.698 5.102 2.857 1.00 0.00 C ATOM 0 H MET A 57 3.016 7.220 1.305 1.00 0.00 H new ATOM 0 HA MET A 57 3.945 4.692 1.154 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.664 7.094 2.430 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.568 5.951 3.755 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.919 4.441 1.877 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.489 6.047 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.497 5.051 3.596 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.640 4.156 2.319 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.906 5.908 2.153 1.00 0.00 H new ATOM 875 N GLY A 58 1.806 4.941 3.589 1.00 0.00 N ATOM 876 CA GLY A 58 1.032 4.188 4.561 1.00 0.00 C ATOM 877 C GLY A 58 0.097 3.196 3.867 1.00 0.00 C ATOM 878 O GLY A 58 -0.018 2.047 4.288 1.00 0.00 O ATOM 0 H GLY A 58 1.492 5.901 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.705 3.652 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.449 4.873 5.177 1.00 0.00 H new ATOM 882 N LEU A 59 -0.548 3.678 2.815 1.00 0.00 N ATOM 883 CA LEU A 59 -1.471 2.849 2.058 1.00 0.00 C ATOM 884 C LEU A 59 -0.677 1.910 1.147 1.00 0.00 C ATOM 885 O LEU A 59 -1.245 1.012 0.528 1.00 0.00 O ATOM 886 CB LEU A 59 -2.485 3.717 1.313 1.00 0.00 C ATOM 887 CG LEU A 59 -3.829 3.931 2.014 1.00 0.00 C ATOM 888 CD1 LEU A 59 -4.018 5.399 2.400 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.984 3.410 1.157 1.00 0.00 C ATOM 0 H LEU A 59 -0.450 4.632 2.469 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.057 2.222 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.034 4.692 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.674 3.266 0.339 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.828 3.353 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.980 5.524 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.219 5.703 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.989 6.018 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.927 3.574 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.999 3.940 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.851 2.343 0.976 1.00 0.00 H new ATOM 901 N VAL A 60 0.625 2.153 1.093 1.00 0.00 N ATOM 902 CA VAL A 60 1.503 1.342 0.267 1.00 0.00 C ATOM 903 C VAL A 60 1.932 0.101 1.052 1.00 0.00 C ATOM 904 O VAL A 60 1.996 -0.997 0.500 1.00 0.00 O ATOM 905 CB VAL A 60 2.686 2.180 -0.220 1.00 0.00 C ATOM 906 CG1 VAL A 60 3.752 1.298 -0.872 1.00 0.00 C ATOM 907 CG2 VAL A 60 2.222 3.279 -1.178 1.00 0.00 C ATOM 0 H VAL A 60 1.092 2.899 1.608 1.00 0.00 H new ATOM 0 HA VAL A 60 0.978 0.998 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 60 3.136 2.661 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.582 1.919 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.115 0.570 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.320 0.775 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.083 3.860 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.735 2.827 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.517 3.934 -0.666 1.00 0.00 H new ATOM 917 N ASN A 61 2.215 0.316 2.329 1.00 0.00 N ATOM 918 CA ASN A 61 2.636 -0.770 3.196 1.00 0.00 C ATOM 919 C ASN A 61 1.406 -1.401 3.852 1.00 0.00 C ATOM 920 O ASN A 61 1.478 -2.510 4.380 1.00 0.00 O ATOM 921 CB ASN A 61 3.557 -0.264 4.307 1.00 0.00 C ATOM 922 CG ASN A 61 5.024 -0.332 3.879 1.00 0.00 C ATOM 923 OD1 ASN A 61 5.918 -0.587 4.669 1.00 0.00 O ATOM 924 ND2 ASN A 61 5.221 -0.091 2.586 1.00 0.00 N ATOM 0 H ASN A 61 2.161 1.228 2.784 1.00 0.00 H new ATOM 0 HA ASN A 61 3.173 -1.497 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.296 0.764 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.409 -0.861 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.165 -0.113 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.428 0.116 1.979 1.00 0.00 H new ATOM 931 N ALA A 62 0.305 -0.666 3.799 1.00 0.00 N ATOM 932 CA ALA A 62 -0.940 -1.138 4.381 1.00 0.00 C ATOM 933 C ALA A 62 -1.688 -1.990 3.353 1.00 0.00 C ATOM 934 O ALA A 62 -2.214 -3.050 3.686 1.00 0.00 O ATOM 935 CB ALA A 62 -1.766 0.057 4.860 1.00 0.00 C ATOM 0 H ALA A 62 0.249 0.254 3.362 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.743 -1.767 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.700 -0.298 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.202 0.612 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.985 0.710 4.015 1.00 0.00 H new ATOM 941 N ILE A 63 -1.711 -1.492 2.125 1.00 0.00 N ATOM 942 CA ILE A 63 -2.387 -2.195 1.047 1.00 0.00 C ATOM 943 C ILE A 63 -2.136 -3.698 1.187 1.00 0.00 C ATOM 944 O ILE A 63 -3.078 -4.488 1.197 1.00 0.00 O ATOM 945 CB ILE A 63 -1.964 -1.626 -0.310 1.00 0.00 C ATOM 946 CG1 ILE A 63 -2.991 -0.614 -0.823 1.00 0.00 C ATOM 947 CG2 ILE A 63 -1.709 -2.747 -1.319 1.00 0.00 C ATOM 948 CD1 ILE A 63 -2.412 0.224 -1.964 1.00 0.00 C ATOM 0 H ILE A 63 -1.273 -0.612 1.853 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.465 -2.044 1.110 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.023 -1.092 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.882 -1.138 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.301 0.040 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.410 -2.316 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.915 -3.396 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.620 -3.330 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.162 0.935 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.535 0.766 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.125 -0.431 -2.787 1.00 0.00 H new ATOM 960 N PRO A 64 -0.829 -4.055 1.296 1.00 0.00 N ATOM 961 CA PRO A 64 -0.444 -5.450 1.436 1.00 0.00 C ATOM 962 C PRO A 64 -0.736 -5.961 2.848 1.00 0.00 C ATOM 963 O PRO A 64 -1.180 -7.095 3.022 1.00 0.00 O ATOM 964 CB PRO A 64 1.035 -5.486 1.085 1.00 0.00 C ATOM 965 CG PRO A 64 1.529 -4.054 1.215 1.00 0.00 C ATOM 966 CD PRO A 64 0.313 -3.146 1.288 1.00 0.00 C ATOM 0 HA PRO A 64 -1.012 -6.111 0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.580 -6.150 1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.187 -5.861 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.143 -3.942 2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.154 -3.787 0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.334 -2.528 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.273 -2.468 0.435 1.00 0.00 H new ATOM 974 N MET A 65 -0.476 -5.098 3.820 1.00 0.00 N ATOM 975 CA MET A 65 -0.706 -5.448 5.212 1.00 0.00 C ATOM 976 C MET A 65 -2.107 -6.032 5.406 1.00 0.00 C ATOM 977 O MET A 65 -2.256 -7.137 5.926 1.00 0.00 O ATOM 978 CB MET A 65 -0.546 -4.202 6.084 1.00 0.00 C ATOM 979 CG MET A 65 -0.523 -4.572 7.569 1.00 0.00 C ATOM 980 SD MET A 65 1.159 -4.831 8.107 1.00 0.00 S ATOM 981 CE MET A 65 0.893 -5.060 9.857 1.00 0.00 C ATOM 0 H MET A 65 -0.109 -4.158 3.671 1.00 0.00 H new ATOM 0 HA MET A 65 0.025 -6.202 5.504 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.376 -3.685 5.820 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.366 -3.510 5.890 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.984 -3.778 8.157 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.110 -5.475 7.737 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.849 -5.235 10.351 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.427 -4.167 10.274 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.240 -5.918 10.017 1.00 0.00 H new ATOM 991 N ILE A 66 -3.098 -5.264 4.978 1.00 0.00 N ATOM 992 CA ILE A 66 -4.481 -5.691 5.098 1.00 0.00 C ATOM 993 C ILE A 66 -4.742 -6.841 4.122 1.00 0.00 C ATOM 994 O ILE A 66 -5.569 -7.711 4.390 1.00 0.00 O ATOM 995 CB ILE A 66 -5.427 -4.503 4.915 1.00 0.00 C ATOM 996 CG1 ILE A 66 -5.223 -3.465 6.020 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.882 -4.968 4.827 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.110 -2.056 5.435 1.00 0.00 C ATOM 0 H ILE A 66 -2.970 -4.348 4.547 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.676 -6.072 6.100 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.187 -4.018 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.057 -3.506 6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.321 -3.702 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.533 -4.103 4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.998 -5.641 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.153 -5.492 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.966 -1.338 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.260 -2.012 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.023 -1.813 4.892 1.00 0.00 H new ATOM 1010 N ALA A 67 -4.022 -6.806 3.010 1.00 0.00 N ATOM 1011 CA ALA A 67 -4.166 -7.833 1.993 1.00 0.00 C ATOM 1012 C ALA A 67 -3.847 -9.199 2.605 1.00 0.00 C ATOM 1013 O ALA A 67 -4.742 -10.017 2.810 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.264 -7.504 0.802 1.00 0.00 C ATOM 0 H ALA A 67 -3.337 -6.082 2.791 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.192 -7.867 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.373 -8.275 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.550 -6.538 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.226 -7.464 1.132 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.567 -9.403 2.880 1.00 0.00 N ATOM 1021 CA VAL A 68 -2.116 -10.655 3.465 1.00 0.00 C ATOM 1022 C VAL A 68 -2.745 -10.821 4.851 1.00 0.00 C ATOM 1023 O VAL A 68 -2.969 -11.941 5.305 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.587 -10.702 3.493 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -0.089 -12.058 3.992 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -0.005 -10.377 2.115 1.00 0.00 C ATOM 0 H VAL A 68 -1.827 -8.722 2.708 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.441 -11.499 2.856 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.241 -9.941 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.001 -12.064 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.462 -12.234 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.450 -12.845 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.083 -10.417 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.364 -11.105 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.319 -9.378 1.814 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.010 -9.687 5.484 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.607 -9.692 6.808 1.00 0.00 C ATOM 1038 C GLY A 69 -4.908 -10.499 6.821 1.00 0.00 C ATOM 1039 O GLY A 69 -5.074 -11.403 7.639 1.00 0.00 O ATOM 0 H GLY A 69 -2.822 -8.759 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.905 -10.116 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.807 -8.668 7.124 1.00 0.00 H new ATOM 1043 N LEU A 70 -5.796 -10.143 5.905 1.00 0.00 N ATOM 1044 CA LEU A 70 -7.075 -10.823 5.800 1.00 0.00 C ATOM 1045 C LEU A 70 -6.842 -12.284 5.412 1.00 0.00 C ATOM 1046 O LEU A 70 -7.292 -13.194 6.107 1.00 0.00 O ATOM 1047 CB LEU A 70 -8.003 -10.073 4.841 1.00 0.00 C ATOM 1048 CG LEU A 70 -9.401 -9.752 5.374 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -10.122 -8.758 4.461 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -10.214 -11.031 5.586 1.00 0.00 C ATOM 0 H LEU A 70 -5.655 -9.392 5.229 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.584 -10.826 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.520 -9.138 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.109 -10.665 3.932 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.294 -9.274 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.113 -8.547 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.549 -7.833 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.219 -9.185 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.203 -10.775 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.314 -11.560 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.704 -11.671 6.306 1.00 0.00 H new ATOM 1062 N GLY A 71 -6.138 -12.464 4.303 1.00 0.00 N ATOM 1063 CA GLY A 71 -5.840 -13.799 3.815 1.00 0.00 C ATOM 1064 C GLY A 71 -5.386 -14.712 4.956 1.00 0.00 C ATOM 1065 O GLY A 71 -5.815 -15.861 5.045 1.00 0.00 O ATOM 0 H GLY A 71 -5.766 -11.707 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.724 -14.221 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.061 -13.746 3.055 1.00 0.00 H new ATOM 1069 N LEU A 72 -4.524 -14.165 5.802 1.00 0.00 N ATOM 1070 CA LEU A 72 -4.008 -14.916 6.934 1.00 0.00 C ATOM 1071 C LEU A 72 -5.146 -15.194 7.918 1.00 0.00 C ATOM 1072 O LEU A 72 -5.501 -16.347 8.153 1.00 0.00 O ATOM 1073 CB LEU A 72 -2.817 -14.189 7.560 1.00 0.00 C ATOM 1074 CG LEU A 72 -1.454 -14.863 7.390 1.00 0.00 C ATOM 1075 CD1 LEU A 72 -0.389 -14.167 8.239 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -1.542 -16.360 7.696 1.00 0.00 C ATOM 0 H LEU A 72 -4.170 -13.211 5.726 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.626 -15.883 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.761 -13.189 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.010 -14.068 8.626 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.151 -14.764 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.570 -14.666 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.304 -13.124 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.673 -14.214 9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.560 -16.816 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.877 -16.502 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.252 -16.829 7.015 1.00 0.00 H new ATOM 1088 N TYR A 73 -5.687 -14.115 8.466 1.00 0.00 N ATOM 1089 CA TYR A 73 -6.779 -14.229 9.420 1.00 0.00 C ATOM 1090 C TYR A 73 -7.738 -15.351 9.024 1.00 0.00 C ATOM 1091 O TYR A 73 -8.206 -16.104 9.878 1.00 0.00 O ATOM 1092 CB TYR A 73 -7.523 -12.894 9.368 1.00 0.00 C ATOM 1093 CG TYR A 73 -8.980 -12.976 9.828 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -9.972 -13.302 8.925 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -9.303 -12.726 11.146 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -11.343 -13.379 9.358 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -10.674 -12.803 11.580 1.00 0.00 C ATOM 1098 CZ TYR A 73 -11.627 -13.126 10.664 1.00 0.00 C ATOM 1099 OH TYR A 73 -12.921 -13.200 11.073 1.00 0.00 O ATOM 0 H TYR A 73 -5.390 -13.159 8.268 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.398 -14.457 10.415 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.996 -12.171 9.991 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.496 -12.514 8.347 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.720 -13.499 7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.527 -12.472 11.853 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.128 -13.632 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.940 -12.609 12.609 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.974 -12.996 12.030 1.00 0.00 H new ATOM 1109 N VAL A 74 -8.005 -15.429 7.728 1.00 0.00 N ATOM 1110 CA VAL A 74 -8.902 -16.447 7.208 1.00 0.00 C ATOM 1111 C VAL A 74 -8.252 -17.823 7.368 1.00 0.00 C ATOM 1112 O VAL A 74 -8.871 -18.749 7.890 1.00 0.00 O ATOM 1113 CB VAL A 74 -9.273 -16.127 5.759 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -10.070 -17.272 5.131 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -10.045 -14.809 5.669 1.00 0.00 C ATOM 0 H VAL A 74 -7.616 -14.803 7.023 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.834 -16.459 7.773 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.348 -16.013 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.321 -17.019 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.471 -18.183 5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.987 -17.432 5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.297 -14.605 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.961 -14.883 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.429 -13.999 6.059 1.00 0.00 H new ATOM 1125 N MET A 75 -7.012 -17.913 6.910 1.00 0.00 N ATOM 1126 CA MET A 75 -6.271 -19.161 6.997 1.00 0.00 C ATOM 1127 C MET A 75 -6.193 -19.654 8.444 1.00 0.00 C ATOM 1128 O MET A 75 -6.624 -20.764 8.749 1.00 0.00 O ATOM 1129 CB MET A 75 -4.857 -18.953 6.450 1.00 0.00 C ATOM 1130 CG MET A 75 -4.483 -20.061 5.464 1.00 0.00 C ATOM 1131 SD MET A 75 -2.713 -20.291 5.447 1.00 0.00 S ATOM 1132 CE MET A 75 -2.586 -21.787 6.413 1.00 0.00 C ATOM 0 H MET A 75 -6.502 -17.143 6.478 1.00 0.00 H new ATOM 0 HA MET A 75 -6.792 -19.914 6.406 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.793 -17.984 5.955 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.143 -18.938 7.274 1.00 0.00 H new ATOM 0 HG2 MET A 75 -4.976 -20.991 5.746 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.834 -19.804 4.465 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.538 -22.075 6.502 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.001 -21.615 7.406 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.141 -22.586 5.921 1.00 0.00 H new ATOM 1142 N PHE A 76 -5.640 -18.803 9.295 1.00 0.00 N ATOM 1143 CA PHE A 76 -5.500 -19.137 10.702 1.00 0.00 C ATOM 1144 C PHE A 76 -6.858 -19.462 11.327 1.00 0.00 C ATOM 1145 O PHE A 76 -7.020 -20.501 11.965 1.00 0.00 O ATOM 1146 CB PHE A 76 -4.913 -17.908 11.398 1.00 0.00 C ATOM 1147 CG PHE A 76 -4.621 -18.116 12.886 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.580 -18.900 13.273 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -5.403 -17.513 13.822 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.309 -19.092 14.653 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -5.133 -17.706 15.203 1.00 0.00 C ATOM 1152 CZ PHE A 76 -4.092 -18.491 15.589 1.00 0.00 C ATOM 0 H PHE A 76 -5.284 -17.883 9.037 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.860 -20.012 10.814 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.990 -17.624 10.893 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.607 -17.074 11.287 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.959 -19.377 12.530 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.229 -16.888 13.515 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.482 -19.715 14.960 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.755 -17.229 15.947 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.887 -18.637 16.639 1.00 0.00 H new ATOM 1162 N ALA A 77 -7.800 -18.553 11.120 1.00 0.00 N ATOM 1163 CA ALA A 77 -9.140 -18.729 11.656 1.00 0.00 C ATOM 1164 C ALA A 77 -9.559 -20.192 11.497 1.00 0.00 C ATOM 1165 O ALA A 77 -9.754 -20.896 12.486 1.00 0.00 O ATOM 1166 CB ALA A 77 -10.101 -17.768 10.953 1.00 0.00 C ATOM 0 H ALA A 77 -7.662 -17.693 10.589 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.163 -18.493 12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.106 -17.900 11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.775 -16.741 11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.107 -17.978 9.883 1.00 0.00 H new ATOM 1172 N VAL A 78 -9.687 -20.605 10.245 1.00 0.00 N ATOM 1173 CA VAL A 78 -10.080 -21.971 9.944 1.00 0.00 C ATOM 1174 C VAL A 78 -9.015 -22.932 10.476 1.00 0.00 C ATOM 1175 O VAL A 78 -9.340 -23.992 11.009 1.00 0.00 O ATOM 1176 CB VAL A 78 -10.329 -22.126 8.443 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -9.027 -21.978 7.654 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -11.009 -23.461 8.133 1.00 0.00 C ATOM 0 H VAL A 78 -9.525 -20.018 9.427 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.018 -22.217 10.442 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.003 -21.328 8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.232 -22.092 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.600 -20.992 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.320 -22.744 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.174 -23.544 7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.372 -24.280 8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.966 -23.511 8.652 1.00 0.00 H new ATOM 1188 N ALA A 79 -7.764 -22.528 10.313 1.00 0.00 N ATOM 1189 CA ALA A 79 -6.649 -23.340 10.769 1.00 0.00 C ATOM 1190 C ALA A 79 -6.933 -24.811 10.458 1.00 0.00 C ATOM 1191 O ALA A 79 -7.066 -25.627 11.369 1.00 0.00 O ATOM 1192 CB ALA A 79 -6.416 -23.094 12.261 1.00 0.00 C ATOM 0 H ALA A 79 -7.498 -21.648 9.871 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.734 -23.064 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.580 -23.703 12.604 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.189 -22.041 12.425 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.313 -23.363 12.819 1.00 0.00 H new