USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 180:sc= -0.0741 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+ -174:sc= 0 (180deg=-0.0248) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0331 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=-0.00925 X(o=-0.0093,f=0.0074) 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 74:sc= 0.178 USER MOD Single : A 65 THR OG1 : rot 93:sc= 0.408 USER MOD Single : A 67 MET CE :methyl 154:sc= -0.217 (180deg=-1.38!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -150:sc= -0.0278 (180deg=-1.23) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -19.241 -7.393 -21.533 1.00 0.00 N ATOM 96 CA GLY A 7 -19.625 -6.064 -21.089 1.00 0.00 C ATOM 97 C GLY A 7 -20.610 -6.140 -19.920 1.00 0.00 C ATOM 98 O GLY A 7 -20.359 -5.578 -18.855 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.738 -5.507 -20.786 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.078 -5.517 -21.916 1.00 0.00 H new ATOM 102 N TYR A 8 -21.710 -6.838 -20.160 1.00 0.00 N ATOM 103 CA TYR A 8 -22.734 -6.994 -19.141 1.00 0.00 C ATOM 104 C TYR A 8 -22.116 -7.391 -17.799 1.00 0.00 C ATOM 105 O TYR A 8 -22.405 -6.777 -16.772 1.00 0.00 O ATOM 106 CB TYR A 8 -23.642 -8.127 -19.625 1.00 0.00 C ATOM 107 CG TYR A 8 -24.723 -8.531 -18.621 1.00 0.00 C ATOM 108 CD1 TYR A 8 -25.903 -7.818 -18.553 1.00 0.00 C ATOM 109 CD2 TYR A 8 -24.517 -9.607 -17.782 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.920 -8.199 -17.607 1.00 0.00 C ATOM 111 CE2 TYR A 8 -25.535 -9.988 -16.836 1.00 0.00 C ATOM 112 CZ TYR A 8 -26.686 -9.265 -16.796 1.00 0.00 C ATOM 113 OH TYR A 8 -27.647 -9.624 -15.903 1.00 0.00 O ATOM 0 H TYR A 8 -21.915 -7.302 -21.045 1.00 0.00 H new ATOM 0 HA TYR A 8 -23.274 -6.059 -18.994 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -24.121 -7.823 -20.556 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -23.028 -8.999 -19.853 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -26.064 -6.975 -19.209 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -23.593 -10.164 -17.834 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -27.848 -7.650 -17.543 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -25.387 -10.828 -16.174 1.00 0.00 H new ATOM 0 HH TYR A 8 -27.344 -10.403 -15.391 1.00 0.00 H new ATOM 123 N ALA A 9 -21.277 -8.415 -17.850 1.00 0.00 N ATOM 124 CA ALA A 9 -20.615 -8.901 -16.651 1.00 0.00 C ATOM 125 C ALA A 9 -19.832 -7.756 -16.005 1.00 0.00 C ATOM 126 O ALA A 9 -19.771 -7.653 -14.781 1.00 0.00 O ATOM 127 CB ALA A 9 -19.721 -10.090 -17.007 1.00 0.00 C ATOM 0 H ALA A 9 -21.040 -8.922 -18.703 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.348 -9.250 -15.924 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.225 -10.454 -16.107 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.329 -10.887 -17.434 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.971 -9.777 -17.734 1.00 0.00 H new ATOM 133 N ALA A 10 -19.254 -6.923 -16.858 1.00 0.00 N ATOM 134 CA ALA A 10 -18.477 -5.789 -16.386 1.00 0.00 C ATOM 135 C ALA A 10 -19.413 -4.778 -15.720 1.00 0.00 C ATOM 136 O ALA A 10 -19.007 -4.059 -14.808 1.00 0.00 O ATOM 137 CB ALA A 10 -17.699 -5.181 -17.555 1.00 0.00 C ATOM 0 H ALA A 10 -19.308 -7.010 -17.873 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.749 -6.106 -15.640 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.116 -4.331 -17.201 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.028 -5.931 -17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.397 -4.848 -18.323 1.00 0.00 H new ATOM 143 N LEU A 11 -20.647 -4.755 -16.202 1.00 0.00 N ATOM 144 CA LEU A 11 -21.643 -3.844 -15.664 1.00 0.00 C ATOM 145 C LEU A 11 -22.099 -4.345 -14.292 1.00 0.00 C ATOM 146 O LEU A 11 -22.194 -3.568 -13.344 1.00 0.00 O ATOM 147 CB LEU A 11 -22.788 -3.653 -16.661 1.00 0.00 C ATOM 148 CG LEU A 11 -22.987 -2.231 -17.189 1.00 0.00 C ATOM 149 CD1 LEU A 11 -21.897 -1.863 -18.198 1.00 0.00 C ATOM 150 CD2 LEU A 11 -24.390 -2.055 -17.773 1.00 0.00 C ATOM 0 H LEU A 11 -20.980 -5.352 -16.959 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.212 -2.854 -15.515 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.618 -4.314 -17.511 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.714 -3.976 -16.186 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.897 -1.540 -16.351 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -22.062 -0.847 -18.558 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.921 -1.924 -17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.931 -2.556 -19.039 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -24.506 -1.036 -18.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -24.532 -2.756 -18.595 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.133 -2.248 -16.999 1.00 0.00 H new ATOM 162 N VAL A 12 -22.369 -5.641 -14.231 1.00 0.00 N ATOM 163 CA VAL A 12 -22.812 -6.255 -12.991 1.00 0.00 C ATOM 164 C VAL A 12 -21.782 -5.981 -11.894 1.00 0.00 C ATOM 165 O VAL A 12 -22.119 -5.444 -10.840 1.00 0.00 O ATOM 166 CB VAL A 12 -23.071 -7.747 -13.209 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.317 -8.461 -11.879 1.00 0.00 C ATOM 168 CG2 VAL A 12 -24.239 -7.966 -14.173 1.00 0.00 C ATOM 0 H VAL A 12 -22.289 -6.282 -15.020 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.757 -5.819 -12.666 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.178 -8.179 -13.661 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.498 -9.520 -12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.442 -8.348 -11.238 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -24.186 -8.024 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -24.402 -9.035 -14.310 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -25.140 -7.512 -13.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -24.008 -7.508 -15.135 1.00 0.00 H new ATOM 178 N THR A 13 -20.545 -6.363 -12.180 1.00 0.00 N ATOM 179 CA THR A 13 -19.463 -6.166 -11.230 1.00 0.00 C ATOM 180 C THR A 13 -19.354 -4.689 -10.846 1.00 0.00 C ATOM 181 O THR A 13 -19.309 -4.353 -9.663 1.00 0.00 O ATOM 182 CB THR A 13 -18.182 -6.729 -11.850 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.162 -6.372 -10.921 1.00 0.00 O ATOM 184 CG2 THR A 13 -17.786 -6.002 -13.137 1.00 0.00 C ATOM 0 H THR A 13 -20.269 -6.808 -13.055 1.00 0.00 H new ATOM 0 HA THR A 13 -19.652 -6.699 -10.298 1.00 0.00 H new ATOM 0 HB THR A 13 -18.315 -7.790 -12.060 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.297 -6.700 -11.244 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.871 -6.440 -13.536 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.586 -6.101 -13.871 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.619 -4.947 -12.922 1.00 0.00 H new ATOM 192 N PHE A 14 -19.314 -3.846 -11.867 1.00 0.00 N ATOM 193 CA PHE A 14 -19.211 -2.413 -11.651 1.00 0.00 C ATOM 194 C PHE A 14 -20.186 -1.950 -10.566 1.00 0.00 C ATOM 195 O PHE A 14 -19.767 -1.464 -9.517 1.00 0.00 O ATOM 196 CB PHE A 14 -19.577 -1.733 -12.972 1.00 0.00 C ATOM 197 CG PHE A 14 -18.400 -1.042 -13.663 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.351 -1.778 -14.120 1.00 0.00 C ATOM 199 CD2 PHE A 14 -18.403 0.309 -13.822 1.00 0.00 C ATOM 200 CE1 PHE A 14 -16.259 -1.136 -14.761 1.00 0.00 C ATOM 201 CE2 PHE A 14 -17.311 0.951 -14.463 1.00 0.00 C ATOM 202 CZ PHE A 14 -16.262 0.215 -14.919 1.00 0.00 C ATOM 0 H PHE A 14 -19.351 -4.128 -12.847 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.202 -2.158 -11.328 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.996 -2.478 -13.649 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.359 -0.997 -12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.349 -2.851 -13.995 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.236 0.893 -13.461 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.426 -1.720 -15.123 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.313 2.024 -14.589 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.431 0.703 -15.407 1.00 0.00 H new ATOM 212 N GLY A 15 -21.468 -2.118 -10.857 1.00 0.00 N ATOM 213 CA GLY A 15 -22.505 -1.723 -9.919 1.00 0.00 C ATOM 214 C GLY A 15 -22.321 -2.423 -8.571 1.00 0.00 C ATOM 215 O GLY A 15 -22.121 -1.768 -7.550 1.00 0.00 O ATOM 0 H GLY A 15 -21.812 -2.522 -11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.480 -0.642 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.484 -1.969 -10.330 1.00 0.00 H new ATOM 219 N SER A 16 -22.395 -3.746 -8.612 1.00 0.00 N ATOM 220 CA SER A 16 -22.239 -4.541 -7.407 1.00 0.00 C ATOM 221 C SER A 16 -21.152 -3.936 -6.517 1.00 0.00 C ATOM 222 O SER A 16 -21.433 -3.480 -5.410 1.00 0.00 O ATOM 223 CB SER A 16 -21.900 -5.994 -7.746 1.00 0.00 C ATOM 224 OG SER A 16 -23.026 -6.854 -7.599 1.00 0.00 O ATOM 0 H SER A 16 -22.561 -4.286 -9.461 1.00 0.00 H new ATOM 0 HA SER A 16 -23.186 -4.533 -6.868 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.532 -6.051 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.094 -6.339 -7.098 1.00 0.00 H new ATOM 0 HG SER A 16 -22.769 -7.772 -7.826 1.00 0.00 H new ATOM 230 N ILE A 17 -19.932 -3.951 -7.035 1.00 0.00 N ATOM 231 CA ILE A 17 -18.801 -3.409 -6.301 1.00 0.00 C ATOM 232 C ILE A 17 -19.179 -2.042 -5.726 1.00 0.00 C ATOM 233 O ILE A 17 -18.905 -1.757 -4.562 1.00 0.00 O ATOM 234 CB ILE A 17 -17.553 -3.380 -7.185 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.579 -4.495 -6.796 1.00 0.00 C ATOM 236 CG2 ILE A 17 -16.889 -2.002 -7.153 1.00 0.00 C ATOM 237 CD1 ILE A 17 -16.960 -5.815 -7.469 1.00 0.00 C ATOM 0 H ILE A 17 -19.702 -4.330 -7.954 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.551 -4.052 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.860 -3.565 -8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.566 -4.215 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.579 -4.621 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.004 -2.009 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.591 -1.251 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.598 -1.762 -6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -16.252 -6.590 -7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.964 -6.105 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.935 -5.692 -8.552 1.00 0.00 H new ATOM 249 N PHE A 18 -19.803 -1.233 -6.570 1.00 0.00 N ATOM 250 CA PHE A 18 -20.221 0.097 -6.161 1.00 0.00 C ATOM 251 C PHE A 18 -21.019 0.043 -4.857 1.00 0.00 C ATOM 252 O PHE A 18 -20.804 0.857 -3.959 1.00 0.00 O ATOM 253 CB PHE A 18 -21.118 0.645 -7.272 1.00 0.00 C ATOM 254 CG PHE A 18 -20.997 2.156 -7.481 1.00 0.00 C ATOM 255 CD1 PHE A 18 -19.826 2.690 -7.921 1.00 0.00 C ATOM 256 CD2 PHE A 18 -22.060 2.965 -7.227 1.00 0.00 C ATOM 257 CE1 PHE A 18 -19.713 4.092 -8.115 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.947 4.367 -7.421 1.00 0.00 C ATOM 259 CZ PHE A 18 -20.776 4.901 -7.861 1.00 0.00 C ATOM 0 H PHE A 18 -20.029 -1.473 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.348 0.728 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -20.873 0.139 -8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.155 0.402 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.982 2.047 -8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -22.990 2.541 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -18.783 4.516 -8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -22.791 5.010 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.690 5.967 -8.009 1.00 0.00 H new ATOM 269 N GLY A 19 -21.924 -0.923 -4.793 1.00 0.00 N ATOM 270 CA GLY A 19 -22.755 -1.093 -3.613 1.00 0.00 C ATOM 271 C GLY A 19 -21.995 -1.830 -2.509 1.00 0.00 C ATOM 272 O GLY A 19 -22.371 -1.761 -1.339 1.00 0.00 O ATOM 0 H GLY A 19 -22.100 -1.596 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.079 -0.118 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.655 -1.650 -3.875 1.00 0.00 H new ATOM 276 N TYR A 20 -20.939 -2.517 -2.918 1.00 0.00 N ATOM 277 CA TYR A 20 -20.123 -3.266 -1.977 1.00 0.00 C ATOM 278 C TYR A 20 -20.989 -4.171 -1.099 1.00 0.00 C ATOM 279 O TYR A 20 -21.620 -3.704 -0.153 1.00 0.00 O ATOM 280 CB TYR A 20 -19.436 -2.223 -1.093 1.00 0.00 C ATOM 281 CG TYR A 20 -18.143 -2.717 -0.439 1.00 0.00 C ATOM 282 CD1 TYR A 20 -18.155 -3.856 0.339 1.00 0.00 C ATOM 283 CD2 TYR A 20 -16.966 -2.022 -0.628 1.00 0.00 C ATOM 284 CE1 TYR A 20 -16.939 -4.321 0.955 1.00 0.00 C ATOM 285 CE2 TYR A 20 -15.749 -2.487 -0.012 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.796 -3.613 0.748 1.00 0.00 C ATOM 287 OH TYR A 20 -14.647 -4.052 1.330 1.00 0.00 O ATOM 0 H TYR A 20 -20.629 -2.571 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.412 -3.901 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.213 -1.342 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -20.129 -1.910 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -19.077 -4.399 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -16.957 -1.130 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.935 -5.211 1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.821 -1.953 -0.151 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.910 -3.450 1.095 1.00 0.00 H new ATOM 297 N LYS A 21 -20.990 -5.450 -1.444 1.00 0.00 N ATOM 298 CA LYS A 21 -21.768 -6.425 -0.699 1.00 0.00 C ATOM 299 C LYS A 21 -20.989 -7.740 -0.619 1.00 0.00 C ATOM 300 O LYS A 21 -21.413 -8.751 -1.176 1.00 0.00 O ATOM 301 CB LYS A 21 -23.165 -6.574 -1.307 1.00 0.00 C ATOM 302 CG LYS A 21 -24.005 -7.576 -0.512 1.00 0.00 C ATOM 303 CD LYS A 21 -24.718 -8.556 -1.445 1.00 0.00 C ATOM 304 CE LYS A 21 -25.987 -7.931 -2.030 1.00 0.00 C ATOM 305 NZ LYS A 21 -27.084 -7.960 -1.038 1.00 0.00 N ATOM 0 H LYS A 21 -20.464 -5.834 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.925 -6.084 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -23.665 -5.605 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -23.082 -6.905 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.365 -8.126 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.740 -7.042 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.047 -8.849 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.974 -9.464 -0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.788 -6.902 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.286 -8.473 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.963 -7.627 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.217 -8.933 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.845 -7.341 -0.237 1.00 0.00 H new ATOM 319 N ARG A 22 -19.864 -7.682 0.078 1.00 0.00 N ATOM 320 CA ARG A 22 -19.022 -8.855 0.239 1.00 0.00 C ATOM 321 C ARG A 22 -18.306 -9.178 -1.075 1.00 0.00 C ATOM 322 O ARG A 22 -18.863 -9.854 -1.939 1.00 0.00 O ATOM 323 CB ARG A 22 -19.845 -10.069 0.675 1.00 0.00 C ATOM 324 CG ARG A 22 -19.001 -11.030 1.514 1.00 0.00 C ATOM 325 CD ARG A 22 -19.788 -12.299 1.850 1.00 0.00 C ATOM 326 NE ARG A 22 -19.451 -12.756 3.217 1.00 0.00 N ATOM 327 CZ ARG A 22 -20.025 -12.281 4.331 1.00 0.00 C ATOM 328 NH1 ARG A 22 -20.967 -11.331 4.246 1.00 0.00 N ATOM 329 NH2 ARG A 22 -19.657 -12.754 5.529 1.00 0.00 N ATOM 0 H ARG A 22 -19.516 -6.841 0.538 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.287 -8.632 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.709 -9.739 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -20.228 -10.588 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.094 -11.293 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.689 -10.537 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.858 -12.104 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.557 -13.082 1.128 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.737 -13.478 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.247 -10.970 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.404 -10.969 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.940 -13.476 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.094 -12.392 6.376 1.00 0.00 H new ATOM 343 N ARG A 23 -17.084 -8.680 -1.183 1.00 0.00 N ATOM 344 CA ARG A 23 -16.286 -8.907 -2.376 1.00 0.00 C ATOM 345 C ARG A 23 -15.481 -10.201 -2.239 1.00 0.00 C ATOM 346 O ARG A 23 -15.653 -11.130 -3.027 1.00 0.00 O ATOM 347 CB ARG A 23 -15.327 -7.742 -2.628 1.00 0.00 C ATOM 348 CG ARG A 23 -15.007 -7.607 -4.118 1.00 0.00 C ATOM 349 CD ARG A 23 -13.498 -7.506 -4.348 1.00 0.00 C ATOM 350 NE ARG A 23 -13.200 -6.380 -5.261 1.00 0.00 N ATOM 351 CZ ARG A 23 -13.356 -6.430 -6.591 1.00 0.00 C ATOM 352 NH1 ARG A 23 -13.808 -7.550 -7.171 1.00 0.00 N ATOM 353 NH2 ARG A 23 -13.060 -5.359 -7.341 1.00 0.00 N ATOM 0 H ARG A 23 -16.626 -8.120 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.970 -8.989 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.770 -6.816 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.405 -7.897 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.404 -8.467 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.500 -6.722 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.986 -7.359 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.123 -8.438 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.854 -5.512 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.033 -8.365 -6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.927 -7.588 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.716 -4.506 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.179 -5.397 -8.353 1.00 0.00 H new ATOM 367 N GLY A 24 -14.621 -10.221 -1.231 1.00 0.00 N ATOM 368 CA GLY A 24 -13.789 -11.385 -0.980 1.00 0.00 C ATOM 369 C GLY A 24 -13.299 -11.407 0.469 1.00 0.00 C ATOM 370 O GLY A 24 -14.019 -11.845 1.365 1.00 0.00 O ATOM 0 H GLY A 24 -14.483 -9.449 -0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.355 -12.293 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.934 -11.378 -1.657 1.00 0.00 H new ATOM 374 N GLY A 25 -12.077 -10.929 0.654 1.00 0.00 N ATOM 375 CA GLY A 25 -11.482 -10.888 1.979 1.00 0.00 C ATOM 376 C GLY A 25 -10.278 -9.945 2.011 1.00 0.00 C ATOM 377 O GLY A 25 -10.358 -8.814 1.533 1.00 0.00 O ATOM 0 H GLY A 25 -11.483 -10.567 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.225 -10.559 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.171 -11.890 2.273 1.00 0.00 H new ATOM 381 N VAL A 26 -9.190 -10.445 2.577 1.00 0.00 N ATOM 382 CA VAL A 26 -7.970 -9.661 2.677 1.00 0.00 C ATOM 383 C VAL A 26 -6.801 -10.471 2.114 1.00 0.00 C ATOM 384 O VAL A 26 -6.163 -11.233 2.839 1.00 0.00 O ATOM 385 CB VAL A 26 -7.749 -9.220 4.125 1.00 0.00 C ATOM 386 CG1 VAL A 26 -8.863 -8.278 4.587 1.00 0.00 C ATOM 387 CG2 VAL A 26 -7.632 -10.429 5.056 1.00 0.00 C ATOM 0 H VAL A 26 -9.127 -11.384 2.971 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.051 -8.751 2.083 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.807 -8.673 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.682 -7.979 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.878 -7.393 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.823 -8.790 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.475 -10.087 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.549 -11.017 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.788 -11.046 4.747 1.00 0.00 H new ATOM 397 N PRO A 27 -6.549 -10.274 0.792 1.00 0.00 N ATOM 398 CA PRO A 27 -5.468 -10.978 0.124 1.00 0.00 C ATOM 399 C PRO A 27 -4.110 -10.386 0.506 1.00 0.00 C ATOM 400 O PRO A 27 -3.251 -11.087 1.041 1.00 0.00 O ATOM 401 CB PRO A 27 -5.774 -10.851 -1.360 1.00 0.00 C ATOM 402 CG PRO A 27 -6.752 -9.695 -1.486 1.00 0.00 C ATOM 403 CD PRO A 27 -7.284 -9.380 -0.097 1.00 0.00 C ATOM 0 HA PRO A 27 -5.405 -12.026 0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.866 -10.658 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.206 -11.773 -1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.258 -8.822 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.570 -9.958 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.116 -8.335 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.358 -9.555 -0.035 1.00 0.00 H new ATOM 411 N SER A 28 -3.957 -9.102 0.218 1.00 0.00 N ATOM 412 CA SER A 28 -2.718 -8.408 0.525 1.00 0.00 C ATOM 413 C SER A 28 -2.812 -6.948 0.080 1.00 0.00 C ATOM 414 O SER A 28 -2.768 -6.039 0.908 1.00 0.00 O ATOM 415 CB SER A 28 -1.524 -9.091 -0.144 1.00 0.00 C ATOM 416 OG SER A 28 -1.804 -9.457 -1.493 1.00 0.00 O ATOM 0 H SER A 28 -4.671 -8.524 -0.225 1.00 0.00 H new ATOM 0 HA SER A 28 -2.565 -8.443 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.664 -8.422 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.251 -9.981 0.424 1.00 0.00 H new ATOM 0 HG SER A 28 -1.016 -9.889 -1.885 1.00 0.00 H new ATOM 422 N LEU A 29 -2.938 -6.767 -1.227 1.00 0.00 N ATOM 423 CA LEU A 29 -3.039 -5.433 -1.792 1.00 0.00 C ATOM 424 C LEU A 29 -3.962 -4.581 -0.917 1.00 0.00 C ATOM 425 O LEU A 29 -3.602 -3.472 -0.525 1.00 0.00 O ATOM 426 CB LEU A 29 -3.472 -5.503 -3.257 1.00 0.00 C ATOM 427 CG LEU A 29 -2.588 -4.751 -4.255 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.826 -5.249 -5.682 1.00 0.00 C ATOM 429 CD2 LEU A 29 -2.789 -3.239 -4.135 1.00 0.00 C ATOM 0 H LEU A 29 -2.972 -7.523 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.064 -4.946 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.511 -6.551 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.487 -5.112 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.546 -4.958 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.186 -4.698 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.592 -6.312 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.870 -5.092 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.149 -2.729 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.831 -2.993 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.530 -2.916 -3.127 1.00 0.00 H new ATOM 441 N ILE A 30 -5.134 -5.133 -0.638 1.00 0.00 N ATOM 442 CA ILE A 30 -6.111 -4.438 0.183 1.00 0.00 C ATOM 443 C ILE A 30 -5.437 -3.948 1.466 1.00 0.00 C ATOM 444 O ILE A 30 -5.560 -2.779 1.829 1.00 0.00 O ATOM 445 CB ILE A 30 -7.331 -5.327 0.431 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.333 -5.216 -0.721 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.974 -5.011 1.783 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.033 -6.246 -1.811 1.00 0.00 C ATOM 0 H ILE A 30 -5.429 -6.053 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.487 -3.557 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.997 -6.364 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.344 -5.365 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.296 -4.212 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.839 -5.657 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.250 -5.182 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.292 -3.969 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.760 -6.145 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.030 -6.079 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.095 -7.250 -1.390 1.00 0.00 H new ATOM 460 N ALA A 31 -4.739 -4.866 2.118 1.00 0.00 N ATOM 461 CA ALA A 31 -4.045 -4.542 3.353 1.00 0.00 C ATOM 462 C ALA A 31 -3.098 -3.366 3.107 1.00 0.00 C ATOM 463 O ALA A 31 -2.905 -2.526 3.984 1.00 0.00 O ATOM 464 CB ALA A 31 -3.313 -5.783 3.868 1.00 0.00 C ATOM 0 H ALA A 31 -4.639 -5.835 1.814 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.754 -4.239 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.792 -5.540 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.034 -6.579 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.591 -6.115 3.122 1.00 0.00 H new ATOM 470 N GLY A 32 -2.532 -3.344 1.909 1.00 0.00 N ATOM 471 CA GLY A 32 -1.609 -2.285 1.537 1.00 0.00 C ATOM 472 C GLY A 32 -2.349 -0.962 1.326 1.00 0.00 C ATOM 473 O GLY A 32 -1.786 0.110 1.543 1.00 0.00 O ATOM 0 H GLY A 32 -2.695 -4.042 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.856 -2.164 2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.082 -2.561 0.624 1.00 0.00 H new ATOM 477 N LEU A 33 -3.600 -1.081 0.905 1.00 0.00 N ATOM 478 CA LEU A 33 -4.423 0.091 0.663 1.00 0.00 C ATOM 479 C LEU A 33 -4.828 0.711 2.002 1.00 0.00 C ATOM 480 O LEU A 33 -4.766 1.927 2.171 1.00 0.00 O ATOM 481 CB LEU A 33 -5.610 -0.264 -0.235 1.00 0.00 C ATOM 482 CG LEU A 33 -5.465 0.101 -1.714 1.00 0.00 C ATOM 483 CD1 LEU A 33 -4.982 -1.100 -2.529 1.00 0.00 C ATOM 484 CD2 LEU A 33 -6.768 0.681 -2.266 1.00 0.00 C ATOM 0 H LEU A 33 -4.063 -1.972 0.725 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.857 0.848 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.787 -1.337 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.498 0.233 0.156 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.705 0.877 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.887 -0.814 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.013 -1.429 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.701 -1.914 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.637 0.932 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.566 -0.055 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.031 1.580 -1.709 1.00 0.00 H new ATOM 496 N PHE A 34 -5.233 -0.155 2.920 1.00 0.00 N ATOM 497 CA PHE A 34 -5.648 0.292 4.238 1.00 0.00 C ATOM 498 C PHE A 34 -4.479 0.925 4.996 1.00 0.00 C ATOM 499 O PHE A 34 -4.634 1.974 5.619 1.00 0.00 O ATOM 500 CB PHE A 34 -6.124 -0.946 5.001 1.00 0.00 C ATOM 501 CG PHE A 34 -7.133 -0.644 6.111 1.00 0.00 C ATOM 502 CD1 PHE A 34 -8.342 -0.103 5.802 1.00 0.00 C ATOM 503 CD2 PHE A 34 -6.821 -0.916 7.406 1.00 0.00 C ATOM 504 CE1 PHE A 34 -9.278 0.178 6.832 1.00 0.00 C ATOM 505 CE2 PHE A 34 -7.757 -0.636 8.436 1.00 0.00 C ATOM 506 CZ PHE A 34 -8.966 -0.095 8.127 1.00 0.00 C ATOM 0 H PHE A 34 -5.282 -1.164 2.776 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.435 1.041 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.574 -1.644 4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.259 -1.446 5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.590 0.113 4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.861 -1.345 7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.238 0.609 6.587 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.509 -0.853 9.465 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.678 0.118 8.910 1.00 0.00 H new ATOM 516 N VAL A 35 -3.336 0.260 4.918 1.00 0.00 N ATOM 517 CA VAL A 35 -2.141 0.744 5.588 1.00 0.00 C ATOM 518 C VAL A 35 -1.762 2.113 5.019 1.00 0.00 C ATOM 519 O VAL A 35 -1.686 3.096 5.755 1.00 0.00 O ATOM 520 CB VAL A 35 -1.017 -0.287 5.465 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.345 0.352 5.738 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.261 -1.477 6.395 1.00 0.00 C ATOM 0 H VAL A 35 -3.212 -0.610 4.401 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.327 0.875 6.654 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.013 -0.658 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.126 -0.402 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.523 1.151 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.358 0.764 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.448 -2.195 6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.305 -1.129 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.205 -1.956 6.133 1.00 0.00 H new ATOM 532 N GLY A 36 -1.533 2.133 3.714 1.00 0.00 N ATOM 533 CA GLY A 36 -1.163 3.365 3.038 1.00 0.00 C ATOM 534 C GLY A 36 -2.123 4.499 3.402 1.00 0.00 C ATOM 535 O GLY A 36 -1.695 5.627 3.641 1.00 0.00 O ATOM 0 H GLY A 36 -1.597 1.316 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.145 3.643 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.171 3.209 1.959 1.00 0.00 H new ATOM 539 N CYS A 37 -3.404 4.161 3.431 1.00 0.00 N ATOM 540 CA CYS A 37 -4.428 5.137 3.761 1.00 0.00 C ATOM 541 C CYS A 37 -4.154 5.664 5.171 1.00 0.00 C ATOM 542 O CYS A 37 -3.877 6.849 5.352 1.00 0.00 O ATOM 543 CB CYS A 37 -5.834 4.546 3.636 1.00 0.00 C ATOM 544 SG CYS A 37 -6.992 5.813 3.003 1.00 0.00 S ATOM 0 H CYS A 37 -3.756 3.225 3.231 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.388 5.963 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.818 3.688 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.173 4.184 4.607 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.182 5.300 2.899 1.00 0.00 H new ATOM 550 N LEU A 38 -4.240 4.758 6.134 1.00 0.00 N ATOM 551 CA LEU A 38 -4.004 5.116 7.522 1.00 0.00 C ATOM 552 C LEU A 38 -2.819 6.080 7.601 1.00 0.00 C ATOM 553 O LEU A 38 -2.870 7.075 8.323 1.00 0.00 O ATOM 554 CB LEU A 38 -3.832 3.860 8.378 1.00 0.00 C ATOM 555 CG LEU A 38 -3.325 4.084 9.804 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.485 4.105 10.801 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.266 3.045 10.179 1.00 0.00 C ATOM 0 H LEU A 38 -4.470 3.776 5.980 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.868 5.638 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.792 3.347 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.140 3.189 7.869 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.846 5.062 9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.097 4.266 11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.171 4.912 10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.014 3.153 10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.922 3.227 11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.697 2.046 10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.423 3.121 9.493 1.00 0.00 H new ATOM 569 N ALA A 39 -1.779 5.752 6.848 1.00 0.00 N ATOM 570 CA ALA A 39 -0.583 6.577 6.824 1.00 0.00 C ATOM 571 C ALA A 39 -0.955 7.995 6.387 1.00 0.00 C ATOM 572 O ALA A 39 -1.016 8.906 7.212 1.00 0.00 O ATOM 573 CB ALA A 39 0.459 5.938 5.904 1.00 0.00 C ATOM 0 H ALA A 39 -1.740 4.926 6.250 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.143 6.644 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.356 6.557 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.711 4.944 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.053 5.857 4.896 1.00 0.00 H new ATOM 579 N GLY A 40 -1.194 8.138 5.092 1.00 0.00 N ATOM 580 CA GLY A 40 -1.559 9.430 4.536 1.00 0.00 C ATOM 581 C GLY A 40 -2.688 10.075 5.342 1.00 0.00 C ATOM 582 O GLY A 40 -2.465 11.048 6.061 1.00 0.00 O ATOM 0 H GLY A 40 -1.142 7.380 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.689 10.087 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.871 9.308 3.499 1.00 0.00 H new ATOM 586 N TYR A 41 -3.876 9.506 5.197 1.00 0.00 N ATOM 587 CA TYR A 41 -5.040 10.013 5.902 1.00 0.00 C ATOM 588 C TYR A 41 -4.667 10.479 7.311 1.00 0.00 C ATOM 589 O TYR A 41 -4.812 11.655 7.639 1.00 0.00 O ATOM 590 CB TYR A 41 -6.015 8.839 6.007 1.00 0.00 C ATOM 591 CG TYR A 41 -7.488 9.246 5.955 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.109 9.736 7.086 1.00 0.00 C ATOM 593 CD2 TYR A 41 -8.197 9.124 4.777 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.496 10.120 7.037 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.584 9.508 4.728 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.165 9.987 5.860 1.00 0.00 C ATOM 597 OH TYR A 41 -11.475 10.349 5.814 1.00 0.00 O ATOM 0 H TYR A 41 -4.057 8.698 4.601 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.468 10.865 5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.813 8.139 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.828 8.308 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.555 9.831 8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.711 8.740 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.994 10.505 7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.150 9.418 3.813 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.824 10.201 4.910 1.00 0.00 H new ATOM 607 N GLY A 42 -4.194 9.531 8.107 1.00 0.00 N ATOM 608 CA GLY A 42 -3.800 9.829 9.473 1.00 0.00 C ATOM 609 C GLY A 42 -2.918 11.077 9.530 1.00 0.00 C ATOM 610 O GLY A 42 -3.173 11.987 10.317 1.00 0.00 O ATOM 0 H GLY A 42 -4.075 8.556 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.688 9.979 10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.262 8.980 9.893 1.00 0.00 H new ATOM 614 N ALA A 43 -1.897 11.081 8.684 1.00 0.00 N ATOM 615 CA ALA A 43 -0.976 12.202 8.627 1.00 0.00 C ATOM 616 C ALA A 43 -1.770 13.502 8.482 1.00 0.00 C ATOM 617 O ALA A 43 -1.428 14.514 9.091 1.00 0.00 O ATOM 618 CB ALA A 43 0.014 11.993 7.480 1.00 0.00 C ATOM 0 H ALA A 43 -1.688 10.324 8.032 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.397 12.270 9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.705 12.835 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.573 11.072 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.530 11.923 6.538 1.00 0.00 H new ATOM 624 N TYR A 44 -2.815 13.432 7.671 1.00 0.00 N ATOM 625 CA TYR A 44 -3.660 14.591 7.437 1.00 0.00 C ATOM 626 C TYR A 44 -4.545 14.877 8.652 1.00 0.00 C ATOM 627 O TYR A 44 -4.904 16.026 8.906 1.00 0.00 O ATOM 628 CB TYR A 44 -4.550 14.230 6.246 1.00 0.00 C ATOM 629 CG TYR A 44 -5.262 15.429 5.615 1.00 0.00 C ATOM 630 CD1 TYR A 44 -4.540 16.550 5.258 1.00 0.00 C ATOM 631 CD2 TYR A 44 -6.625 15.389 5.403 1.00 0.00 C ATOM 632 CE1 TYR A 44 -5.209 17.678 4.665 1.00 0.00 C ATOM 633 CE2 TYR A 44 -7.294 16.517 4.809 1.00 0.00 C ATOM 634 CZ TYR A 44 -6.553 17.606 4.469 1.00 0.00 C ATOM 635 OH TYR A 44 -7.186 18.672 3.909 1.00 0.00 O ATOM 0 H TYR A 44 -3.096 12.591 7.167 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.054 15.478 7.252 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.941 13.741 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.297 13.506 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.473 16.581 5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.190 14.512 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.656 18.562 4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.360 16.499 4.637 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.143 18.479 3.829 1.00 0.00 H new ATOM 645 N ARG A 45 -4.873 13.813 9.370 1.00 0.00 N ATOM 646 CA ARG A 45 -5.709 13.935 10.552 1.00 0.00 C ATOM 647 C ARG A 45 -4.931 14.608 11.685 1.00 0.00 C ATOM 648 O ARG A 45 -5.419 15.553 12.302 1.00 0.00 O ATOM 649 CB ARG A 45 -6.201 12.566 11.022 1.00 0.00 C ATOM 650 CG ARG A 45 -7.539 12.210 10.371 1.00 0.00 C ATOM 651 CD ARG A 45 -8.701 12.456 11.335 1.00 0.00 C ATOM 652 NE ARG A 45 -9.447 11.198 11.561 1.00 0.00 N ATOM 653 CZ ARG A 45 -10.645 11.132 12.157 1.00 0.00 C ATOM 654 NH1 ARG A 45 -11.241 12.251 12.591 1.00 0.00 N ATOM 655 NH2 ARG A 45 -11.248 9.946 12.319 1.00 0.00 N ATOM 0 H ARG A 45 -4.575 12.862 9.156 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.572 14.546 10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.460 11.806 10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.309 12.567 12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.678 12.805 9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.531 11.164 10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.323 12.839 12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.368 13.216 10.927 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.022 10.327 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.783 13.154 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.153 12.200 13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.795 9.094 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.160 9.895 12.773 1.00 0.00 H new ATOM 669 N VAL A 46 -3.734 14.092 11.925 1.00 0.00 N ATOM 670 CA VAL A 46 -2.884 14.631 12.973 1.00 0.00 C ATOM 671 C VAL A 46 -2.186 15.892 12.460 1.00 0.00 C ATOM 672 O VAL A 46 -2.227 16.936 13.109 1.00 0.00 O ATOM 673 CB VAL A 46 -1.904 13.559 13.454 1.00 0.00 C ATOM 674 CG1 VAL A 46 -2.647 12.294 13.890 1.00 0.00 C ATOM 675 CG2 VAL A 46 -0.865 13.242 12.377 1.00 0.00 C ATOM 0 H VAL A 46 -3.333 13.307 11.412 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.481 14.919 13.838 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.375 13.953 14.322 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.928 11.548 14.227 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.329 12.535 14.705 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.214 11.897 13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.181 12.477 12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.369 12.878 11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.304 14.145 12.136 1.00 0.00 H new ATOM 685 N SER A 47 -1.561 15.753 11.300 1.00 0.00 N ATOM 686 CA SER A 47 -0.854 16.868 10.693 1.00 0.00 C ATOM 687 C SER A 47 -0.126 17.675 11.769 1.00 0.00 C ATOM 688 O SER A 47 -0.609 18.722 12.199 1.00 0.00 O ATOM 689 CB SER A 47 -1.814 17.769 9.912 1.00 0.00 C ATOM 690 OG SER A 47 -1.420 17.916 8.551 1.00 0.00 O ATOM 0 H SER A 47 -1.529 14.885 10.765 1.00 0.00 H new ATOM 0 HA SER A 47 -0.122 16.467 9.992 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.820 17.351 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.856 18.750 10.385 1.00 0.00 H new ATOM 0 HG SER A 47 -2.059 18.496 8.086 1.00 0.00 H new ATOM 696 N ASN A 48 1.025 17.158 12.174 1.00 0.00 N ATOM 697 CA ASN A 48 1.825 17.818 13.192 1.00 0.00 C ATOM 698 C ASN A 48 3.250 18.007 12.671 1.00 0.00 C ATOM 699 O ASN A 48 3.808 19.100 12.761 1.00 0.00 O ATOM 700 CB ASN A 48 1.895 16.976 14.468 1.00 0.00 C ATOM 701 CG ASN A 48 1.071 17.611 15.590 1.00 0.00 C ATOM 702 OD1 ASN A 48 -0.100 17.918 15.438 1.00 0.00 O ATOM 703 ND2 ASN A 48 1.745 17.791 16.722 1.00 0.00 N ATOM 0 H ASN A 48 1.423 16.290 11.816 1.00 0.00 H new ATOM 0 HA ASN A 48 1.360 18.777 13.418 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.526 15.971 14.265 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.933 16.876 14.786 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.283 18.208 17.530 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.724 17.512 16.783 1.00 0.00 H new ATOM 710 N ASP A 49 3.800 16.926 12.138 1.00 0.00 N ATOM 711 CA ASP A 49 5.151 16.959 11.603 1.00 0.00 C ATOM 712 C ASP A 49 5.120 17.543 10.189 1.00 0.00 C ATOM 713 O ASP A 49 5.809 18.521 9.903 1.00 0.00 O ATOM 714 CB ASP A 49 5.745 15.551 11.520 1.00 0.00 C ATOM 715 CG ASP A 49 4.808 14.486 10.947 1.00 0.00 C ATOM 716 OD1 ASP A 49 3.938 14.021 11.778 1.00 0.00 O ATOM 717 OD2 ASP A 49 4.904 14.121 9.766 1.00 0.00 O ATOM 0 H ASP A 49 3.335 16.021 12.065 1.00 0.00 H new ATOM 0 HA ASP A 49 5.762 17.570 12.267 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.646 15.589 10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.052 15.243 12.519 1.00 0.00 H new ATOM 780 N VAL A 53 3.772 12.978 0.218 1.00 0.00 N ATOM 781 CA VAL A 53 3.894 11.612 -0.263 1.00 0.00 C ATOM 782 C VAL A 53 4.981 10.890 0.537 1.00 0.00 C ATOM 783 O VAL A 53 4.983 9.663 0.620 1.00 0.00 O ATOM 784 CB VAL A 53 4.159 11.609 -1.770 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.401 12.435 -2.109 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.288 10.180 -2.301 1.00 0.00 C ATOM 0 HA VAL A 53 2.962 11.068 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 53 3.304 12.073 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.567 12.417 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.254 13.464 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.268 12.013 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.476 10.206 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.116 9.679 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.364 9.635 -2.108 1.00 0.00 H new ATOM 796 N LYS A 54 5.879 11.682 1.104 1.00 0.00 N ATOM 797 CA LYS A 54 6.968 11.134 1.893 1.00 0.00 C ATOM 798 C LYS A 54 6.442 9.980 2.749 1.00 0.00 C ATOM 799 O LYS A 54 7.083 8.935 2.850 1.00 0.00 O ATOM 800 CB LYS A 54 7.651 12.238 2.703 1.00 0.00 C ATOM 801 CG LYS A 54 9.094 12.446 2.239 1.00 0.00 C ATOM 802 CD LYS A 54 10.001 11.323 2.746 1.00 0.00 C ATOM 803 CE LYS A 54 10.917 10.813 1.631 1.00 0.00 C ATOM 804 NZ LYS A 54 12.002 11.785 1.367 1.00 0.00 N ATOM 0 H LYS A 54 5.874 12.699 1.032 1.00 0.00 H new ATOM 0 HA LYS A 54 7.740 10.723 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.094 13.169 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.640 11.977 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.128 12.482 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.461 13.406 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.603 11.685 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.392 10.502 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.344 9.851 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.338 10.650 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.614 11.424 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.590 12.695 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.565 11.920 2.231 1.00 0.00 H new ATOM 818 N VAL A 55 5.280 10.207 3.343 1.00 0.00 N ATOM 819 CA VAL A 55 4.660 9.199 4.186 1.00 0.00 C ATOM 820 C VAL A 55 4.777 7.832 3.509 1.00 0.00 C ATOM 821 O VAL A 55 5.279 6.881 4.106 1.00 0.00 O ATOM 822 CB VAL A 55 3.214 9.592 4.494 1.00 0.00 C ATOM 823 CG1 VAL A 55 3.154 10.934 5.227 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.371 9.627 3.218 1.00 0.00 C ATOM 0 H VAL A 55 4.751 11.075 3.257 1.00 0.00 H new ATOM 0 HA VAL A 55 5.176 9.132 5.144 1.00 0.00 H new ATOM 0 HB VAL A 55 2.794 8.831 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.115 11.190 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.703 10.861 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.601 11.709 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.348 9.909 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.791 10.356 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.373 8.641 2.753 1.00 0.00 H new ATOM 834 N SER A 56 4.306 7.778 2.272 1.00 0.00 N ATOM 835 CA SER A 56 4.351 6.543 1.508 1.00 0.00 C ATOM 836 C SER A 56 5.756 5.941 1.570 1.00 0.00 C ATOM 837 O SER A 56 5.912 4.740 1.789 1.00 0.00 O ATOM 838 CB SER A 56 3.939 6.779 0.054 1.00 0.00 C ATOM 839 OG SER A 56 3.634 5.561 -0.620 1.00 0.00 O ATOM 0 H SER A 56 3.891 8.569 1.780 1.00 0.00 H new ATOM 0 HA SER A 56 3.642 5.842 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.070 7.436 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.744 7.292 -0.472 1.00 0.00 H new ATOM 0 HG SER A 56 3.374 5.755 -1.545 1.00 0.00 H new ATOM 845 N LEU A 57 6.744 6.802 1.373 1.00 0.00 N ATOM 846 CA LEU A 57 8.131 6.370 1.404 1.00 0.00 C ATOM 847 C LEU A 57 8.427 5.715 2.755 1.00 0.00 C ATOM 848 O LEU A 57 9.144 4.718 2.821 1.00 0.00 O ATOM 849 CB LEU A 57 9.063 7.536 1.068 1.00 0.00 C ATOM 850 CG LEU A 57 9.801 7.441 -0.269 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.700 6.204 -0.313 1.00 0.00 C ATOM 852 CD2 LEU A 57 8.818 7.477 -1.441 1.00 0.00 C ATOM 0 H LEU A 57 6.611 7.797 1.191 1.00 0.00 H new ATOM 0 HA LEU A 57 8.312 5.616 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.478 8.456 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.803 7.625 1.863 1.00 0.00 H new ATOM 0 HG LEU A 57 10.449 8.313 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.213 6.161 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.436 6.261 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.093 5.308 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.368 7.408 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.127 6.637 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.257 8.411 -1.417 1.00 0.00 H new ATOM 864 N PHE A 58 7.860 6.303 3.798 1.00 0.00 N ATOM 865 CA PHE A 58 8.054 5.789 5.143 1.00 0.00 C ATOM 866 C PHE A 58 7.209 4.535 5.379 1.00 0.00 C ATOM 867 O PHE A 58 7.488 3.757 6.289 1.00 0.00 O ATOM 868 CB PHE A 58 7.600 6.885 6.110 1.00 0.00 C ATOM 869 CG PHE A 58 7.499 6.427 7.566 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.409 5.731 7.987 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.501 6.715 8.440 1.00 0.00 C ATOM 872 CE1 PHE A 58 6.316 5.306 9.339 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.408 6.290 9.792 1.00 0.00 C ATOM 874 CZ PHE A 58 7.317 5.595 10.213 1.00 0.00 C ATOM 0 H PHE A 58 7.266 7.130 3.739 1.00 0.00 H new ATOM 0 HA PHE A 58 9.100 5.522 5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.298 7.720 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.628 7.259 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.614 5.501 7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.367 7.267 8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.450 4.753 9.673 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.203 6.519 10.486 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.246 5.273 11.241 1.00 0.00 H new ATOM 884 N THR A 59 6.193 4.379 4.542 1.00 0.00 N ATOM 885 CA THR A 59 5.306 3.234 4.648 1.00 0.00 C ATOM 886 C THR A 59 5.972 1.988 4.060 1.00 0.00 C ATOM 887 O THR A 59 5.859 0.897 4.619 1.00 0.00 O ATOM 888 CB THR A 59 3.984 3.595 3.967 1.00 0.00 C ATOM 889 OG1 THR A 59 3.383 4.535 4.853 1.00 0.00 O ATOM 890 CG2 THR A 59 3.000 2.424 3.942 1.00 0.00 C ATOM 0 H THR A 59 5.965 5.027 3.788 1.00 0.00 H new ATOM 0 HA THR A 59 5.096 2.991 5.690 1.00 0.00 H new ATOM 0 HB THR A 59 4.179 3.927 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.848 5.395 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.079 2.733 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.441 1.589 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.778 2.114 4.963 1.00 0.00 H new ATOM 898 N ALA A 60 6.651 2.191 2.941 1.00 0.00 N ATOM 899 CA ALA A 60 7.335 1.098 2.272 1.00 0.00 C ATOM 900 C ALA A 60 8.634 0.782 3.017 1.00 0.00 C ATOM 901 O ALA A 60 8.999 -0.383 3.168 1.00 0.00 O ATOM 902 CB ALA A 60 7.579 1.468 0.808 1.00 0.00 C ATOM 0 H ALA A 60 6.742 3.097 2.481 1.00 0.00 H new ATOM 0 HA ALA A 60 6.721 0.198 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.092 0.648 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.624 1.654 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.194 2.366 0.757 1.00 0.00 H new ATOM 908 N PHE A 61 9.295 1.840 3.464 1.00 0.00 N ATOM 909 CA PHE A 61 10.544 1.690 4.189 1.00 0.00 C ATOM 910 C PHE A 61 10.320 0.982 5.527 1.00 0.00 C ATOM 911 O PHE A 61 11.035 0.039 5.862 1.00 0.00 O ATOM 912 CB PHE A 61 11.080 3.098 4.454 1.00 0.00 C ATOM 913 CG PHE A 61 12.552 3.137 4.868 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.940 2.595 6.054 1.00 0.00 C ATOM 915 CD2 PHE A 61 13.474 3.713 4.050 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.306 2.631 6.438 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.840 3.748 4.434 1.00 0.00 C ATOM 918 CZ PHE A 61 15.228 3.207 5.621 1.00 0.00 C ATOM 0 H PHE A 61 8.988 2.805 3.338 1.00 0.00 H new ATOM 0 HA PHE A 61 11.243 1.092 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.950 3.700 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.481 3.562 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.208 2.137 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.167 4.144 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.613 2.201 7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 61 15.572 4.204 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 61 16.267 3.235 5.914 1.00 0.00 H new ATOM 928 N PHE A 62 9.324 1.465 6.256 1.00 0.00 N ATOM 929 CA PHE A 62 8.997 0.890 7.550 1.00 0.00 C ATOM 930 C PHE A 62 8.446 -0.529 7.396 1.00 0.00 C ATOM 931 O PHE A 62 8.893 -1.449 8.079 1.00 0.00 O ATOM 932 CB PHE A 62 7.918 1.778 8.173 1.00 0.00 C ATOM 933 CG PHE A 62 7.585 1.426 9.624 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.625 0.502 9.897 1.00 0.00 C ATOM 935 CD2 PHE A 62 8.248 2.039 10.642 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.316 0.176 11.244 1.00 0.00 C ATOM 937 CE2 PHE A 62 7.939 1.712 11.989 1.00 0.00 C ATOM 938 CZ PHE A 62 6.980 0.788 12.262 1.00 0.00 C ATOM 0 H PHE A 62 8.733 2.248 5.975 1.00 0.00 H new ATOM 0 HA PHE A 62 9.891 0.838 8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.246 2.817 8.128 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.010 1.704 7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.098 0.016 9.089 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.009 2.774 10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.554 -0.558 11.461 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.466 2.198 12.797 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.745 0.540 13.287 1.00 0.00 H new ATOM 948 N LEU A 63 7.485 -0.662 6.494 1.00 0.00 N ATOM 949 CA LEU A 63 6.869 -1.954 6.242 1.00 0.00 C ATOM 950 C LEU A 63 7.961 -2.993 5.984 1.00 0.00 C ATOM 951 O LEU A 63 8.042 -4.001 6.684 1.00 0.00 O ATOM 952 CB LEU A 63 5.842 -1.846 5.113 1.00 0.00 C ATOM 953 CG LEU A 63 5.040 -3.114 4.813 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.571 -2.782 4.543 1.00 0.00 C ATOM 955 CD2 LEU A 63 5.670 -3.904 3.664 1.00 0.00 C ATOM 0 H LEU A 63 7.118 0.103 5.929 1.00 0.00 H new ATOM 0 HA LEU A 63 6.312 -2.288 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.143 -1.047 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.362 -1.545 4.203 1.00 0.00 H new ATOM 0 HG LEU A 63 5.069 -3.753 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.023 -3.701 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.141 -2.296 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.501 -2.113 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.080 -4.800 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.693 -3.285 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.687 -4.190 3.934 1.00 0.00 H new ATOM 967 N ALA A 64 8.774 -2.712 4.976 1.00 0.00 N ATOM 968 CA ALA A 64 9.859 -3.610 4.616 1.00 0.00 C ATOM 969 C ALA A 64 10.698 -3.913 5.859 1.00 0.00 C ATOM 970 O ALA A 64 10.971 -5.073 6.161 1.00 0.00 O ATOM 971 CB ALA A 64 10.687 -2.986 3.491 1.00 0.00 C ATOM 0 H ALA A 64 8.703 -1.875 4.397 1.00 0.00 H new ATOM 0 HA ALA A 64 9.466 -4.557 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.500 -3.660 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.051 -2.818 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.100 -2.035 3.828 1.00 0.00 H new ATOM 977 N THR A 65 11.085 -2.848 6.546 1.00 0.00 N ATOM 978 CA THR A 65 11.888 -2.985 7.750 1.00 0.00 C ATOM 979 C THR A 65 11.193 -3.909 8.752 1.00 0.00 C ATOM 980 O THR A 65 11.853 -4.591 9.534 1.00 0.00 O ATOM 981 CB THR A 65 12.157 -1.583 8.300 1.00 0.00 C ATOM 982 OG1 THR A 65 13.191 -1.074 7.462 1.00 0.00 O ATOM 983 CG2 THR A 65 12.789 -1.613 9.694 1.00 0.00 C ATOM 0 H THR A 65 10.858 -1.887 6.292 1.00 0.00 H new ATOM 0 HA THR A 65 12.848 -3.455 7.535 1.00 0.00 H new ATOM 0 HB THR A 65 11.223 -1.022 8.336 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.794 -0.565 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.959 -0.593 10.038 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.119 -2.123 10.386 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.739 -2.145 9.651 1.00 0.00 H new ATOM 991 N ILE A 66 9.869 -3.901 8.696 1.00 0.00 N ATOM 992 CA ILE A 66 9.077 -4.729 9.590 1.00 0.00 C ATOM 993 C ILE A 66 9.076 -6.170 9.075 1.00 0.00 C ATOM 994 O ILE A 66 8.978 -7.113 9.859 1.00 0.00 O ATOM 995 CB ILE A 66 7.677 -4.139 9.768 1.00 0.00 C ATOM 996 CG1 ILE A 66 7.740 -2.784 10.478 1.00 0.00 C ATOM 997 CG2 ILE A 66 6.755 -5.122 10.491 1.00 0.00 C ATOM 998 CD1 ILE A 66 7.833 -2.964 11.994 1.00 0.00 C ATOM 0 H ILE A 66 9.325 -3.334 8.045 1.00 0.00 H new ATOM 0 HA ILE A 66 9.519 -4.745 10.586 1.00 0.00 H new ATOM 0 HB ILE A 66 7.251 -3.966 8.780 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.603 -2.222 10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.854 -2.198 10.231 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.766 -4.677 10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.675 -6.041 9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.165 -5.349 11.475 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.876 -1.987 12.474 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.956 -3.505 12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.732 -3.529 12.239 1.00 0.00 H new ATOM 1010 N MET A 67 9.186 -6.295 7.760 1.00 0.00 N ATOM 1011 CA MET A 67 9.199 -7.605 7.132 1.00 0.00 C ATOM 1012 C MET A 67 10.477 -8.370 7.484 1.00 0.00 C ATOM 1013 O MET A 67 10.450 -9.589 7.645 1.00 0.00 O ATOM 1014 CB MET A 67 9.102 -7.443 5.613 1.00 0.00 C ATOM 1015 CG MET A 67 7.725 -6.916 5.205 1.00 0.00 C ATOM 1016 SD MET A 67 6.636 -8.280 4.832 1.00 0.00 S ATOM 1017 CE MET A 67 5.636 -7.537 3.553 1.00 0.00 C ATOM 0 H MET A 67 9.267 -5.511 7.113 1.00 0.00 H new ATOM 0 HA MET A 67 8.345 -8.173 7.501 1.00 0.00 H new ATOM 0 HB2 MET A 67 9.875 -6.757 5.267 1.00 0.00 H new ATOM 0 HB3 MET A 67 9.286 -8.402 5.129 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.304 -6.313 6.010 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.818 -6.266 4.335 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.241 -8.316 2.901 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.809 -6.992 4.008 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.246 -6.849 2.968 1.00 0.00 H new ATOM 1027 N GLY A 68 11.565 -7.622 7.592 1.00 0.00 N ATOM 1028 CA GLY A 68 12.850 -8.214 7.922 1.00 0.00 C ATOM 1029 C GLY A 68 13.952 -7.678 7.005 1.00 0.00 C ATOM 1030 O GLY A 68 14.683 -6.761 7.377 1.00 0.00 O ATOM 0 H GLY A 68 11.583 -6.611 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.099 -7.997 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.790 -9.298 7.829 1.00 0.00 H new ATOM 1231 N PRO A 79 5.117 -10.615 -1.847 1.00 0.00 N ATOM 1232 CA PRO A 79 6.201 -9.686 -1.576 1.00 0.00 C ATOM 1233 C PRO A 79 6.343 -8.665 -2.707 1.00 0.00 C ATOM 1234 O PRO A 79 6.249 -7.460 -2.475 1.00 0.00 O ATOM 1235 CB PRO A 79 7.434 -10.559 -1.407 1.00 0.00 C ATOM 1236 CG PRO A 79 7.089 -11.895 -2.044 1.00 0.00 C ATOM 1237 CD PRO A 79 5.586 -11.933 -2.264 1.00 0.00 C ATOM 0 HA PRO A 79 6.028 -9.086 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.301 -10.108 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.684 -10.682 -0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.616 -12.014 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.401 -12.717 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.344 -12.127 -3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.120 -12.724 -1.676 1.00 0.00 H new ATOM 1245 N ALA A 80 6.568 -9.183 -3.905 1.00 0.00 N ATOM 1246 CA ALA A 80 6.724 -8.331 -5.072 1.00 0.00 C ATOM 1247 C ALA A 80 5.436 -7.535 -5.292 1.00 0.00 C ATOM 1248 O ALA A 80 5.466 -6.307 -5.366 1.00 0.00 O ATOM 1249 CB ALA A 80 7.094 -9.188 -6.284 1.00 0.00 C ATOM 0 H ALA A 80 6.646 -10.182 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 80 7.532 -7.616 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.211 -8.549 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.031 -9.710 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.304 -9.916 -6.469 1.00 0.00 H new ATOM 1255 N GLY A 81 4.336 -8.266 -5.391 1.00 0.00 N ATOM 1256 CA GLY A 81 3.040 -7.643 -5.602 1.00 0.00 C ATOM 1257 C GLY A 81 2.900 -6.372 -4.763 1.00 0.00 C ATOM 1258 O GLY A 81 2.547 -5.315 -5.285 1.00 0.00 O ATOM 0 H GLY A 81 4.315 -9.284 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.916 -7.402 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.248 -8.345 -5.340 1.00 0.00 H new ATOM 1262 N LEU A 82 3.183 -6.516 -3.477 1.00 0.00 N ATOM 1263 CA LEU A 82 3.093 -5.392 -2.560 1.00 0.00 C ATOM 1264 C LEU A 82 3.838 -4.194 -3.154 1.00 0.00 C ATOM 1265 O LEU A 82 3.297 -3.091 -3.216 1.00 0.00 O ATOM 1266 CB LEU A 82 3.586 -5.794 -1.169 1.00 0.00 C ATOM 1267 CG LEU A 82 2.667 -5.431 -0.001 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.518 -3.914 0.129 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.313 -6.131 -0.130 1.00 0.00 C ATOM 0 H LEU A 82 3.475 -7.394 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 82 2.054 -5.090 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.745 -6.872 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.557 -5.327 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 82 3.128 -5.789 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.860 -3.684 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.496 -3.466 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.091 -3.510 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.679 -5.856 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.833 -5.826 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.461 -7.211 -0.135 1.00 0.00 H new ATOM 1281 N VAL A 83 5.067 -4.452 -3.575 1.00 0.00 N ATOM 1282 CA VAL A 83 5.891 -3.409 -4.162 1.00 0.00 C ATOM 1283 C VAL A 83 5.170 -2.815 -5.373 1.00 0.00 C ATOM 1284 O VAL A 83 5.264 -1.616 -5.630 1.00 0.00 O ATOM 1285 CB VAL A 83 7.275 -3.966 -4.504 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.121 -2.921 -5.234 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.989 -4.469 -3.248 1.00 0.00 C ATOM 0 H VAL A 83 5.512 -5.368 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 83 6.048 -2.600 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 83 7.139 -4.815 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.099 -3.342 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.623 -2.631 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.245 -2.044 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.970 -4.860 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.108 -3.646 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.398 -5.260 -2.786 1.00 0.00 H new ATOM 1297 N ALA A 84 4.465 -3.682 -6.086 1.00 0.00 N ATOM 1298 CA ALA A 84 3.728 -3.259 -7.264 1.00 0.00 C ATOM 1299 C ALA A 84 2.573 -2.350 -6.838 1.00 0.00 C ATOM 1300 O ALA A 84 2.164 -1.466 -7.590 1.00 0.00 O ATOM 1301 CB ALA A 84 3.247 -4.490 -8.035 1.00 0.00 C ATOM 0 H ALA A 84 4.389 -4.676 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 84 4.370 -2.686 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.694 -4.172 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.106 -5.087 -8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.597 -5.089 -7.396 1.00 0.00 H new ATOM 1307 N GLY A 85 2.079 -2.599 -5.634 1.00 0.00 N ATOM 1308 CA GLY A 85 0.979 -1.814 -5.099 1.00 0.00 C ATOM 1309 C GLY A 85 1.440 -0.402 -4.734 1.00 0.00 C ATOM 1310 O GLY A 85 0.864 0.582 -5.195 1.00 0.00 O ATOM 0 H GLY A 85 2.420 -3.333 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.175 -1.760 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.571 -2.307 -4.216 1.00 0.00 H new ATOM 1314 N LEU A 86 2.475 -0.347 -3.908 1.00 0.00 N ATOM 1315 CA LEU A 86 3.020 0.929 -3.475 1.00 0.00 C ATOM 1316 C LEU A 86 3.418 1.751 -4.703 1.00 0.00 C ATOM 1317 O LEU A 86 3.183 2.958 -4.749 1.00 0.00 O ATOM 1318 CB LEU A 86 4.164 0.713 -2.482 1.00 0.00 C ATOM 1319 CG LEU A 86 3.817 -0.080 -1.221 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.043 -0.822 -0.685 1.00 0.00 C ATOM 1321 CD2 LEU A 86 3.186 0.825 -0.161 1.00 0.00 C ATOM 0 H LEU A 86 2.950 -1.165 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 86 2.266 1.503 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.975 0.199 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.546 1.688 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 86 3.075 -0.833 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.769 -1.378 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.410 -1.514 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.825 -0.103 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.949 0.237 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.887 1.616 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.272 1.268 -0.558 1.00 0.00 H new ATOM 1333 N SER A 87 4.013 1.065 -5.668 1.00 0.00 N ATOM 1334 CA SER A 87 4.446 1.717 -6.892 1.00 0.00 C ATOM 1335 C SER A 87 3.246 2.348 -7.601 1.00 0.00 C ATOM 1336 O SER A 87 3.230 3.553 -7.848 1.00 0.00 O ATOM 1337 CB SER A 87 5.152 0.729 -7.822 1.00 0.00 C ATOM 1338 OG SER A 87 5.896 1.393 -8.840 1.00 0.00 O ATOM 0 H SER A 87 4.205 0.064 -5.627 1.00 0.00 H new ATOM 0 HA SER A 87 5.158 2.499 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.821 0.096 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.413 0.073 -8.282 1.00 0.00 H new ATOM 0 HG SER A 87 6.333 0.728 -9.412 1.00 0.00 H new ATOM 1344 N LEU A 88 2.270 1.506 -7.908 1.00 0.00 N ATOM 1345 CA LEU A 88 1.069 1.966 -8.583 1.00 0.00 C ATOM 1346 C LEU A 88 0.555 3.232 -7.894 1.00 0.00 C ATOM 1347 O LEU A 88 0.178 4.196 -8.559 1.00 0.00 O ATOM 1348 CB LEU A 88 0.033 0.843 -8.659 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.561 0.571 -10.043 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.358 1.777 -10.544 1.00 0.00 C ATOM 1351 CD2 LEU A 88 0.527 0.151 -11.034 1.00 0.00 C ATOM 0 H LEU A 88 2.287 0.507 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 88 1.291 2.233 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.495 -0.076 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.782 1.081 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.258 -0.263 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.769 1.557 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.172 1.989 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.702 2.645 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.078 -0.036 -12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.266 0.947 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.013 -0.757 -10.678 1.00 0.00 H new ATOM 1363 N MET A 89 0.555 3.187 -6.570 1.00 0.00 N ATOM 1364 CA MET A 89 0.093 4.318 -5.783 1.00 0.00 C ATOM 1365 C MET A 89 0.886 5.582 -6.121 1.00 0.00 C ATOM 1366 O MET A 89 0.305 6.612 -6.460 1.00 0.00 O ATOM 1367 CB MET A 89 0.247 4.002 -4.294 1.00 0.00 C ATOM 1368 CG MET A 89 -0.993 4.434 -3.510 1.00 0.00 C ATOM 1369 SD MET A 89 -2.406 3.472 -4.023 1.00 0.00 S ATOM 1370 CE MET A 89 -2.422 2.235 -2.737 1.00 0.00 C ATOM 0 H MET A 89 0.867 2.385 -6.022 1.00 0.00 H new ATOM 0 HA MET A 89 -0.956 4.496 -6.019 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.411 2.933 -4.161 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.126 4.511 -3.900 1.00 0.00 H new ATOM 0 HG2 MET A 89 -0.822 4.303 -2.442 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.186 5.494 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.833 1.305 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.405 2.062 -2.386 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.039 2.581 -1.907 1.00 0.00 H new ATOM 1380 N MET A 90 2.201 5.462 -6.018 1.00 0.00 N ATOM 1381 CA MET A 90 3.080 6.582 -6.308 1.00 0.00 C ATOM 1382 C MET A 90 2.751 7.198 -7.670 1.00 0.00 C ATOM 1383 O MET A 90 2.477 8.393 -7.765 1.00 0.00 O ATOM 1384 CB MET A 90 4.534 6.106 -6.301 1.00 0.00 C ATOM 1385 CG MET A 90 5.435 7.107 -5.576 1.00 0.00 C ATOM 1386 SD MET A 90 7.049 7.139 -6.337 1.00 0.00 S ATOM 1387 CE MET A 90 6.939 8.679 -7.233 1.00 0.00 C ATOM 0 H MET A 90 2.679 4.606 -5.738 1.00 0.00 H new ATOM 0 HA MET A 90 2.934 7.342 -5.541 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.600 5.133 -5.814 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.882 5.974 -7.325 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.989 8.101 -5.609 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.525 6.833 -4.525 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.871 8.855 -7.770 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.115 8.628 -7.945 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.764 9.496 -6.533 1.00 0.00 H new ATOM 1397 N ILE A 91 2.790 6.354 -8.690 1.00 0.00 N ATOM 1398 CA ILE A 91 2.500 6.800 -10.042 1.00 0.00 C ATOM 1399 C ILE A 91 1.203 7.612 -10.039 1.00 0.00 C ATOM 1400 O ILE A 91 1.206 8.796 -10.374 1.00 0.00 O ATOM 1401 CB ILE A 91 2.479 5.612 -11.006 1.00 0.00 C ATOM 1402 CG1 ILE A 91 3.860 4.960 -11.102 1.00 0.00 C ATOM 1403 CG2 ILE A 91 1.946 6.028 -12.378 1.00 0.00 C ATOM 1404 CD1 ILE A 91 3.797 3.483 -10.708 1.00 0.00 C ATOM 0 H ILE A 91 3.018 5.363 -8.607 1.00 0.00 H new ATOM 0 HA ILE A 91 3.289 7.459 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 91 1.795 4.862 -10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.240 5.053 -12.119 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.560 5.484 -10.451 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.942 5.165 -13.044 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.931 6.410 -12.273 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.585 6.806 -12.796 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.791 3.043 -10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.440 3.395 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.115 2.957 -11.376 1.00 0.00 H new ATOM 1416 N LEU A 92 0.125 6.943 -9.658 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.177 7.588 -9.607 1.00 0.00 C ATOM 1418 C LEU A 92 -1.065 8.892 -8.815 1.00 0.00 C ATOM 1419 O LEU A 92 -1.804 9.841 -9.068 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.231 6.624 -9.058 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.522 6.508 -9.872 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.293 5.240 -9.499 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.379 7.766 -9.721 1.00 0.00 C ATOM 0 H LEU A 92 0.126 5.961 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.511 7.852 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.783 5.633 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.489 6.937 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.256 6.424 -10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.206 5.182 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.674 4.366 -9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.549 5.268 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.290 7.658 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.639 7.906 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.819 8.632 -10.075 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.134 8.896 -7.872 1.00 0.00 N ATOM 1436 CA ARG A 93 0.085 10.068 -7.041 1.00 0.00 C ATOM 1437 C ARG A 93 0.617 11.226 -7.887 1.00 0.00 C ATOM 1438 O ARG A 93 0.178 12.365 -7.733 1.00 0.00 O ATOM 1439 CB ARG A 93 1.078 9.768 -5.916 1.00 0.00 C ATOM 1440 CG ARG A 93 0.687 10.499 -4.631 1.00 0.00 C ATOM 1441 CD ARG A 93 -0.439 9.763 -3.902 1.00 0.00 C ATOM 1442 NE ARG A 93 0.113 8.619 -3.142 1.00 0.00 N ATOM 1443 CZ ARG A 93 -0.625 7.787 -2.395 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.949 7.966 -2.302 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -0.038 6.776 -1.740 1.00 0.00 N ATOM 0 H ARG A 93 0.477 8.106 -7.665 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.872 10.346 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.111 8.694 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.080 10.070 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.555 10.582 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.369 11.514 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.953 10.446 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.179 9.410 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 93 1.118 8.454 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.396 8.736 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.511 7.332 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.970 6.640 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.600 6.142 -1.171 1.00 0.00 H new ATOM 1459 N LEU A 94 1.556 10.896 -8.762 1.00 0.00 N ATOM 1460 CA LEU A 94 2.153 11.894 -9.632 1.00 0.00 C ATOM 1461 C LEU A 94 1.044 12.674 -10.342 1.00 0.00 C ATOM 1462 O LEU A 94 1.197 13.862 -10.621 1.00 0.00 O ATOM 1463 CB LEU A 94 3.155 11.242 -10.587 1.00 0.00 C ATOM 1464 CG LEU A 94 4.600 11.164 -10.091 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.411 10.166 -10.921 1.00 0.00 C ATOM 1466 CD2 LEU A 94 5.248 12.550 -10.068 1.00 0.00 C ATOM 0 H LEU A 94 1.918 9.951 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 94 2.727 12.614 -9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.812 10.231 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.144 11.794 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 94 4.589 10.797 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.435 10.129 -10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.961 9.177 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.416 10.480 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.275 12.466 -9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.246 12.969 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.685 13.204 -9.402 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.047 11.973 -10.615 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.180 12.585 -11.287 1.00 0.00 C ATOM 1480 C VAL A 95 -2.082 13.255 -10.249 1.00 0.00 C ATOM 1481 O VAL A 95 -2.534 14.382 -10.449 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.914 11.540 -12.131 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.144 12.148 -12.808 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -0.975 10.910 -13.161 1.00 0.00 C ATOM 0 H VAL A 95 -0.170 10.987 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.843 13.361 -11.974 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.256 10.750 -11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.647 11.385 -13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.828 12.526 -12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.834 12.967 -13.457 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.521 10.171 -13.747 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.588 11.685 -13.823 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.145 10.424 -12.648 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.317 12.535 -9.162 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.157 13.046 -8.092 1.00 0.00 C ATOM 1496 C LEU A 96 -2.732 14.477 -7.755 1.00 0.00 C ATOM 1497 O LEU A 96 -3.577 15.343 -7.535 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.132 12.098 -6.891 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.478 11.841 -6.211 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.002 13.110 -5.536 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.489 11.258 -7.200 1.00 0.00 C ATOM 0 H LEU A 96 -1.940 11.601 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.198 13.089 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.724 11.141 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.444 12.502 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.329 11.098 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.960 12.900 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.288 13.443 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.132 13.893 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.437 11.085 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.640 11.959 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.111 10.315 -7.593 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.423 14.680 -7.726 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.876 15.990 -7.420 1.00 0.00 C ATOM 1515 C LEU A 97 -1.716 17.064 -8.115 1.00 0.00 C ATOM 1516 O LEU A 97 -2.233 17.970 -7.463 1.00 0.00 O ATOM 1517 CB LEU A 97 0.611 16.047 -7.777 1.00 0.00 C ATOM 1518 CG LEU A 97 1.574 16.256 -6.606 1.00 0.00 C ATOM 1519 CD1 LEU A 97 1.237 17.537 -5.841 1.00 0.00 C ATOM 1520 CD2 LEU A 97 1.597 15.031 -5.690 1.00 0.00 C ATOM 0 H LEU A 97 -0.725 13.959 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.931 16.184 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.879 15.119 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.762 16.854 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 97 2.580 16.376 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.936 17.662 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.313 18.392 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.221 17.471 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.289 15.206 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.597 14.855 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.921 14.159 -6.257 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.825 16.927 -9.428 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.594 17.874 -10.218 1.00 0.00 C ATOM 1534 C LEU A 98 -4.017 17.958 -9.663 1.00 0.00 C ATOM 1535 O LEU A 98 -4.536 19.050 -9.439 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.532 17.507 -11.702 1.00 0.00 C ATOM 1537 CG LEU A 98 -3.251 18.461 -12.659 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -2.538 18.522 -14.011 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -4.726 18.082 -12.805 1.00 0.00 C ATOM 0 H LEU A 98 -1.394 16.175 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.164 18.873 -10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.485 17.448 -11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.955 16.510 -11.828 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.217 19.463 -12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.069 19.207 -14.672 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.517 18.875 -13.868 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.519 17.528 -14.458 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.214 18.775 -13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.804 17.068 -13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.213 18.132 -11.831 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.608 16.789 -9.458 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.961 16.717 -8.934 1.00 0.00 C ATOM 1553 C LEU A 99 -6.091 17.661 -7.737 1.00 0.00 C ATOM 1554 O LEU A 99 -7.114 17.666 -7.055 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.336 15.268 -8.618 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.828 14.987 -8.428 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -8.556 14.956 -9.773 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.047 13.702 -7.627 1.00 0.00 C ATOM 0 H LEU A 99 -4.174 15.885 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.678 17.052 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.967 14.634 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.812 14.967 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.258 15.804 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.615 14.754 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.443 15.919 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.130 14.172 -10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.116 13.526 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.598 12.862 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.583 13.801 -6.646 1.00 0.00 H new