USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 151:sc= 0.22 USER MOD Set 1.2: A 60 GLN : amide:sc= 0.897 X(o=1.2,f=1.2) USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= 0.0949 USER MOD Set 2.1: A 76 HIS : no HD1:sc= 0.134 K(o=0.57,f=-1.6!) USER MOD Set 2.2: A 77 THR OG1 : rot -150:sc= 0.432 USER MOD Single : A 16 ASN : amide:sc= -2.32! K(o=-2.3!,f=0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.52 K(o=-2.5,f=-7.3!) USER MOD Single : A 24 SER OG : rot 37:sc= 0.907 USER MOD Single : A 25 TYR OH : rot -15:sc= -0.0418 USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -3.54! (180deg=-7.41!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-0.81) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 102:sc= 0.744 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 65 ASN : amide:sc= 0.0728 X(o=0.073,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 73 CYS SG : rot 150:sc= -6.81! USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0148) USER MOD Single : A 87 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 93 GLN : amide:sc= -8.99! C(o=-9!,f=-13!) USER MOD Single : A 94 CYS SG : rot 65:sc= -3.64! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 97 CYS SG : rot 15:sc= 0.538 USER MOD Single : A 99 THR OG1 : rot 104:sc= -4.18! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N VAL A 15 -8.380 -9.279 -0.165 1.00 0.00 N ATOM 167 CA VAL A 15 -7.839 -9.234 1.188 1.00 0.00 C ATOM 168 C VAL A 15 -6.754 -8.170 1.310 1.00 0.00 C ATOM 169 O VAL A 15 -5.995 -7.932 0.371 1.00 0.00 O ATOM 170 CB VAL A 15 -7.256 -10.597 1.605 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.605 -10.502 2.977 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.338 -11.665 1.592 1.00 0.00 C ATOM 0 HA VAL A 15 -8.666 -8.983 1.852 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.489 -10.881 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.199 -11.474 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.800 -9.767 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.349 -10.196 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.908 -12.622 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.129 -11.390 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.753 -11.750 0.588 1.00 0.00 H new ATOM 182 N ASN A 16 -6.686 -7.533 2.474 1.00 0.00 N ATOM 183 CA ASN A 16 -5.693 -6.493 2.720 1.00 0.00 C ATOM 184 C ASN A 16 -4.618 -6.984 3.685 1.00 0.00 C ATOM 185 O ASN A 16 -4.922 -7.466 4.777 1.00 0.00 O ATOM 186 CB ASN A 16 -6.366 -5.239 3.283 1.00 0.00 C ATOM 187 CG ASN A 16 -7.409 -4.670 2.342 1.00 0.00 C ATOM 188 OD1 ASN A 16 -8.610 -4.783 2.587 1.00 0.00 O ATOM 189 ND2 ASN A 16 -6.954 -4.054 1.257 1.00 0.00 N ATOM 0 H ASN A 16 -7.307 -7.718 3.262 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.218 -6.247 1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.834 -5.479 4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.608 -4.481 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.609 -3.651 0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.950 -3.984 1.094 1.00 0.00 H new ATOM 196 N LEU A 17 -3.361 -6.860 3.274 1.00 0.00 N ATOM 197 CA LEU A 17 -2.240 -7.290 4.102 1.00 0.00 C ATOM 198 C LEU A 17 -1.874 -6.219 5.124 1.00 0.00 C ATOM 199 O LEU A 17 -1.625 -5.067 4.769 1.00 0.00 O ATOM 200 CB LEU A 17 -1.027 -7.610 3.226 1.00 0.00 C ATOM 201 CG LEU A 17 -1.283 -8.540 2.039 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.166 -8.417 1.015 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.422 -9.980 2.510 1.00 0.00 C ATOM 0 H LEU A 17 -3.093 -6.465 2.373 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.542 -8.190 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.621 -6.673 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.258 -8.059 3.855 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.218 -8.243 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.365 -9.086 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.114 -7.390 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.783 -8.687 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.604 -10.627 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.504 -10.289 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.258 -10.056 3.206 1.00 0.00 H new ATOM 215 N ALA A 18 -1.843 -6.607 6.395 1.00 0.00 N ATOM 216 CA ALA A 18 -1.504 -5.681 7.468 1.00 0.00 C ATOM 217 C ALA A 18 0.007 -5.568 7.639 1.00 0.00 C ATOM 218 O ALA A 18 0.515 -4.551 8.113 1.00 0.00 O ATOM 219 CB ALA A 18 -2.153 -6.123 8.771 1.00 0.00 C ATOM 0 H ALA A 18 -2.049 -7.556 6.706 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.887 -4.697 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.891 -5.422 9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.236 -6.145 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.797 -7.119 9.035 1.00 0.00 H new ATOM 225 N PHE A 19 0.722 -6.619 7.251 1.00 0.00 N ATOM 226 CA PHE A 19 2.176 -6.639 7.363 1.00 0.00 C ATOM 227 C PHE A 19 2.781 -7.665 6.410 1.00 0.00 C ATOM 228 O PHE A 19 2.410 -8.839 6.426 1.00 0.00 O ATOM 229 CB PHE A 19 2.594 -6.953 8.801 1.00 0.00 C ATOM 230 CG PHE A 19 3.926 -7.638 8.902 1.00 0.00 C ATOM 231 CD1 PHE A 19 5.066 -7.045 8.383 1.00 0.00 C ATOM 232 CD2 PHE A 19 4.039 -8.875 9.516 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.293 -7.674 8.474 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.264 -9.508 9.610 1.00 0.00 C ATOM 235 CZ PHE A 19 6.393 -8.907 9.089 1.00 0.00 C ATOM 0 H PHE A 19 0.318 -7.468 6.856 1.00 0.00 H new ATOM 0 HA PHE A 19 2.550 -5.652 7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.627 -6.025 9.372 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.834 -7.584 9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.995 -6.081 7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.160 -9.350 9.926 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.174 -7.202 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.338 -10.472 10.091 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.351 -9.400 9.162 1.00 0.00 H new ATOM 245 N VAL A 20 3.716 -7.214 5.579 1.00 0.00 N ATOM 246 CA VAL A 20 4.373 -8.092 4.619 1.00 0.00 C ATOM 247 C VAL A 20 5.885 -8.088 4.816 1.00 0.00 C ATOM 248 O VAL A 20 6.524 -7.036 4.788 1.00 0.00 O ATOM 249 CB VAL A 20 4.055 -7.677 3.170 1.00 0.00 C ATOM 250 CG1 VAL A 20 5.048 -8.307 2.204 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.629 -8.062 2.807 1.00 0.00 C ATOM 0 H VAL A 20 4.035 -6.246 5.552 1.00 0.00 H new ATOM 0 HA VAL A 20 3.989 -9.097 4.795 1.00 0.00 H new ATOM 0 HB VAL A 20 4.146 -6.594 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.808 -8.003 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.057 -7.977 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.992 -9.393 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.421 -7.761 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.508 -9.141 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.934 -7.560 3.480 1.00 0.00 H new ATOM 261 N LYS A 21 6.453 -9.272 5.017 1.00 0.00 N ATOM 262 CA LYS A 21 7.891 -9.408 5.218 1.00 0.00 C ATOM 263 C LYS A 21 8.663 -8.795 4.054 1.00 0.00 C ATOM 264 O LYS A 21 8.742 -9.378 2.974 1.00 0.00 O ATOM 265 CB LYS A 21 8.268 -10.883 5.373 1.00 0.00 C ATOM 266 CG LYS A 21 9.604 -11.100 6.062 1.00 0.00 C ATOM 267 CD LYS A 21 10.746 -10.486 5.269 1.00 0.00 C ATOM 268 CE LYS A 21 11.037 -9.063 5.721 1.00 0.00 C ATOM 269 NZ LYS A 21 12.056 -9.024 6.806 1.00 0.00 N ATOM 0 H LYS A 21 5.939 -10.152 5.045 1.00 0.00 H new ATOM 0 HA LYS A 21 8.157 -8.873 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.489 -11.391 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.297 -11.347 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.575 -10.662 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.780 -12.168 6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.641 -11.096 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.496 -10.488 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.388 -8.477 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.116 -8.597 6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.227 -8.037 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.711 -9.562 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.943 -9.445 6.464 1.00 0.00 H new ATOM 283 N ASN A 22 9.232 -7.616 4.283 1.00 0.00 N ATOM 284 CA ASN A 22 9.999 -6.925 3.253 1.00 0.00 C ATOM 285 C ASN A 22 11.036 -5.996 3.878 1.00 0.00 C ATOM 286 O ASN A 22 11.002 -5.731 5.080 1.00 0.00 O ATOM 287 CB ASN A 22 9.065 -6.125 2.343 1.00 0.00 C ATOM 288 CG ASN A 22 8.689 -4.781 2.937 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.932 -3.734 2.336 1.00 0.00 O ATOM 290 ND2 ASN A 22 8.093 -4.805 4.124 1.00 0.00 N ATOM 0 H ASN A 22 9.176 -7.119 5.172 1.00 0.00 H new ATOM 0 HA ASN A 22 10.520 -7.675 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.547 -5.970 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.160 -6.703 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.817 -3.932 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.911 -5.696 4.586 1.00 0.00 H new ATOM 297 N ASP A 23 11.956 -5.506 3.054 1.00 0.00 N ATOM 298 CA ASP A 23 13.002 -4.606 3.525 1.00 0.00 C ATOM 299 C ASP A 23 13.323 -3.548 2.474 1.00 0.00 C ATOM 300 O ASP A 23 13.665 -3.873 1.337 1.00 0.00 O ATOM 301 CB ASP A 23 14.264 -5.395 3.875 1.00 0.00 C ATOM 302 CG ASP A 23 15.069 -4.740 4.980 1.00 0.00 C ATOM 303 OD1 ASP A 23 14.818 -5.055 6.162 1.00 0.00 O ATOM 304 OD2 ASP A 23 15.950 -3.913 4.664 1.00 0.00 O ATOM 0 H ASP A 23 11.998 -5.717 2.057 1.00 0.00 H new ATOM 0 HA ASP A 23 12.638 -4.103 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.985 -6.403 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.886 -5.493 2.985 1.00 0.00 H new ATOM 309 N SER A 24 13.208 -2.282 2.862 1.00 0.00 N ATOM 310 CA SER A 24 13.482 -1.176 1.951 1.00 0.00 C ATOM 311 C SER A 24 14.641 -0.326 2.461 1.00 0.00 C ATOM 312 O SER A 24 14.736 -0.037 3.654 1.00 0.00 O ATOM 313 CB SER A 24 12.234 -0.307 1.781 1.00 0.00 C ATOM 314 OG SER A 24 12.536 0.888 1.083 1.00 0.00 O ATOM 0 H SER A 24 12.927 -1.996 3.800 1.00 0.00 H new ATOM 0 HA SER A 24 13.760 -1.595 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.470 -0.865 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.819 -0.065 2.760 1.00 0.00 H new ATOM 0 HG SER A 24 13.199 0.701 0.386 1.00 0.00 H new ATOM 320 N TYR A 25 15.521 0.072 1.549 1.00 0.00 N ATOM 321 CA TYR A 25 16.676 0.887 1.905 1.00 0.00 C ATOM 322 C TYR A 25 16.627 2.239 1.201 1.00 0.00 C ATOM 323 O TYR A 25 16.028 2.374 0.134 1.00 0.00 O ATOM 324 CB TYR A 25 17.972 0.158 1.544 1.00 0.00 C ATOM 325 CG TYR A 25 18.109 -0.137 0.067 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.429 -1.199 -0.515 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.918 0.648 -0.745 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.553 -1.473 -1.864 1.00 0.00 C ATOM 329 CE2 TYR A 25 19.046 0.383 -2.095 1.00 0.00 C ATOM 330 CZ TYR A 25 18.362 -0.679 -2.649 1.00 0.00 C ATOM 331 OH TYR A 25 18.486 -0.947 -3.993 1.00 0.00 O ATOM 0 H TYR A 25 15.456 -0.157 0.557 1.00 0.00 H new ATOM 0 HA TYR A 25 16.650 1.057 2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.821 0.762 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.019 -0.779 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.793 -1.821 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.456 1.479 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.019 -2.304 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.678 1.004 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 25 18.145 -1.846 -4.180 1.00 0.00 H new ATOM 341 N GLU A 26 17.262 3.238 1.806 1.00 0.00 N ATOM 342 CA GLU A 26 17.290 4.580 1.238 1.00 0.00 C ATOM 343 C GLU A 26 18.314 4.672 0.110 1.00 0.00 C ATOM 344 O GLU A 26 19.521 4.594 0.342 1.00 0.00 O ATOM 345 CB GLU A 26 17.616 5.611 2.321 1.00 0.00 C ATOM 346 CG GLU A 26 16.543 5.729 3.391 1.00 0.00 C ATOM 347 CD GLU A 26 16.699 4.696 4.490 1.00 0.00 C ATOM 348 OE1 GLU A 26 17.826 4.188 4.671 1.00 0.00 O ATOM 349 OE2 GLU A 26 15.695 4.395 5.169 1.00 0.00 O ATOM 0 H GLU A 26 17.764 3.143 2.689 1.00 0.00 H new ATOM 0 HA GLU A 26 16.302 4.793 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.561 5.343 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.759 6.585 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.579 6.727 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.562 5.618 2.930 1.00 0.00 H new ATOM 356 N LYS A 27 17.824 4.837 -1.114 1.00 0.00 N ATOM 357 CA LYS A 27 18.694 4.940 -2.280 1.00 0.00 C ATOM 358 C LYS A 27 18.746 6.374 -2.795 1.00 0.00 C ATOM 359 O LYS A 27 17.838 7.166 -2.547 1.00 0.00 O ATOM 360 CB LYS A 27 18.206 4.005 -3.390 1.00 0.00 C ATOM 361 CG LYS A 27 19.320 3.489 -4.283 1.00 0.00 C ATOM 362 CD LYS A 27 19.007 2.102 -4.821 1.00 0.00 C ATOM 363 CE LYS A 27 18.289 2.173 -6.160 1.00 0.00 C ATOM 364 NZ LYS A 27 17.004 2.919 -6.062 1.00 0.00 N ATOM 0 H LYS A 27 16.828 4.902 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 27 19.699 4.644 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.691 3.157 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.475 4.533 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.469 4.178 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.254 3.460 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.932 1.536 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.388 1.563 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.935 2.657 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.096 1.163 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.268 2.415 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.719 2.990 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.126 3.874 -6.456 1.00 0.00 H new ATOM 378 N GLY A 28 19.815 6.702 -3.515 1.00 0.00 N ATOM 379 CA GLY A 28 19.964 8.040 -4.055 1.00 0.00 C ATOM 380 C GLY A 28 19.515 9.112 -3.081 1.00 0.00 C ATOM 381 O GLY A 28 19.400 8.878 -1.877 1.00 0.00 O ATOM 0 H GLY A 28 20.580 6.064 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.008 8.208 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.385 8.124 -4.975 1.00 0.00 H new ATOM 385 N PRO A 29 19.255 10.320 -3.602 1.00 0.00 N ATOM 386 CA PRO A 29 18.814 11.455 -2.787 1.00 0.00 C ATOM 387 C PRO A 29 17.397 11.271 -2.255 1.00 0.00 C ATOM 388 O PRO A 29 17.150 11.415 -1.058 1.00 0.00 O ATOM 389 CB PRO A 29 18.871 12.635 -3.761 1.00 0.00 C ATOM 390 CG PRO A 29 18.714 12.020 -5.109 1.00 0.00 C ATOM 391 CD PRO A 29 19.371 10.670 -5.028 1.00 0.00 C ATOM 0 HA PRO A 29 19.435 11.586 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.077 13.354 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.816 13.172 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.661 11.926 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.183 12.637 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.869 9.940 -5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.412 10.710 -5.349 1.00 0.00 H new ATOM 399 N ASP A 30 16.470 10.952 -3.152 1.00 0.00 N ATOM 400 CA ASP A 30 15.077 10.747 -2.772 1.00 0.00 C ATOM 401 C ASP A 30 14.575 9.392 -3.260 1.00 0.00 C ATOM 402 O ASP A 30 13.370 9.149 -3.318 1.00 0.00 O ATOM 403 CB ASP A 30 14.202 11.864 -3.341 1.00 0.00 C ATOM 404 CG ASP A 30 14.709 12.376 -4.675 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.218 11.558 -5.469 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.599 13.595 -4.924 1.00 0.00 O ATOM 0 H ASP A 30 16.658 10.830 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 30 15.016 10.767 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.182 11.498 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.163 12.689 -2.630 1.00 0.00 H new ATOM 411 N SER A 31 15.508 8.512 -3.611 1.00 0.00 N ATOM 412 CA SER A 31 15.160 7.183 -4.099 1.00 0.00 C ATOM 413 C SER A 31 14.998 6.204 -2.940 1.00 0.00 C ATOM 414 O SER A 31 15.689 6.305 -1.926 1.00 0.00 O ATOM 415 CB SER A 31 16.232 6.674 -5.065 1.00 0.00 C ATOM 416 OG SER A 31 16.549 7.655 -6.038 1.00 0.00 O ATOM 0 H SER A 31 16.510 8.696 -3.566 1.00 0.00 H new ATOM 0 HA SER A 31 14.209 7.255 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.130 6.406 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.881 5.768 -5.559 1.00 0.00 H new ATOM 0 HG SER A 31 17.237 7.306 -6.642 1.00 0.00 H new ATOM 422 N VAL A 32 14.080 5.256 -3.099 1.00 0.00 N ATOM 423 CA VAL A 32 13.826 4.257 -2.067 1.00 0.00 C ATOM 424 C VAL A 32 13.404 2.928 -2.682 1.00 0.00 C ATOM 425 O VAL A 32 12.373 2.840 -3.349 1.00 0.00 O ATOM 426 CB VAL A 32 12.735 4.727 -1.087 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.474 3.666 -0.029 1.00 0.00 C ATOM 428 CG2 VAL A 32 13.130 6.048 -0.443 1.00 0.00 C ATOM 0 H VAL A 32 13.500 5.159 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 32 14.759 4.121 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 32 11.812 4.883 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.700 4.016 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.144 2.746 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.391 3.475 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.347 6.365 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.065 5.922 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.261 6.805 -1.216 1.00 0.00 H new ATOM 438 N VAL A 33 14.207 1.894 -2.451 1.00 0.00 N ATOM 439 CA VAL A 33 13.916 0.567 -2.980 1.00 0.00 C ATOM 440 C VAL A 33 13.312 -0.333 -1.908 1.00 0.00 C ATOM 441 O VAL A 33 13.693 -0.265 -0.739 1.00 0.00 O ATOM 442 CB VAL A 33 15.183 -0.103 -3.543 1.00 0.00 C ATOM 443 CG1 VAL A 33 14.934 -1.580 -3.808 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.641 0.604 -4.810 1.00 0.00 C ATOM 0 H VAL A 33 15.064 1.950 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 33 13.195 0.700 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 33 15.977 -0.021 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.841 -2.036 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.657 -2.075 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.126 -1.689 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.537 0.117 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.851 0.555 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.863 1.647 -4.585 1.00 0.00 H new ATOM 454 N VAL A 34 12.368 -1.176 -2.313 1.00 0.00 N ATOM 455 CA VAL A 34 11.712 -2.091 -1.386 1.00 0.00 C ATOM 456 C VAL A 34 11.922 -3.542 -1.806 1.00 0.00 C ATOM 457 O VAL A 34 11.838 -3.876 -2.988 1.00 0.00 O ATOM 458 CB VAL A 34 10.200 -1.809 -1.294 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.566 -2.649 -0.196 1.00 0.00 C ATOM 460 CG2 VAL A 34 9.949 -0.327 -1.056 1.00 0.00 C ATOM 0 H VAL A 34 12.040 -1.245 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 34 12.165 -1.929 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 34 9.738 -2.085 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.498 -2.436 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.716 -3.706 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.029 -2.407 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.876 -0.145 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.424 -0.023 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.367 0.250 -1.881 1.00 0.00 H new ATOM 470 N HIS A 35 12.194 -4.401 -0.829 1.00 0.00 N ATOM 471 CA HIS A 35 12.415 -5.818 -1.097 1.00 0.00 C ATOM 472 C HIS A 35 11.369 -6.674 -0.390 1.00 0.00 C ATOM 473 O HIS A 35 11.454 -6.909 0.815 1.00 0.00 O ATOM 474 CB HIS A 35 13.817 -6.231 -0.647 1.00 0.00 C ATOM 475 CG HIS A 35 14.909 -5.690 -1.518 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.142 -6.295 -1.641 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.947 -4.596 -2.313 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.893 -5.595 -2.473 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.191 -4.559 -2.895 1.00 0.00 N ATOM 0 H HIS A 35 12.267 -4.141 0.155 1.00 0.00 H new ATOM 0 HA HIS A 35 12.324 -5.978 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.977 -5.890 0.376 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.880 -7.319 -0.634 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.430 -7.150 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.148 -3.884 -2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.908 -5.830 -2.759 1.00 0.00 H new ATOM 488 N VAL A 36 10.380 -7.137 -1.149 1.00 0.00 N ATOM 489 CA VAL A 36 9.317 -7.968 -0.595 1.00 0.00 C ATOM 490 C VAL A 36 9.654 -9.449 -0.722 1.00 0.00 C ATOM 491 O VAL A 36 9.905 -9.947 -1.820 1.00 0.00 O ATOM 492 CB VAL A 36 7.971 -7.696 -1.295 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.826 -8.314 -0.507 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.758 -6.201 -1.478 1.00 0.00 C ATOM 0 H VAL A 36 10.293 -6.951 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 36 9.229 -7.709 0.460 1.00 0.00 H new ATOM 0 HB VAL A 36 7.994 -8.159 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.883 -8.112 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.975 -9.391 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.798 -7.882 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.803 -6.028 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.755 -5.712 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.563 -5.791 -2.088 1.00 0.00 H new ATOM 504 N TYR A 37 9.657 -10.148 0.407 1.00 0.00 N ATOM 505 CA TYR A 37 9.965 -11.573 0.423 1.00 0.00 C ATOM 506 C TYR A 37 8.745 -12.399 0.024 1.00 0.00 C ATOM 507 O TYR A 37 7.824 -12.589 0.818 1.00 0.00 O ATOM 508 CB TYR A 37 10.450 -11.996 1.810 1.00 0.00 C ATOM 509 CG TYR A 37 11.793 -11.413 2.186 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.401 -10.450 1.390 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.455 -11.825 3.336 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.629 -9.915 1.729 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.682 -11.294 3.684 1.00 0.00 C ATOM 514 CZ TYR A 37 14.265 -10.340 2.877 1.00 0.00 C ATOM 515 OH TYR A 37 15.488 -9.809 3.219 1.00 0.00 O ATOM 0 H TYR A 37 9.450 -9.751 1.323 1.00 0.00 H new ATOM 0 HA TYR A 37 10.758 -11.755 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.711 -11.693 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.512 -13.084 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.905 -10.114 0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.002 -12.574 3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.088 -9.168 1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.182 -11.624 4.583 1.00 0.00 H new ATOM 0 HH TYR A 37 15.798 -10.214 4.055 1.00 0.00 H new ATOM 525 N VAL A 38 8.748 -12.887 -1.212 1.00 0.00 N ATOM 526 CA VAL A 38 7.643 -13.694 -1.717 1.00 0.00 C ATOM 527 C VAL A 38 8.022 -14.390 -3.019 1.00 0.00 C ATOM 528 O VAL A 38 8.806 -13.867 -3.811 1.00 0.00 O ATOM 529 CB VAL A 38 6.385 -12.838 -1.953 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.615 -11.851 -3.087 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.184 -13.726 -2.243 1.00 0.00 C ATOM 0 H VAL A 38 9.503 -12.738 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 38 7.425 -14.444 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 38 6.178 -12.270 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.715 -11.255 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.447 -11.194 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.848 -12.396 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.303 -13.105 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.379 -14.322 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.008 -14.388 -1.395 1.00 0.00 H new ATOM 541 N LYS A 39 7.460 -15.575 -3.236 1.00 0.00 N ATOM 542 CA LYS A 39 7.737 -16.344 -4.443 1.00 0.00 C ATOM 543 C LYS A 39 6.445 -16.867 -5.063 1.00 0.00 C ATOM 544 O LYS A 39 5.364 -16.698 -4.500 1.00 0.00 O ATOM 545 CB LYS A 39 8.672 -17.513 -4.124 1.00 0.00 C ATOM 546 CG LYS A 39 9.983 -17.087 -3.487 1.00 0.00 C ATOM 547 CD LYS A 39 10.980 -18.233 -3.445 1.00 0.00 C ATOM 548 CE LYS A 39 11.405 -18.655 -4.843 1.00 0.00 C ATOM 549 NZ LYS A 39 12.737 -19.320 -4.841 1.00 0.00 N ATOM 0 H LYS A 39 6.810 -16.023 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 39 8.223 -15.684 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.160 -18.204 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.885 -18.058 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.408 -16.254 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.797 -16.728 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.857 -17.932 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.537 -19.083 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.661 -19.334 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.437 -17.780 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.991 -19.592 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.452 -18.664 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.700 -20.169 -4.242 1.00 0.00 H new ATOM 563 N GLU A 40 6.566 -17.504 -6.223 1.00 0.00 N ATOM 564 CA GLU A 40 5.406 -18.052 -6.918 1.00 0.00 C ATOM 565 C GLU A 40 4.317 -16.996 -7.074 1.00 0.00 C ATOM 566 O GLU A 40 3.147 -17.248 -6.785 1.00 0.00 O ATOM 567 CB GLU A 40 4.855 -19.262 -6.160 1.00 0.00 C ATOM 568 CG GLU A 40 5.928 -20.093 -5.477 1.00 0.00 C ATOM 569 CD GLU A 40 6.661 -21.005 -6.441 1.00 0.00 C ATOM 570 OE1 GLU A 40 7.652 -20.549 -7.050 1.00 0.00 O ATOM 571 OE2 GLU A 40 6.246 -22.173 -6.586 1.00 0.00 O ATOM 0 H GLU A 40 7.454 -17.654 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 40 5.725 -18.369 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.143 -18.917 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.304 -19.896 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.645 -19.428 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.471 -20.694 -4.690 1.00 0.00 H new ATOM 578 N ILE A 41 4.710 -15.812 -7.532 1.00 0.00 N ATOM 579 CA ILE A 41 3.767 -14.717 -7.727 1.00 0.00 C ATOM 580 C ILE A 41 3.302 -14.644 -9.178 1.00 0.00 C ATOM 581 O ILE A 41 4.005 -15.084 -10.088 1.00 0.00 O ATOM 582 CB ILE A 41 4.385 -13.364 -7.329 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.311 -13.171 -5.813 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.677 -12.226 -8.049 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.275 -11.719 -5.390 1.00 0.00 C ATOM 0 H ILE A 41 5.675 -15.586 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 41 2.911 -14.919 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 41 5.434 -13.359 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.421 -13.674 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.172 -13.655 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.125 -11.276 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.777 -12.359 -9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.621 -12.227 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.223 -11.658 -4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.177 -11.216 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.399 -11.235 -5.823 1.00 0.00 H new ATOM 597 N CYS A 42 2.116 -14.085 -9.385 1.00 0.00 N ATOM 598 CA CYS A 42 1.556 -13.952 -10.726 1.00 0.00 C ATOM 599 C CYS A 42 1.700 -12.522 -11.236 1.00 0.00 C ATOM 600 O CYS A 42 0.957 -11.630 -10.829 1.00 0.00 O ATOM 601 CB CYS A 42 0.083 -14.362 -10.729 1.00 0.00 C ATOM 602 SG CYS A 42 -0.483 -15.068 -12.295 1.00 0.00 S ATOM 0 H CYS A 42 1.523 -13.716 -8.642 1.00 0.00 H new ATOM 0 HA CYS A 42 2.111 -14.613 -11.392 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.082 -15.089 -9.934 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.527 -13.489 -10.495 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.740 -15.386 -12.199 1.00 0.00 H new ATOM 608 N ARG A 43 2.662 -12.312 -12.129 1.00 0.00 N ATOM 609 CA ARG A 43 2.906 -10.990 -12.693 1.00 0.00 C ATOM 610 C ARG A 43 1.773 -10.582 -13.630 1.00 0.00 C ATOM 611 O ARG A 43 1.746 -9.459 -14.135 1.00 0.00 O ATOM 612 CB ARG A 43 4.237 -10.971 -13.446 1.00 0.00 C ATOM 613 CG ARG A 43 5.404 -11.510 -12.635 1.00 0.00 C ATOM 614 CD ARG A 43 6.738 -11.144 -13.266 1.00 0.00 C ATOM 615 NE ARG A 43 6.835 -11.604 -14.648 1.00 0.00 N ATOM 616 CZ ARG A 43 7.968 -11.620 -15.340 1.00 0.00 C ATOM 617 NH1 ARG A 43 9.096 -11.203 -14.781 1.00 0.00 N ATOM 618 NH2 ARG A 43 7.976 -12.054 -16.594 1.00 0.00 N ATOM 0 H ARG A 43 3.285 -13.041 -12.477 1.00 0.00 H new ATOM 0 HA ARG A 43 2.951 -10.275 -11.872 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.137 -11.559 -14.358 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.458 -9.948 -13.749 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.359 -11.112 -11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.323 -12.594 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.869 -10.062 -13.234 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.547 -11.581 -12.681 1.00 0.00 H new ATOM 0 HE ARG A 43 5.985 -11.931 -15.108 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.095 -10.869 -13.817 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.965 -11.216 -15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.111 -12.376 -17.028 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.847 -12.066 -17.124 1.00 0.00 H new ATOM 632 N ASP A 44 0.840 -11.500 -13.857 1.00 0.00 N ATOM 633 CA ASP A 44 -0.295 -11.236 -14.733 1.00 0.00 C ATOM 634 C ASP A 44 -1.471 -10.669 -13.943 1.00 0.00 C ATOM 635 O ASP A 44 -2.247 -9.862 -14.455 1.00 0.00 O ATOM 636 CB ASP A 44 -0.719 -12.516 -15.454 1.00 0.00 C ATOM 637 CG ASP A 44 0.165 -12.830 -16.645 1.00 0.00 C ATOM 638 OD1 ASP A 44 -0.080 -12.267 -17.732 1.00 0.00 O ATOM 639 OD2 ASP A 44 1.104 -13.639 -16.489 1.00 0.00 O ATOM 0 H ASP A 44 0.848 -12.434 -13.446 1.00 0.00 H new ATOM 0 HA ASP A 44 0.013 -10.497 -15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.690 -13.351 -14.754 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.752 -12.416 -15.788 1.00 0.00 H new ATOM 644 N THR A 45 -1.597 -11.098 -12.691 1.00 0.00 N ATOM 645 CA THR A 45 -2.679 -10.636 -11.830 1.00 0.00 C ATOM 646 C THR A 45 -2.140 -9.820 -10.660 1.00 0.00 C ATOM 647 O THR A 45 -2.871 -9.509 -9.719 1.00 0.00 O ATOM 648 CB THR A 45 -3.503 -11.816 -11.282 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.737 -12.541 -10.313 1.00 0.00 O ATOM 650 CG2 THR A 45 -3.925 -12.750 -12.405 1.00 0.00 C ATOM 0 H THR A 45 -0.963 -11.765 -12.251 1.00 0.00 H new ATOM 0 HA THR A 45 -3.324 -10.006 -12.442 1.00 0.00 H new ATOM 0 HB THR A 45 -4.400 -11.415 -10.809 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.340 -12.946 -9.655 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.506 -13.575 -11.993 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.533 -12.202 -13.125 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.039 -13.143 -12.904 1.00 0.00 H new ATOM 658 N SER A 46 -0.858 -9.475 -10.726 1.00 0.00 N ATOM 659 CA SER A 46 -0.221 -8.697 -9.670 1.00 0.00 C ATOM 660 C SER A 46 0.257 -7.349 -10.201 1.00 0.00 C ATOM 661 O SER A 46 1.061 -7.285 -11.131 1.00 0.00 O ATOM 662 CB SER A 46 0.958 -9.471 -9.078 1.00 0.00 C ATOM 663 OG SER A 46 0.535 -10.714 -8.543 1.00 0.00 O ATOM 0 H SER A 46 -0.240 -9.722 -11.499 1.00 0.00 H new ATOM 0 HA SER A 46 -0.959 -8.519 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.710 -9.640 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.431 -8.877 -8.296 1.00 0.00 H new ATOM 0 HG SER A 46 0.764 -11.434 -9.167 1.00 0.00 H new ATOM 669 N ARG A 47 -0.245 -6.273 -9.603 1.00 0.00 N ATOM 670 CA ARG A 47 0.129 -4.925 -10.016 1.00 0.00 C ATOM 671 C ARG A 47 0.492 -4.068 -8.807 1.00 0.00 C ATOM 672 O ARG A 47 0.446 -4.531 -7.668 1.00 0.00 O ATOM 673 CB ARG A 47 -1.015 -4.272 -10.793 1.00 0.00 C ATOM 674 CG ARG A 47 -2.374 -4.441 -10.134 1.00 0.00 C ATOM 675 CD ARG A 47 -3.305 -3.287 -10.472 1.00 0.00 C ATOM 676 NE ARG A 47 -4.710 -3.657 -10.330 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.715 -2.919 -10.788 1.00 0.00 C ATOM 678 NH1 ARG A 47 -5.470 -1.776 -11.414 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.968 -3.323 -10.620 1.00 0.00 N ATOM 0 H ARG A 47 -0.911 -6.308 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 47 1.003 -4.999 -10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.805 -3.208 -10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.051 -4.698 -11.796 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.823 -5.379 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.250 -4.505 -9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.085 -2.441 -9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.118 -2.958 -11.494 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.932 -4.531 -9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.508 -1.462 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.243 -1.211 -11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.160 -4.201 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.739 -2.755 -10.972 1.00 0.00 H new ATOM 693 N VAL A 48 0.854 -2.815 -9.065 1.00 0.00 N ATOM 694 CA VAL A 48 1.225 -1.892 -7.999 1.00 0.00 C ATOM 695 C VAL A 48 0.704 -0.488 -8.281 1.00 0.00 C ATOM 696 O VAL A 48 0.967 0.083 -9.341 1.00 0.00 O ATOM 697 CB VAL A 48 2.753 -1.833 -7.814 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.126 -0.782 -6.779 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.295 -3.198 -7.419 1.00 0.00 C ATOM 0 H VAL A 48 0.898 -2.416 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 48 0.770 -2.268 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 48 3.206 -1.549 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.209 -0.755 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.772 0.195 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.664 -1.032 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.376 -3.138 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.837 -3.514 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.061 -3.922 -8.199 1.00 0.00 H new ATOM 709 N LEU A 49 -0.038 0.065 -7.328 1.00 0.00 N ATOM 710 CA LEU A 49 -0.597 1.405 -7.473 1.00 0.00 C ATOM 711 C LEU A 49 0.241 2.430 -6.716 1.00 0.00 C ATOM 712 O LEU A 49 0.336 2.385 -5.489 1.00 0.00 O ATOM 713 CB LEU A 49 -2.040 1.434 -6.966 1.00 0.00 C ATOM 714 CG LEU A 49 -3.056 0.637 -7.786 1.00 0.00 C ATOM 715 CD1 LEU A 49 -3.020 1.068 -9.244 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.787 -0.855 -7.662 1.00 0.00 C ATOM 0 H LEU A 49 -0.267 -0.394 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.585 1.665 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.052 1.057 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.369 2.472 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.052 0.840 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.749 0.490 -9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.261 2.128 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.024 0.894 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.519 -1.407 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.785 -1.076 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.864 -1.153 -6.616 1.00 0.00 H new ATOM 728 N PHE A 50 0.846 3.354 -7.454 1.00 0.00 N ATOM 729 CA PHE A 50 1.675 4.392 -6.852 1.00 0.00 C ATOM 730 C PHE A 50 0.881 5.682 -6.666 1.00 0.00 C ATOM 731 O PHE A 50 0.563 6.373 -7.633 1.00 0.00 O ATOM 732 CB PHE A 50 2.906 4.658 -7.721 1.00 0.00 C ATOM 733 CG PHE A 50 3.872 3.509 -7.760 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.452 3.035 -6.594 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.201 2.903 -8.962 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.342 1.978 -6.627 1.00 0.00 C ATOM 737 CE2 PHE A 50 5.090 1.846 -9.001 1.00 0.00 C ATOM 738 CZ PHE A 50 5.660 1.382 -7.832 1.00 0.00 C ATOM 0 H PHE A 50 0.778 3.406 -8.470 1.00 0.00 H new ATOM 0 HA PHE A 50 1.999 4.041 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.582 4.884 -8.737 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.421 5.543 -7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.206 3.497 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.757 3.261 -9.879 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.788 1.618 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.339 1.383 -9.945 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.353 0.554 -7.860 1.00 0.00 H new ATOM 748 N ARG A 51 0.564 5.999 -5.415 1.00 0.00 N ATOM 749 CA ARG A 51 -0.193 7.204 -5.100 1.00 0.00 C ATOM 750 C ARG A 51 0.742 8.371 -4.800 1.00 0.00 C ATOM 751 O ARG A 51 1.962 8.241 -4.895 1.00 0.00 O ATOM 752 CB ARG A 51 -1.115 6.955 -3.905 1.00 0.00 C ATOM 753 CG ARG A 51 -2.494 6.448 -4.295 1.00 0.00 C ATOM 754 CD ARG A 51 -3.432 7.593 -4.642 1.00 0.00 C ATOM 755 NE ARG A 51 -3.616 8.509 -3.519 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.158 9.716 -3.636 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.567 10.150 -4.820 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.293 10.491 -2.568 1.00 0.00 N ATOM 0 H ARG A 51 0.820 5.438 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.798 7.460 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.646 6.231 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.224 7.882 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.407 5.776 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.915 5.868 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.034 8.141 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.399 7.191 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.312 8.205 -2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.466 9.557 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.983 11.077 -4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.980 10.160 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.709 11.418 -2.660 1.00 0.00 H new ATOM 772 N GLU A 52 0.161 9.511 -4.438 1.00 0.00 N ATOM 773 CA GLU A 52 0.944 10.701 -4.125 1.00 0.00 C ATOM 774 C GLU A 52 1.438 10.664 -2.682 1.00 0.00 C ATOM 775 O GLU A 52 2.570 11.049 -2.393 1.00 0.00 O ATOM 776 CB GLU A 52 0.109 11.962 -4.358 1.00 0.00 C ATOM 777 CG GLU A 52 -0.957 12.191 -3.301 1.00 0.00 C ATOM 778 CD GLU A 52 -2.097 13.058 -3.799 1.00 0.00 C ATOM 779 OE1 GLU A 52 -2.862 12.592 -4.669 1.00 0.00 O ATOM 780 OE2 GLU A 52 -2.223 14.204 -3.319 1.00 0.00 O ATOM 0 H GLU A 52 -0.848 9.635 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 52 1.810 10.719 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.772 12.826 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.369 11.895 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.353 11.229 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.503 12.661 -2.428 1.00 0.00 H new ATOM 787 N GLN A 53 0.579 10.199 -1.780 1.00 0.00 N ATOM 788 CA GLN A 53 0.927 10.113 -0.367 1.00 0.00 C ATOM 789 C GLN A 53 0.847 8.672 0.127 1.00 0.00 C ATOM 790 O GLN A 53 0.711 8.423 1.324 1.00 0.00 O ATOM 791 CB GLN A 53 -0.001 11.001 0.464 1.00 0.00 C ATOM 792 CG GLN A 53 0.533 11.307 1.854 1.00 0.00 C ATOM 793 CD GLN A 53 -0.572 11.534 2.866 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.147 12.620 2.941 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.875 10.508 3.653 1.00 0.00 N ATOM 0 H GLN A 53 -0.363 9.876 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 53 1.953 10.462 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.165 11.938 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.971 10.513 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.162 10.482 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.167 12.193 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.373 9.625 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.610 10.603 4.354 1.00 0.00 H new ATOM 804 N ASP A 54 0.932 7.728 -0.804 1.00 0.00 N ATOM 805 CA ASP A 54 0.870 6.311 -0.463 1.00 0.00 C ATOM 806 C ASP A 54 1.178 5.446 -1.681 1.00 0.00 C ATOM 807 O ASP A 54 1.470 5.958 -2.762 1.00 0.00 O ATOM 808 CB ASP A 54 -0.510 5.958 0.094 1.00 0.00 C ATOM 809 CG ASP A 54 -1.630 6.657 -0.651 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.569 7.897 -0.787 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.569 5.964 -1.098 1.00 0.00 O ATOM 0 H ASP A 54 1.044 7.918 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 54 1.622 6.113 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.657 4.879 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.554 6.230 1.149 1.00 0.00 H new ATOM 816 N PHE A 55 1.111 4.131 -1.498 1.00 0.00 N ATOM 817 CA PHE A 55 1.384 3.194 -2.582 1.00 0.00 C ATOM 818 C PHE A 55 0.888 1.794 -2.228 1.00 0.00 C ATOM 819 O PHE A 55 1.382 1.166 -1.291 1.00 0.00 O ATOM 820 CB PHE A 55 2.883 3.155 -2.885 1.00 0.00 C ATOM 821 CG PHE A 55 3.650 2.218 -1.996 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.718 0.865 -2.288 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.303 2.690 -0.869 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.423 0.000 -1.472 1.00 0.00 C ATOM 825 CE2 PHE A 55 5.010 1.830 -0.050 1.00 0.00 C ATOM 826 CZ PHE A 55 5.070 0.483 -0.351 1.00 0.00 C ATOM 0 H PHE A 55 0.870 3.691 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 55 0.850 3.536 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.028 2.858 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.293 4.160 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.214 0.482 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.259 3.742 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.468 -1.052 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.515 2.211 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.621 -0.191 0.288 1.00 0.00 H new ATOM 836 N THR A 56 -0.092 1.312 -2.985 1.00 0.00 N ATOM 837 CA THR A 56 -0.657 -0.012 -2.751 1.00 0.00 C ATOM 838 C THR A 56 -0.016 -1.051 -3.663 1.00 0.00 C ATOM 839 O THR A 56 0.309 -0.765 -4.816 1.00 0.00 O ATOM 840 CB THR A 56 -2.181 -0.020 -2.974 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.764 1.162 -2.414 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.814 -1.251 -2.344 1.00 0.00 C ATOM 0 H THR A 56 -0.511 1.818 -3.765 1.00 0.00 H new ATOM 0 HA THR A 56 -0.448 -0.266 -1.712 1.00 0.00 H new ATOM 0 HB THR A 56 -2.369 -0.044 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.733 1.150 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.890 -1.234 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.389 -2.149 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.617 -1.253 -1.272 1.00 0.00 H new ATOM 850 N LEU A 57 0.163 -2.260 -3.141 1.00 0.00 N ATOM 851 CA LEU A 57 0.765 -3.344 -3.910 1.00 0.00 C ATOM 852 C LEU A 57 -0.146 -4.567 -3.932 1.00 0.00 C ATOM 853 O LEU A 57 -0.288 -5.266 -2.928 1.00 0.00 O ATOM 854 CB LEU A 57 2.126 -3.718 -3.320 1.00 0.00 C ATOM 855 CG LEU A 57 2.602 -5.147 -3.585 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.035 -5.306 -5.034 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.739 -5.514 -2.643 1.00 0.00 C ATOM 0 H LEU A 57 -0.100 -2.514 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 57 0.902 -2.998 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.873 -3.029 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.087 -3.563 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 57 1.770 -5.826 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.370 -6.329 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.194 -5.086 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.852 -4.616 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.065 -6.534 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.573 -4.829 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.395 -5.442 -1.611 1.00 0.00 H new ATOM 869 N ILE A 58 -0.760 -4.820 -5.082 1.00 0.00 N ATOM 870 CA ILE A 58 -1.655 -5.961 -5.236 1.00 0.00 C ATOM 871 C ILE A 58 -0.977 -7.092 -6.002 1.00 0.00 C ATOM 872 O ILE A 58 -0.631 -6.942 -7.174 1.00 0.00 O ATOM 873 CB ILE A 58 -2.951 -5.565 -5.967 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.772 -4.600 -5.109 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.766 -6.804 -6.307 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.193 -3.203 -5.049 1.00 0.00 C ATOM 0 H ILE A 58 -0.655 -4.250 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.905 -6.304 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.687 -5.060 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.786 -4.548 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.845 -4.998 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.679 -6.508 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.180 -7.459 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.023 -7.333 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.826 -2.573 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.190 -3.243 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.146 -2.785 -6.055 1.00 0.00 H new ATOM 888 N PHE A 59 -0.792 -8.225 -5.332 1.00 0.00 N ATOM 889 CA PHE A 59 -0.157 -9.383 -5.950 1.00 0.00 C ATOM 890 C PHE A 59 -0.681 -10.680 -5.341 1.00 0.00 C ATOM 891 O PHE A 59 -0.912 -10.762 -4.135 1.00 0.00 O ATOM 892 CB PHE A 59 1.363 -9.306 -5.785 1.00 0.00 C ATOM 893 CG PHE A 59 1.830 -9.613 -4.391 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.721 -10.894 -3.875 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.380 -8.619 -3.596 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.150 -11.178 -2.593 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.811 -8.898 -2.313 1.00 0.00 C ATOM 898 CZ PHE A 59 2.696 -10.179 -1.811 1.00 0.00 C ATOM 0 H PHE A 59 -1.073 -8.366 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.401 -9.377 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.832 -10.004 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.700 -8.307 -6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.296 -11.680 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.473 -7.615 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.059 -12.181 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.237 -8.115 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.032 -10.399 -0.809 1.00 0.00 H new ATOM 908 N GLN A 60 -0.866 -11.690 -6.185 1.00 0.00 N ATOM 909 CA GLN A 60 -1.364 -12.983 -5.731 1.00 0.00 C ATOM 910 C GLN A 60 -0.246 -14.020 -5.708 1.00 0.00 C ATOM 911 O GLN A 60 0.213 -14.477 -6.756 1.00 0.00 O ATOM 912 CB GLN A 60 -2.502 -13.462 -6.635 1.00 0.00 C ATOM 913 CG GLN A 60 -3.852 -12.857 -6.286 1.00 0.00 C ATOM 914 CD GLN A 60 -4.845 -12.948 -7.428 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.676 -13.745 -8.351 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.889 -12.129 -7.371 1.00 0.00 N ATOM 0 H GLN A 60 -0.679 -11.638 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.743 -12.861 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.260 -13.218 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.573 -14.548 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.260 -13.367 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.717 -11.811 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.989 -11.484 -6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.591 -12.145 -8.111 1.00 0.00 H new ATOM 925 N THR A 61 0.189 -14.388 -4.507 1.00 0.00 N ATOM 926 CA THR A 61 1.254 -15.370 -4.348 1.00 0.00 C ATOM 927 C THR A 61 0.688 -16.751 -4.039 1.00 0.00 C ATOM 928 O THR A 61 -0.327 -16.876 -3.353 1.00 0.00 O ATOM 929 CB THR A 61 2.229 -14.964 -3.226 1.00 0.00 C ATOM 930 OG1 THR A 61 3.301 -15.910 -3.143 1.00 0.00 O ATOM 931 CG2 THR A 61 1.510 -14.885 -1.888 1.00 0.00 C ATOM 0 H THR A 61 -0.180 -14.020 -3.630 1.00 0.00 H new ATOM 0 HA THR A 61 1.794 -15.406 -5.294 1.00 0.00 H new ATOM 0 HB THR A 61 2.632 -13.979 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.846 -15.859 -3.956 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.218 -14.597 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.713 -14.143 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.083 -15.858 -1.647 1.00 0.00 H new ATOM 939 N ARG A 62 1.350 -17.784 -4.548 1.00 0.00 N ATOM 940 CA ARG A 62 0.911 -19.157 -4.326 1.00 0.00 C ATOM 941 C ARG A 62 1.995 -19.967 -3.621 1.00 0.00 C ATOM 942 O ARG A 62 1.926 -21.195 -3.562 1.00 0.00 O ATOM 943 CB ARG A 62 0.547 -19.820 -5.656 1.00 0.00 C ATOM 944 CG ARG A 62 1.750 -20.119 -6.536 1.00 0.00 C ATOM 945 CD ARG A 62 1.350 -20.258 -7.997 1.00 0.00 C ATOM 946 NE ARG A 62 0.975 -21.629 -8.334 1.00 0.00 N ATOM 947 CZ ARG A 62 1.848 -22.624 -8.442 1.00 0.00 C ATOM 948 NH1 ARG A 62 3.140 -22.402 -8.240 1.00 0.00 N ATOM 949 NH2 ARG A 62 1.430 -23.845 -8.751 1.00 0.00 N ATOM 0 H ARG A 62 2.192 -17.697 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 62 0.028 -19.131 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.014 -20.749 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.139 -19.171 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.485 -19.321 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.229 -21.039 -6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.514 -19.591 -8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.178 -19.942 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.011 -21.833 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.465 -21.465 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.808 -23.168 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.437 -24.020 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.102 -24.608 -8.834 1.00 0.00 H new ATOM 963 N ASP A 63 2.994 -19.272 -3.090 1.00 0.00 N ATOM 964 CA ASP A 63 4.093 -19.926 -2.389 1.00 0.00 C ATOM 965 C ASP A 63 3.664 -20.358 -0.990 1.00 0.00 C ATOM 966 O ASP A 63 3.394 -19.524 -0.127 1.00 0.00 O ATOM 967 CB ASP A 63 5.299 -18.989 -2.299 1.00 0.00 C ATOM 968 CG ASP A 63 6.571 -19.717 -1.912 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.670 -20.929 -2.197 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.466 -19.076 -1.323 1.00 0.00 O ATOM 0 H ASP A 63 3.066 -18.255 -3.131 1.00 0.00 H new ATOM 0 HA ASP A 63 4.374 -20.814 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.444 -18.496 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.094 -18.208 -1.567 1.00 0.00 H new ATOM 975 N GLY A 64 3.603 -21.669 -0.775 1.00 0.00 N ATOM 976 CA GLY A 64 3.204 -22.190 0.520 1.00 0.00 C ATOM 977 C GLY A 64 3.942 -21.523 1.665 1.00 0.00 C ATOM 978 O GLY A 64 3.472 -21.529 2.802 1.00 0.00 O ATOM 0 H GLY A 64 3.823 -22.379 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.131 -22.047 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.389 -23.264 0.549 1.00 0.00 H new ATOM 982 N ASN A 65 5.101 -20.947 1.364 1.00 0.00 N ATOM 983 CA ASN A 65 5.906 -20.275 2.378 1.00 0.00 C ATOM 984 C ASN A 65 5.286 -18.936 2.765 1.00 0.00 C ATOM 985 O ASN A 65 5.330 -18.532 3.927 1.00 0.00 O ATOM 986 CB ASN A 65 7.332 -20.061 1.867 1.00 0.00 C ATOM 987 CG ASN A 65 8.079 -21.366 1.671 1.00 0.00 C ATOM 988 OD1 ASN A 65 8.758 -21.848 2.578 1.00 0.00 O ATOM 989 ND2 ASN A 65 7.955 -21.946 0.483 1.00 0.00 N ATOM 0 H ASN A 65 5.504 -20.932 0.427 1.00 0.00 H new ATOM 0 HA ASN A 65 5.936 -20.911 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.299 -19.519 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.878 -19.436 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.433 -22.827 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.382 -21.511 -0.240 1.00 0.00 H new ATOM 996 N PHE A 66 4.708 -18.252 1.783 1.00 0.00 N ATOM 997 CA PHE A 66 4.079 -16.958 2.020 1.00 0.00 C ATOM 998 C PHE A 66 2.625 -17.130 2.448 1.00 0.00 C ATOM 999 O PHE A 66 2.113 -16.370 3.271 1.00 0.00 O ATOM 1000 CB PHE A 66 4.153 -16.093 0.760 1.00 0.00 C ATOM 1001 CG PHE A 66 3.714 -14.673 0.981 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.371 -14.365 1.133 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.643 -13.647 1.037 1.00 0.00 C ATOM 1004 CE1 PHE A 66 1.964 -13.060 1.336 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.242 -12.340 1.240 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.901 -12.046 1.390 1.00 0.00 C ATOM 0 H PHE A 66 4.662 -18.572 0.816 1.00 0.00 H new ATOM 0 HA PHE A 66 4.620 -16.461 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.177 -16.094 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.531 -16.541 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.634 -15.154 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.693 -13.871 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.915 -12.833 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.977 -11.549 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.585 -11.026 1.549 1.00 0.00 H new ATOM 1016 N LEU A 67 1.963 -18.134 1.882 1.00 0.00 N ATOM 1017 CA LEU A 67 0.567 -18.408 2.204 1.00 0.00 C ATOM 1018 C LEU A 67 0.421 -18.866 3.651 1.00 0.00 C ATOM 1019 O LEU A 67 -0.378 -18.315 4.410 1.00 0.00 O ATOM 1020 CB LEU A 67 0.005 -19.473 1.261 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.344 -19.003 -0.152 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -0.990 -20.128 -0.945 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.261 -17.790 -0.099 1.00 0.00 C ATOM 0 H LEU A 67 2.371 -18.771 1.198 1.00 0.00 H new ATOM 0 HA LEU A 67 0.003 -17.484 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.732 -20.281 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.893 -19.894 1.714 1.00 0.00 H new ATOM 0 HG LEU A 67 0.578 -18.715 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.231 -19.775 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.299 -20.968 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.903 -20.449 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.499 -17.469 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.181 -18.052 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.761 -16.979 0.430 1.00 0.00 H new ATOM 1035 N ARG A 68 1.199 -19.875 4.029 1.00 0.00 N ATOM 1036 CA ARG A 68 1.157 -20.406 5.386 1.00 0.00 C ATOM 1037 C ARG A 68 1.146 -19.277 6.412 1.00 0.00 C ATOM 1038 O ARG A 68 0.510 -19.382 7.461 1.00 0.00 O ATOM 1039 CB ARG A 68 2.355 -21.324 5.634 1.00 0.00 C ATOM 1040 CG ARG A 68 3.636 -20.577 5.966 1.00 0.00 C ATOM 1041 CD ARG A 68 4.735 -21.527 6.417 1.00 0.00 C ATOM 1042 NE ARG A 68 5.980 -20.824 6.711 1.00 0.00 N ATOM 1043 CZ ARG A 68 7.019 -21.389 7.316 1.00 0.00 C ATOM 1044 NH1 ARG A 68 6.961 -22.660 7.690 1.00 0.00 N ATOM 1045 NH2 ARG A 68 8.118 -20.684 7.549 1.00 0.00 N ATOM 0 H ARG A 68 1.866 -20.341 3.414 1.00 0.00 H new ATOM 0 HA ARG A 68 0.238 -20.982 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.118 -22.003 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.521 -21.938 4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.971 -20.021 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.440 -19.847 6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.405 -22.067 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.913 -22.270 5.640 1.00 0.00 H new ATOM 0 HE ARG A 68 6.056 -19.845 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.118 -23.206 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.760 -23.092 8.154 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.167 -19.706 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.915 -21.120 8.014 1.00 0.00 H new ATOM 1059 N LEU A 69 1.855 -18.197 6.102 1.00 0.00 N ATOM 1060 CA LEU A 69 1.928 -17.047 6.996 1.00 0.00 C ATOM 1061 C LEU A 69 0.543 -16.457 7.240 1.00 0.00 C ATOM 1062 O LEU A 69 0.183 -16.136 8.373 1.00 0.00 O ATOM 1063 CB LEU A 69 2.854 -15.979 6.412 1.00 0.00 C ATOM 1064 CG LEU A 69 4.135 -16.490 5.751 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.977 -15.327 5.248 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.932 -17.347 6.724 1.00 0.00 C ATOM 0 H LEU A 69 2.387 -18.094 5.238 1.00 0.00 H new ATOM 0 HA LEU A 69 2.331 -17.386 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.293 -15.404 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.131 -15.290 7.210 1.00 0.00 H new ATOM 0 HG LEU A 69 3.859 -17.108 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.884 -15.710 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.406 -14.754 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.244 -14.682 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.840 -17.702 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.198 -16.753 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.330 -18.201 7.035 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.232 -16.318 6.168 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.580 -15.769 6.266 1.00 0.00 C ATOM 1080 C HIS A 70 -2.627 -16.863 6.075 1.00 0.00 C ATOM 1081 O HIS A 70 -3.010 -17.200 4.954 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.781 -14.667 5.225 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.814 -13.531 5.361 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.154 -12.316 5.917 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.490 -13.432 5.012 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.102 -11.517 5.901 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.909 -12.171 5.357 1.00 0.00 N ATOM 0 H HIS A 70 0.050 -16.578 5.223 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.702 -15.344 7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.685 -15.098 4.228 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.797 -14.281 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.089 -14.202 4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.073 -10.502 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.848 -11.799 5.216 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.101 -17.431 7.193 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.109 -18.495 7.175 1.00 0.00 C ATOM 1098 C PRO A 71 -5.478 -17.988 6.735 1.00 0.00 C ATOM 1099 O PRO A 71 -5.778 -16.800 6.850 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.155 -18.965 8.631 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.696 -17.790 9.423 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.689 -17.078 8.563 1.00 0.00 C ATOM 0 HA PRO A 71 -3.857 -19.284 6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.162 -19.267 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.507 -19.827 8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.532 -17.135 9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.250 -18.105 10.366 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.713 -16.000 8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.673 -17.410 8.775 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.307 -18.897 6.231 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.635 -18.522 5.782 1.00 0.00 C ATOM 1112 C GLY A 72 -7.660 -18.114 4.322 1.00 0.00 C ATOM 1113 O GLY A 72 -8.725 -18.046 3.708 1.00 0.00 O ATOM 0 H GLY A 72 -6.083 -19.886 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.316 -19.359 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.002 -17.697 6.393 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.485 -17.839 3.767 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.376 -17.432 2.370 1.00 0.00 C ATOM 1119 C CYS A 73 -5.661 -18.499 1.547 1.00 0.00 C ATOM 1120 O CYS A 73 -5.232 -19.523 2.077 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.630 -16.102 2.261 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.585 -14.672 2.821 1.00 0.00 S ATOM 0 H CYS A 73 -5.595 -17.890 4.262 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.384 -17.308 1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.712 -16.164 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.337 -15.946 1.223 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.778 -13.770 3.295 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.538 -18.252 0.246 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.876 -19.201 -0.629 1.00 0.00 C ATOM 1130 C GLY A 74 -4.175 -18.526 -1.792 1.00 0.00 C ATOM 1131 O GLY A 74 -3.930 -17.320 -1.781 1.00 0.00 O ATOM 0 H GLY A 74 -5.885 -17.412 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.149 -19.775 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.610 -19.910 -1.013 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.839 -19.314 -2.823 1.00 0.00 N ATOM 1136 CA PRO A 75 -3.156 -18.807 -4.017 1.00 0.00 C ATOM 1137 C PRO A 75 -4.056 -17.915 -4.865 1.00 0.00 C ATOM 1138 O PRO A 75 -3.582 -17.004 -5.544 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.789 -20.081 -4.784 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.788 -21.092 -4.337 1.00 0.00 C ATOM 1141 CD PRO A 75 -4.100 -20.761 -2.904 1.00 0.00 C ATOM 0 HA PRO A 75 -2.298 -18.185 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.840 -19.923 -5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.772 -20.401 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.687 -21.050 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.388 -22.102 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.134 -20.997 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.469 -21.322 -2.215 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.357 -18.184 -4.822 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.325 -17.405 -5.587 1.00 0.00 C ATOM 1151 C HIS A 76 -6.847 -16.230 -4.764 1.00 0.00 C ATOM 1152 O HIS A 76 -7.744 -15.506 -5.196 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.489 -18.290 -6.029 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.779 -19.416 -5.085 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.803 -19.261 -3.715 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -8.059 -20.719 -5.320 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -8.084 -20.421 -3.148 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.244 -21.322 -4.100 1.00 0.00 N ATOM 0 H HIS A 76 -5.765 -18.935 -4.266 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.822 -17.013 -6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.383 -17.675 -6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.268 -18.701 -7.014 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.125 -21.196 -6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.168 -20.601 -2.087 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.469 -22.306 -3.953 1.00 0.00 H new ATOM 1167 N THR A 77 -6.280 -16.047 -3.576 1.00 0.00 N ATOM 1168 CA THR A 77 -6.689 -14.963 -2.692 1.00 0.00 C ATOM 1169 C THR A 77 -5.854 -13.711 -2.935 1.00 0.00 C ATOM 1170 O THR A 77 -4.659 -13.682 -2.636 1.00 0.00 O ATOM 1171 CB THR A 77 -6.568 -15.369 -1.211 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.469 -16.444 -0.923 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.871 -14.189 -0.301 1.00 0.00 C ATOM 0 H THR A 77 -5.535 -16.636 -3.204 1.00 0.00 H new ATOM 0 HA THR A 77 -7.734 -14.749 -2.917 1.00 0.00 H new ATOM 0 HB THR A 77 -5.544 -15.695 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.752 -16.391 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.779 -14.499 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.165 -13.383 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.886 -13.837 -0.487 1.00 0.00 H new ATOM 1181 N THR A 78 -6.489 -12.677 -3.477 1.00 0.00 N ATOM 1182 CA THR A 78 -5.804 -11.422 -3.759 1.00 0.00 C ATOM 1183 C THR A 78 -5.275 -10.784 -2.480 1.00 0.00 C ATOM 1184 O THR A 78 -5.935 -10.814 -1.441 1.00 0.00 O ATOM 1185 CB THR A 78 -6.734 -10.422 -4.471 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.367 -11.053 -5.590 1.00 0.00 O ATOM 1187 CG2 THR A 78 -5.958 -9.202 -4.943 1.00 0.00 C ATOM 0 H THR A 78 -7.477 -12.684 -3.730 1.00 0.00 H new ATOM 0 HA THR A 78 -4.967 -11.660 -4.416 1.00 0.00 H new ATOM 0 HB THR A 78 -7.493 -10.097 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.957 -10.411 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.636 -8.510 -5.443 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.502 -8.707 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.179 -9.513 -5.639 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.081 -10.207 -2.562 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.463 -9.562 -1.409 1.00 0.00 C ATOM 1197 C PHE A 79 -3.106 -8.112 -1.724 1.00 0.00 C ATOM 1198 O PHE A 79 -2.315 -7.838 -2.627 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.208 -10.326 -0.982 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.488 -11.725 -0.514 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.459 -11.968 0.445 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.782 -12.798 -1.033 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.718 -13.254 0.878 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -2.037 -14.087 -0.604 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.007 -14.315 0.352 1.00 0.00 C ATOM 0 H PHE A 79 -3.522 -10.173 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.182 -9.572 -0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.513 -10.364 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.712 -9.776 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.019 -11.143 0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.023 -12.625 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.476 -13.430 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.478 -14.915 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.209 -15.321 0.688 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.696 -7.187 -0.974 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.443 -5.766 -1.173 1.00 0.00 C ATOM 1217 C ARG A 80 -2.650 -5.186 -0.006 1.00 0.00 C ATOM 1218 O ARG A 80 -3.113 -5.188 1.134 1.00 0.00 O ATOM 1219 CB ARG A 80 -4.763 -5.008 -1.332 1.00 0.00 C ATOM 1220 CG ARG A 80 -4.591 -3.584 -1.833 1.00 0.00 C ATOM 1221 CD ARG A 80 -5.916 -2.988 -2.284 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.635 -2.356 -1.181 1.00 0.00 N ATOM 1223 CZ ARG A 80 -7.557 -1.415 -1.348 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.870 -0.998 -2.567 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -8.168 -0.888 -0.294 1.00 0.00 N ATOM 0 H ARG A 80 -4.353 -7.397 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.854 -5.652 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.404 -5.553 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.278 -4.987 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.164 -2.968 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.884 -3.572 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.735 -2.252 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.536 -3.771 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.417 -2.654 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.402 -1.400 -3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.579 -0.275 -2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.929 -1.206 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.876 -0.165 -0.424 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.453 -4.690 -0.300 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.594 -4.108 0.726 1.00 0.00 C ATOM 1241 C TRP A 81 -0.531 -2.591 0.585 1.00 0.00 C ATOM 1242 O TRP A 81 0.183 -2.068 -0.270 1.00 0.00 O ATOM 1243 CB TRP A 81 0.813 -4.699 0.638 1.00 0.00 C ATOM 1244 CG TRP A 81 1.660 -4.397 1.837 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.240 -4.291 3.132 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.072 -4.159 1.850 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.306 -4.002 3.950 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.441 -3.917 3.188 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.061 -4.130 0.863 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.755 -3.648 3.561 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.365 -3.863 1.235 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.703 -3.625 2.574 1.00 0.00 C ATOM 0 H TRP A 81 -1.055 -4.679 -1.239 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.020 -4.347 1.700 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.738 -5.780 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.307 -4.312 -0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.220 -4.416 3.465 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.259 -3.872 4.961 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.811 -4.313 -0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.017 -3.464 4.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.137 -3.837 0.480 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.731 -3.419 2.832 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.283 -1.891 1.428 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.311 -0.433 1.396 1.00 0.00 C ATOM 1265 C GLN A 82 -0.340 0.153 2.416 1.00 0.00 C ATOM 1266 O GLN A 82 -0.352 -0.223 3.588 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.727 0.077 1.672 1.00 0.00 C ATOM 1268 CG GLN A 82 -2.933 1.535 1.295 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.356 2.002 1.524 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.625 2.791 2.430 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.279 1.516 0.702 1.00 0.00 N ATOM 0 H GLN A 82 -1.881 -2.309 2.141 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.003 -0.111 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.439 -0.536 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.950 -0.051 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.253 2.156 1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.673 1.675 0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.012 0.864 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.254 1.795 0.809 1.00 0.00 H new ATOM 1280 N VAL A 83 0.502 1.076 1.961 1.00 0.00 N ATOM 1281 CA VAL A 83 1.480 1.715 2.834 1.00 0.00 C ATOM 1282 C VAL A 83 1.262 3.223 2.892 1.00 0.00 C ATOM 1283 O VAL A 83 1.241 3.898 1.863 1.00 0.00 O ATOM 1284 CB VAL A 83 2.919 1.433 2.365 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.919 2.199 3.217 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.208 -0.060 2.403 1.00 0.00 C ATOM 0 H VAL A 83 0.526 1.398 0.993 1.00 0.00 H new ATOM 0 HA VAL A 83 1.341 1.292 3.829 1.00 0.00 H new ATOM 0 HB VAL A 83 3.020 1.774 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.930 1.987 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.724 3.268 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.821 1.892 4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.229 -0.242 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.089 -0.428 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.513 -0.582 1.746 1.00 0.00 H new ATOM 1296 N LYS A 84 1.101 3.746 4.102 1.00 0.00 N ATOM 1297 CA LYS A 84 0.887 5.175 4.297 1.00 0.00 C ATOM 1298 C LYS A 84 2.216 5.907 4.460 1.00 0.00 C ATOM 1299 O LYS A 84 2.917 5.727 5.457 1.00 0.00 O ATOM 1300 CB LYS A 84 0.005 5.417 5.524 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.686 6.769 5.519 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.887 6.785 6.449 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.402 8.199 6.671 1.00 0.00 C ATOM 1304 NZ LYS A 84 -1.537 8.962 7.614 1.00 0.00 N ATOM 0 H LYS A 84 1.115 3.201 4.964 1.00 0.00 H new ATOM 0 HA LYS A 84 0.383 5.566 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.750 4.633 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.616 5.334 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.021 7.541 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.006 7.011 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.682 6.169 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.613 6.342 7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.449 8.723 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.418 8.158 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.966 9.890 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.444 8.433 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.596 9.096 7.191 1.00 0.00 H new ATOM 1318 N LEU A 85 2.556 6.732 3.477 1.00 0.00 N ATOM 1319 CA LEU A 85 3.800 7.493 3.512 1.00 0.00 C ATOM 1320 C LEU A 85 3.601 8.829 4.221 1.00 0.00 C ATOM 1321 O LEU A 85 2.747 9.627 3.835 1.00 0.00 O ATOM 1322 CB LEU A 85 4.317 7.729 2.092 1.00 0.00 C ATOM 1323 CG LEU A 85 4.204 6.544 1.132 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.109 7.030 -0.306 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.389 5.605 1.301 1.00 0.00 C ATOM 0 H LEU A 85 1.988 6.891 2.645 1.00 0.00 H new ATOM 0 HA LEU A 85 4.536 6.913 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.773 8.571 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.365 8.024 2.152 1.00 0.00 H new ATOM 0 HG LEU A 85 3.293 5.994 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.029 6.173 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.228 7.662 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.002 7.604 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.291 4.768 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.313 6.144 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.413 5.230 2.324 1.00 0.00 H new ATOM 1337 N ARG A 86 4.397 9.067 5.259 1.00 0.00 N ATOM 1338 CA ARG A 86 4.309 10.306 6.021 1.00 0.00 C ATOM 1339 C ARG A 86 4.227 11.512 5.090 1.00 0.00 C ATOM 1340 O ARG A 86 3.200 12.184 5.017 1.00 0.00 O ATOM 1341 CB ARG A 86 5.517 10.446 6.949 1.00 0.00 C ATOM 1342 CG ARG A 86 5.310 9.816 8.317 1.00 0.00 C ATOM 1343 CD ARG A 86 4.381 10.654 9.181 1.00 0.00 C ATOM 1344 NE ARG A 86 5.013 11.896 9.619 1.00 0.00 N ATOM 1345 CZ ARG A 86 4.351 12.894 10.194 1.00 0.00 C ATOM 1346 NH1 ARG A 86 3.045 12.796 10.399 1.00 0.00 N ATOM 1347 NH2 ARG A 86 4.996 13.992 10.565 1.00 0.00 N ATOM 0 H ARG A 86 5.110 8.418 5.591 1.00 0.00 H new ATOM 0 HA ARG A 86 3.400 10.270 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.384 9.987 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.746 11.504 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.895 8.815 8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.272 9.705 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.476 10.886 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.076 10.075 10.053 1.00 0.00 H new ATOM 0 HE ARG A 86 6.017 12.003 9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.546 11.953 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.539 13.564 10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.001 14.071 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.487 14.758 11.006 1.00 0.00 H new ATOM 1361 N ASN A 87 5.319 11.780 4.380 1.00 0.00 N ATOM 1362 CA ASN A 87 5.371 12.906 3.454 1.00 0.00 C ATOM 1363 C ASN A 87 4.787 12.522 2.098 1.00 0.00 C ATOM 1364 O ASN A 87 4.312 11.402 1.908 1.00 0.00 O ATOM 1365 CB ASN A 87 6.813 13.386 3.284 1.00 0.00 C ATOM 1366 CG ASN A 87 7.326 14.122 4.507 1.00 0.00 C ATOM 1367 OD1 ASN A 87 7.586 15.324 4.458 1.00 0.00 O ATOM 1368 ND2 ASN A 87 7.475 13.400 5.612 1.00 0.00 N ATOM 0 H ASN A 87 6.179 11.233 4.428 1.00 0.00 H new ATOM 0 HA ASN A 87 4.772 13.716 3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.457 12.530 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.874 14.042 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.818 13.840 6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.247 12.406 5.606 1.00 0.00 H new ATOM 1375 N LEU A 88 4.827 13.459 1.157 1.00 0.00 N ATOM 1376 CA LEU A 88 4.303 13.220 -0.184 1.00 0.00 C ATOM 1377 C LEU A 88 5.334 12.506 -1.052 1.00 0.00 C ATOM 1378 O LEU A 88 6.491 12.354 -0.660 1.00 0.00 O ATOM 1379 CB LEU A 88 3.897 14.542 -0.837 1.00 0.00 C ATOM 1380 CG LEU A 88 2.487 15.042 -0.519 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.209 16.351 -1.243 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.451 13.993 -0.893 1.00 0.00 C ATOM 0 H LEU A 88 5.217 14.391 1.297 1.00 0.00 H new ATOM 0 HA LEU A 88 3.425 12.581 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.610 15.308 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.987 14.433 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 88 2.420 15.222 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.201 16.692 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.931 17.103 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.295 16.197 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.454 14.367 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.518 13.780 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.638 13.080 -0.328 1.00 0.00 H new ATOM 1394 N ILE A 89 4.906 12.072 -2.233 1.00 0.00 N ATOM 1395 CA ILE A 89 5.794 11.377 -3.158 1.00 0.00 C ATOM 1396 C ILE A 89 5.321 11.539 -4.599 1.00 0.00 C ATOM 1397 O ILE A 89 4.215 12.017 -4.849 1.00 0.00 O ATOM 1398 CB ILE A 89 5.889 9.877 -2.827 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.545 9.190 -3.079 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.328 9.680 -1.383 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.677 7.745 -3.509 1.00 0.00 C ATOM 0 H ILE A 89 3.951 12.189 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 89 6.780 11.828 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 89 6.635 9.423 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.946 9.237 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.002 9.741 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.391 8.614 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.305 10.139 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.603 10.146 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.686 7.321 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.249 7.692 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.191 7.180 -2.732 1.00 0.00 H new ATOM 1413 N GLU A 90 6.167 11.136 -5.542 1.00 0.00 N ATOM 1414 CA GLU A 90 5.835 11.236 -6.958 1.00 0.00 C ATOM 1415 C GLU A 90 5.669 9.851 -7.577 1.00 0.00 C ATOM 1416 O GLU A 90 6.639 9.181 -7.931 1.00 0.00 O ATOM 1417 CB GLU A 90 6.920 12.014 -7.706 1.00 0.00 C ATOM 1418 CG GLU A 90 6.661 13.509 -7.772 1.00 0.00 C ATOM 1419 CD GLU A 90 5.438 13.853 -8.601 1.00 0.00 C ATOM 1420 OE1 GLU A 90 4.310 13.699 -8.089 1.00 0.00 O ATOM 1421 OE2 GLU A 90 5.611 14.278 -9.763 1.00 0.00 O ATOM 0 H GLU A 90 7.086 10.738 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 90 4.889 11.770 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.880 11.841 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.002 11.623 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.531 13.896 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.534 14.007 -8.195 1.00 0.00 H new ATOM 1428 N PRO A 91 4.409 9.410 -7.710 1.00 0.00 N ATOM 1429 CA PRO A 91 4.085 8.102 -8.286 1.00 0.00 C ATOM 1430 C PRO A 91 4.368 8.041 -9.783 1.00 0.00 C ATOM 1431 O PRO A 91 4.370 6.965 -10.380 1.00 0.00 O ATOM 1432 CB PRO A 91 2.584 7.959 -8.020 1.00 0.00 C ATOM 1433 CG PRO A 91 2.083 9.358 -7.916 1.00 0.00 C ATOM 1434 CD PRO A 91 3.204 10.156 -7.310 1.00 0.00 C ATOM 0 HA PRO A 91 4.687 7.305 -7.850 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.088 7.420 -8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.396 7.402 -7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.811 9.749 -8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.189 9.407 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.220 11.178 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.112 10.219 -6.226 1.00 0.00 H new ATOM 1442 N GLU A 92 4.608 9.202 -10.383 1.00 0.00 N ATOM 1443 CA GLU A 92 4.892 9.279 -11.811 1.00 0.00 C ATOM 1444 C GLU A 92 6.275 8.713 -12.122 1.00 0.00 C ATOM 1445 O GLU A 92 6.573 8.371 -13.266 1.00 0.00 O ATOM 1446 CB GLU A 92 4.803 10.728 -12.295 1.00 0.00 C ATOM 1447 CG GLU A 92 3.377 11.226 -12.465 1.00 0.00 C ATOM 1448 CD GLU A 92 3.307 12.564 -13.174 1.00 0.00 C ATOM 1449 OE1 GLU A 92 3.776 12.648 -14.329 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.784 13.527 -12.576 1.00 0.00 O ATOM 0 H GLU A 92 4.611 10.102 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 92 4.146 8.682 -12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.322 11.372 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.326 10.817 -13.247 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.804 10.490 -13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.907 11.313 -11.485 1.00 0.00 H new ATOM 1457 N GLN A 93 7.113 8.618 -11.095 1.00 0.00 N ATOM 1458 CA GLN A 93 8.464 8.094 -11.259 1.00 0.00 C ATOM 1459 C GLN A 93 8.585 6.700 -10.653 1.00 0.00 C ATOM 1460 O GLN A 93 9.434 5.907 -11.061 1.00 0.00 O ATOM 1461 CB GLN A 93 9.481 9.035 -10.609 1.00 0.00 C ATOM 1462 CG GLN A 93 9.023 10.484 -10.558 1.00 0.00 C ATOM 1463 CD GLN A 93 8.221 10.886 -11.780 1.00 0.00 C ATOM 1464 OE1 GLN A 93 8.273 10.223 -12.816 1.00 0.00 O ATOM 1465 NE2 GLN A 93 7.473 11.977 -11.665 1.00 0.00 N ATOM 0 H GLN A 93 6.881 8.897 -10.142 1.00 0.00 H new ATOM 0 HA GLN A 93 8.673 8.025 -12.327 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.685 8.691 -9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.420 8.978 -11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.418 10.639 -9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.894 11.133 -10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.460 12.496 -10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.911 12.296 -12.455 1.00 0.00 H new ATOM 1474 N CYS A 94 7.731 6.408 -9.678 1.00 0.00 N ATOM 1475 CA CYS A 94 7.743 5.109 -9.015 1.00 0.00 C ATOM 1476 C CYS A 94 7.650 3.978 -10.034 1.00 0.00 C ATOM 1477 O CYS A 94 7.112 4.154 -11.128 1.00 0.00 O ATOM 1478 CB CYS A 94 6.586 5.011 -8.020 1.00 0.00 C ATOM 1479 SG CYS A 94 6.749 6.103 -6.588 1.00 0.00 S ATOM 0 H CYS A 94 7.022 7.053 -9.329 1.00 0.00 H new ATOM 0 HA CYS A 94 8.686 5.012 -8.476 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.655 5.244 -8.537 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.507 3.981 -7.671 1.00 0.00 H new ATOM 0 HG CYS A 94 6.701 7.342 -6.979 1.00 0.00 H new ATOM 1485 N THR A 95 8.181 2.814 -9.669 1.00 0.00 N ATOM 1486 CA THR A 95 8.161 1.655 -10.552 1.00 0.00 C ATOM 1487 C THR A 95 8.036 0.360 -9.756 1.00 0.00 C ATOM 1488 O THR A 95 8.603 0.230 -8.671 1.00 0.00 O ATOM 1489 CB THR A 95 9.431 1.589 -11.421 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.596 1.597 -10.589 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.485 2.762 -12.389 1.00 0.00 C ATOM 0 H THR A 95 8.630 2.650 -8.768 1.00 0.00 H new ATOM 0 HA THR A 95 7.292 1.766 -11.200 1.00 0.00 H new ATOM 0 HB THR A 95 9.403 0.664 -11.996 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.399 1.553 -11.150 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.390 2.695 -12.992 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.612 2.736 -13.041 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.492 3.697 -11.828 1.00 0.00 H new ATOM 1499 N PHE A 96 7.292 -0.595 -10.303 1.00 0.00 N ATOM 1500 CA PHE A 96 7.092 -1.880 -9.643 1.00 0.00 C ATOM 1501 C PHE A 96 7.484 -3.031 -10.566 1.00 0.00 C ATOM 1502 O PHE A 96 6.986 -3.139 -11.687 1.00 0.00 O ATOM 1503 CB PHE A 96 5.634 -2.034 -9.209 1.00 0.00 C ATOM 1504 CG PHE A 96 4.738 -2.564 -10.291 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.582 -3.929 -10.473 1.00 0.00 C ATOM 1506 CD2 PHE A 96 4.052 -1.698 -11.128 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.758 -4.420 -11.468 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.227 -2.184 -12.124 1.00 0.00 C ATOM 1509 CZ PHE A 96 3.081 -3.546 -12.296 1.00 0.00 C ATOM 0 H PHE A 96 6.818 -0.504 -11.201 1.00 0.00 H new ATOM 0 HA PHE A 96 7.731 -1.910 -8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.588 -2.704 -8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.258 -1.066 -8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.110 -4.617 -9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.164 -0.631 -11.000 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.644 -5.486 -11.598 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.696 -1.498 -12.768 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.439 -3.927 -13.076 1.00 0.00 H new ATOM 1519 N CYS A 97 8.378 -3.888 -10.086 1.00 0.00 N ATOM 1520 CA CYS A 97 8.838 -5.031 -10.867 1.00 0.00 C ATOM 1521 C CYS A 97 9.220 -6.193 -9.956 1.00 0.00 C ATOM 1522 O CYS A 97 9.937 -6.015 -8.971 1.00 0.00 O ATOM 1523 CB CYS A 97 10.032 -4.634 -11.735 1.00 0.00 C ATOM 1524 SG CYS A 97 9.605 -3.579 -13.141 1.00 0.00 S ATOM 0 H CYS A 97 8.799 -3.813 -9.160 1.00 0.00 H new ATOM 0 HA CYS A 97 8.020 -5.352 -11.512 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.762 -4.115 -11.114 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.514 -5.538 -12.106 1.00 0.00 H new ATOM 0 HG CYS A 97 8.405 -3.105 -12.980 1.00 0.00 H new ATOM 1530 N PHE A 98 8.735 -7.384 -10.291 1.00 0.00 N ATOM 1531 CA PHE A 98 9.023 -8.577 -9.502 1.00 0.00 C ATOM 1532 C PHE A 98 10.431 -9.091 -9.788 1.00 0.00 C ATOM 1533 O PHE A 98 11.004 -8.814 -10.842 1.00 0.00 O ATOM 1534 CB PHE A 98 7.997 -9.672 -9.801 1.00 0.00 C ATOM 1535 CG PHE A 98 6.573 -9.214 -9.662 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.954 -8.514 -10.684 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.855 -9.483 -8.508 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.644 -8.091 -10.560 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.544 -9.063 -8.378 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.938 -8.366 -9.405 1.00 0.00 C ATOM 0 H PHE A 98 8.141 -7.549 -11.103 1.00 0.00 H new ATOM 0 HA PHE A 98 8.960 -8.309 -8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.155 -10.039 -10.815 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.167 -10.512 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.502 -8.296 -11.589 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.324 -10.027 -7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.173 -7.546 -11.365 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.994 -9.280 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.914 -8.037 -9.305 1.00 0.00 H new ATOM 1550 N THR A 99 10.984 -9.842 -8.841 1.00 0.00 N ATOM 1551 CA THR A 99 12.325 -10.394 -8.989 1.00 0.00 C ATOM 1552 C THR A 99 12.324 -11.903 -8.777 1.00 0.00 C ATOM 1553 O THR A 99 11.268 -12.519 -8.634 1.00 0.00 O ATOM 1554 CB THR A 99 13.311 -9.748 -7.997 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.388 -10.533 -6.802 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.880 -8.331 -7.651 1.00 0.00 C ATOM 0 H THR A 99 10.524 -10.082 -7.963 1.00 0.00 H new ATOM 0 HA THR A 99 12.648 -10.173 -10.006 1.00 0.00 H new ATOM 0 HB THR A 99 14.293 -9.707 -8.469 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.223 -11.045 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.591 -7.895 -6.949 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.850 -7.728 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.889 -8.353 -7.197 1.00 0.00 H new ATOM 1564 N ALA A 100 13.514 -12.494 -8.759 1.00 0.00 N ATOM 1565 CA ALA A 100 13.651 -13.932 -8.562 1.00 0.00 C ATOM 1566 C ALA A 100 12.669 -14.438 -7.511 1.00 0.00 C ATOM 1567 O ALA A 100 11.661 -15.064 -7.840 1.00 0.00 O ATOM 1568 CB ALA A 100 15.078 -14.277 -8.163 1.00 0.00 C ATOM 0 H ALA A 100 14.398 -11.999 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 100 13.420 -14.426 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.165 -15.354 -8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.763 -13.959 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.330 -13.765 -7.234 1.00 0.00 H new ATOM 1574 N SER A 101 12.969 -14.162 -6.246 1.00 0.00 N ATOM 1575 CA SER A 101 12.114 -14.594 -5.146 1.00 0.00 C ATOM 1576 C SER A 101 11.693 -13.405 -4.287 1.00 0.00 C ATOM 1577 O SER A 101 11.308 -13.568 -3.129 1.00 0.00 O ATOM 1578 CB SER A 101 12.839 -15.629 -4.284 1.00 0.00 C ATOM 1579 OG SER A 101 14.105 -15.148 -3.867 1.00 0.00 O ATOM 0 H SER A 101 13.797 -13.641 -5.957 1.00 0.00 H new ATOM 0 HA SER A 101 11.219 -15.049 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.232 -15.869 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.965 -16.553 -4.848 1.00 0.00 H new ATOM 0 HG SER A 101 14.548 -15.827 -3.316 1.00 0.00 H new ATOM 1585 N ARG A 102 11.768 -12.210 -4.863 1.00 0.00 N ATOM 1586 CA ARG A 102 11.396 -10.994 -4.151 1.00 0.00 C ATOM 1587 C ARG A 102 10.865 -9.939 -5.118 1.00 0.00 C ATOM 1588 O ARG A 102 11.050 -10.045 -6.330 1.00 0.00 O ATOM 1589 CB ARG A 102 12.598 -10.439 -3.384 1.00 0.00 C ATOM 1590 CG ARG A 102 13.613 -9.734 -4.270 1.00 0.00 C ATOM 1591 CD ARG A 102 14.479 -8.774 -3.469 1.00 0.00 C ATOM 1592 NE ARG A 102 15.526 -8.169 -4.288 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.655 -8.789 -4.613 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.881 -10.026 -4.192 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.560 -8.172 -5.362 1.00 0.00 N ATOM 0 H ARG A 102 12.083 -12.058 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 102 10.606 -11.244 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.244 -9.741 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.092 -11.256 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.246 -10.474 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.093 -9.187 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.853 -7.990 -3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.934 -9.307 -2.634 1.00 0.00 H new ATOM 0 HE ARG A 102 15.383 -7.218 -4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.187 -10.504 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.749 -10.500 -4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.389 -7.221 -5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.427 -8.649 -5.611 1.00 0.00 H new ATOM 1609 N ILE A 103 10.204 -8.924 -4.572 1.00 0.00 N ATOM 1610 CA ILE A 103 9.646 -7.850 -5.386 1.00 0.00 C ATOM 1611 C ILE A 103 10.403 -6.545 -5.166 1.00 0.00 C ATOM 1612 O ILE A 103 10.749 -6.198 -4.036 1.00 0.00 O ATOM 1613 CB ILE A 103 8.155 -7.625 -5.075 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.429 -8.966 -4.952 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.513 -6.766 -6.154 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.135 -8.884 -4.172 1.00 0.00 C ATOM 0 H ILE A 103 10.042 -8.822 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 103 9.749 -8.156 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 103 8.073 -7.100 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.218 -9.349 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.090 -9.685 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.459 -6.616 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.016 -5.800 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.603 -7.266 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.675 -9.871 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.341 -8.532 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.455 -8.190 -4.667 1.00 0.00 H new ATOM 1628 N ASP A 104 10.655 -5.823 -6.253 1.00 0.00 N ATOM 1629 CA ASP A 104 11.368 -4.553 -6.179 1.00 0.00 C ATOM 1630 C ASP A 104 10.444 -3.391 -6.530 1.00 0.00 C ATOM 1631 O ASP A 104 9.838 -3.368 -7.601 1.00 0.00 O ATOM 1632 CB ASP A 104 12.573 -4.566 -7.121 1.00 0.00 C ATOM 1633 CG ASP A 104 13.799 -5.190 -6.484 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.784 -5.406 -5.254 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.773 -5.463 -7.216 1.00 0.00 O ATOM 0 H ASP A 104 10.376 -6.096 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 104 11.718 -4.419 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.317 -5.117 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.805 -3.545 -7.424 1.00 0.00 H new ATOM 1640 N ILE A 105 10.342 -2.428 -5.619 1.00 0.00 N ATOM 1641 CA ILE A 105 9.493 -1.263 -5.833 1.00 0.00 C ATOM 1642 C ILE A 105 10.269 0.031 -5.613 1.00 0.00 C ATOM 1643 O ILE A 105 10.649 0.355 -4.487 1.00 0.00 O ATOM 1644 CB ILE A 105 8.269 -1.279 -4.898 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.393 -2.499 -5.190 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.468 0.005 -5.052 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.645 -3.010 -3.979 1.00 0.00 C ATOM 0 H ILE A 105 10.836 -2.432 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 105 9.151 -1.308 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 105 8.618 -1.344 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.675 -2.242 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.019 -3.299 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.606 -0.021 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.097 0.859 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.126 0.099 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.045 -3.875 -4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.358 -3.298 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.993 -2.225 -3.596 1.00 0.00 H new ATOM 1659 N CYS A 106 10.500 0.767 -6.695 1.00 0.00 N ATOM 1660 CA CYS A 106 11.230 2.027 -6.620 1.00 0.00 C ATOM 1661 C CYS A 106 10.285 3.187 -6.324 1.00 0.00 C ATOM 1662 O CYS A 106 9.349 3.449 -7.081 1.00 0.00 O ATOM 1663 CB CYS A 106 11.978 2.285 -7.929 1.00 0.00 C ATOM 1664 SG CYS A 106 13.280 3.533 -7.802 1.00 0.00 S ATOM 0 H CYS A 106 10.192 0.513 -7.634 1.00 0.00 H new ATOM 0 HA CYS A 106 11.951 1.953 -5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.419 1.349 -8.274 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.262 2.599 -8.688 1.00 0.00 H new ATOM 0 HG CYS A 106 13.856 3.679 -8.958 1.00 0.00 H new ATOM 1670 N LEU A 107 10.534 3.878 -5.217 1.00 0.00 N ATOM 1671 CA LEU A 107 9.704 5.010 -4.819 1.00 0.00 C ATOM 1672 C LEU A 107 10.488 6.315 -4.900 1.00 0.00 C ATOM 1673 O LEU A 107 11.599 6.417 -4.379 1.00 0.00 O ATOM 1674 CB LEU A 107 9.177 4.805 -3.397 1.00 0.00 C ATOM 1675 CG LEU A 107 8.109 3.725 -3.226 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.148 3.154 -1.817 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.729 4.285 -3.539 1.00 0.00 C ATOM 0 H LEU A 107 11.304 3.674 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 107 8.861 5.071 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.020 4.560 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.768 5.751 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 107 8.319 2.919 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.381 2.387 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.128 2.715 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.963 3.951 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.981 3.502 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.509 5.110 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.707 4.644 -4.568 1.00 0.00 H new ATOM 1689 N ARG A 108 9.902 7.312 -5.554 1.00 0.00 N ATOM 1690 CA ARG A 108 10.545 8.612 -5.702 1.00 0.00 C ATOM 1691 C ARG A 108 9.868 9.658 -4.821 1.00 0.00 C ATOM 1692 O ARG A 108 8.662 9.882 -4.919 1.00 0.00 O ATOM 1693 CB ARG A 108 10.507 9.060 -7.164 1.00 0.00 C ATOM 1694 CG ARG A 108 10.947 10.500 -7.372 1.00 0.00 C ATOM 1695 CD ARG A 108 12.377 10.719 -6.901 1.00 0.00 C ATOM 1696 NE ARG A 108 13.351 10.144 -7.823 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.639 10.668 -9.009 1.00 0.00 C ATOM 1698 NH1 ARG A 108 13.030 11.774 -9.414 1.00 0.00 N ATOM 1699 NH2 ARG A 108 14.538 10.086 -9.793 1.00 0.00 N ATOM 0 H ARG A 108 8.982 7.244 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 108 11.583 8.513 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.149 8.404 -7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.493 8.940 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.867 10.757 -8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.278 11.168 -6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.564 11.788 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.506 10.274 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 108 13.837 9.293 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.339 12.224 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.253 12.174 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.009 9.235 -9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.758 10.490 -10.704 1.00 0.00 H new ATOM 1713 N LYS A 109 10.653 10.295 -3.958 1.00 0.00 N ATOM 1714 CA LYS A 109 10.131 11.317 -3.059 1.00 0.00 C ATOM 1715 C LYS A 109 10.233 12.701 -3.692 1.00 0.00 C ATOM 1716 O LYS A 109 10.952 12.895 -4.672 1.00 0.00 O ATOM 1717 CB LYS A 109 10.892 11.295 -1.732 1.00 0.00 C ATOM 1718 CG LYS A 109 10.996 9.912 -1.113 1.00 0.00 C ATOM 1719 CD LYS A 109 11.400 9.984 0.349 1.00 0.00 C ATOM 1720 CE LYS A 109 12.867 10.356 0.505 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.416 9.914 1.816 1.00 0.00 N ATOM 0 H LYS A 109 11.654 10.121 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 109 9.080 11.098 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.896 11.689 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.396 11.963 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.038 9.400 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.726 9.320 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.781 10.719 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.215 9.022 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.444 9.903 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.980 11.436 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.417 10.186 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.882 10.366 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.332 8.881 1.897 1.00 0.00 H new