USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00579 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 30 CYS SG : rot 140:sc= -1.58! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.24) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.639 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 56 ASN : amide:sc= 0.366 K(o=0.37,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -121:sc= -1.13 (180deg=-4.46!) USER MOD Single : A 71 HIS : no HE2:sc= -9.92! C(o=-9.9!,f=-10!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -177:sc= -1.95! (180deg=-1.97!) USER MOD Single : A 79 MET CE :methyl 170:sc= 0 (180deg=-0.139) USER MOD Single : A 80 HIS : no HD1:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 83 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.130 7.952 13.659 1.00 0.00 N ATOM 170 CA ALA A 15 4.989 7.112 13.339 1.00 0.00 C ATOM 171 C ALA A 15 4.814 7.054 11.821 1.00 0.00 C ATOM 172 O ALA A 15 4.868 8.081 11.146 1.00 0.00 O ATOM 173 CB ALA A 15 3.745 7.648 14.050 1.00 0.00 C ATOM 0 HA ALA A 15 5.152 6.093 13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.889 7.018 13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.910 7.641 15.127 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.548 8.668 13.720 1.00 0.00 H new ATOM 179 N LEU A 16 4.607 5.842 11.327 1.00 0.00 N ATOM 180 CA LEU A 16 4.424 5.636 9.900 1.00 0.00 C ATOM 181 C LEU A 16 2.962 5.279 9.624 1.00 0.00 C ATOM 182 O LEU A 16 2.256 4.806 10.514 1.00 0.00 O ATOM 183 CB LEU A 16 5.420 4.600 9.375 1.00 0.00 C ATOM 184 CG LEU A 16 6.881 4.809 9.780 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.728 3.587 9.423 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.441 6.094 9.168 1.00 0.00 C ATOM 0 H LEU A 16 4.562 4.992 11.890 1.00 0.00 H new ATOM 0 HA LEU A 16 4.637 6.554 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.105 3.615 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.363 4.590 8.287 1.00 0.00 H new ATOM 0 HG LEU A 16 6.923 4.924 10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.762 3.761 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.342 2.712 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.685 3.416 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.480 6.219 9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.385 6.034 8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.857 6.947 9.515 1.00 0.00 H new ATOM 198 N PRO A 17 2.540 5.524 8.355 1.00 0.00 N ATOM 199 CA PRO A 17 1.175 5.233 7.951 1.00 0.00 C ATOM 200 C PRO A 17 0.966 3.728 7.767 1.00 0.00 C ATOM 201 O PRO A 17 1.895 2.942 7.948 1.00 0.00 O ATOM 202 CB PRO A 17 0.967 6.022 6.669 1.00 0.00 C ATOM 203 CG PRO A 17 2.358 6.354 6.153 1.00 0.00 C ATOM 204 CD PRO A 17 3.348 6.082 7.275 1.00 0.00 C ATOM 0 HA PRO A 17 0.443 5.523 8.705 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.408 5.438 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.394 6.930 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.596 5.748 5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.411 7.397 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.123 5.384 6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.852 6.996 7.589 1.00 0.00 H new ATOM 212 N VAL A 18 -0.259 3.372 7.409 1.00 0.00 N ATOM 213 CA VAL A 18 -0.601 1.976 7.198 1.00 0.00 C ATOM 214 C VAL A 18 -1.116 1.792 5.770 1.00 0.00 C ATOM 215 O VAL A 18 -2.182 2.297 5.421 1.00 0.00 O ATOM 216 CB VAL A 18 -1.603 1.517 8.260 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.131 0.116 7.945 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.983 1.568 9.657 1.00 0.00 C ATOM 0 H VAL A 18 -1.027 4.026 7.260 1.00 0.00 H new ATOM 0 HA VAL A 18 0.281 1.345 7.309 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.448 2.205 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.841 -0.187 8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.629 0.124 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.300 -0.589 7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.716 1.237 10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.112 0.914 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.678 2.590 9.883 1.00 0.00 H new ATOM 228 N LEU A 19 -0.336 1.066 4.982 1.00 0.00 N ATOM 229 CA LEU A 19 -0.701 0.809 3.599 1.00 0.00 C ATOM 230 C LEU A 19 -1.384 -0.557 3.502 1.00 0.00 C ATOM 231 O LEU A 19 -0.744 -1.590 3.694 1.00 0.00 O ATOM 232 CB LEU A 19 0.520 0.952 2.688 1.00 0.00 C ATOM 233 CG LEU A 19 0.254 0.830 1.186 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.155 2.179 0.590 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.459 0.226 0.463 1.00 0.00 C ATOM 0 H LEU A 19 0.547 0.648 5.275 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.419 1.551 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.979 1.922 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.250 0.194 2.970 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.583 0.147 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.338 2.064 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.063 2.532 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.645 2.903 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.243 0.150 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.330 0.864 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.663 -0.767 0.863 1.00 0.00 H new ATOM 247 N THR A 20 -2.674 -0.518 3.204 1.00 0.00 N ATOM 248 CA THR A 20 -3.451 -1.739 3.079 1.00 0.00 C ATOM 249 C THR A 20 -3.240 -2.366 1.699 1.00 0.00 C ATOM 250 O THR A 20 -3.822 -1.916 0.713 1.00 0.00 O ATOM 251 CB THR A 20 -4.913 -1.402 3.376 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.840 -0.406 4.393 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.657 -2.561 4.043 1.00 0.00 C ATOM 0 H THR A 20 -3.201 0.341 3.045 1.00 0.00 H new ATOM 0 HA THR A 20 -3.124 -2.491 3.797 1.00 0.00 H new ATOM 0 HB THR A 20 -5.419 -1.131 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.746 -0.128 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.690 -2.269 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.640 -3.431 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.172 -2.810 4.987 1.00 0.00 H new ATOM 261 N LEU A 21 -2.407 -3.396 1.674 1.00 0.00 N ATOM 262 CA LEU A 21 -2.112 -4.089 0.431 1.00 0.00 C ATOM 263 C LEU A 21 -3.012 -5.321 0.314 1.00 0.00 C ATOM 264 O LEU A 21 -2.998 -6.190 1.184 1.00 0.00 O ATOM 265 CB LEU A 21 -0.619 -4.408 0.336 1.00 0.00 C ATOM 266 CG LEU A 21 -0.236 -5.559 -0.595 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.758 -5.314 -2.013 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.274 -5.803 -0.574 1.00 0.00 C ATOM 0 H LEU A 21 -1.927 -3.767 2.494 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.332 -3.449 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.097 -3.510 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.253 -4.639 1.336 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.713 -6.468 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.472 -6.147 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.844 -5.229 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.330 -4.391 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.519 -6.627 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.793 -4.902 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.588 -6.054 0.439 1.00 0.00 H new ATOM 280 N PHE A 22 -3.774 -5.357 -0.770 1.00 0.00 N ATOM 281 CA PHE A 22 -4.678 -6.468 -1.012 1.00 0.00 C ATOM 282 C PHE A 22 -4.212 -7.304 -2.206 1.00 0.00 C ATOM 283 O PHE A 22 -4.381 -6.899 -3.355 1.00 0.00 O ATOM 284 CB PHE A 22 -6.049 -5.867 -1.329 1.00 0.00 C ATOM 285 CG PHE A 22 -6.755 -5.254 -0.118 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.390 -6.056 0.777 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.747 -3.906 0.063 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.045 -5.487 1.901 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.402 -3.337 1.187 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.037 -4.139 2.082 1.00 0.00 C ATOM 0 H PHE A 22 -3.784 -4.635 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.711 -7.119 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.930 -5.100 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.685 -6.644 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.396 -7.126 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.243 -3.269 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.549 -6.124 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.396 -2.267 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.535 -3.706 2.937 1.00 0.00 H new ATOM 300 N THR A 23 -3.636 -8.455 -1.893 1.00 0.00 N ATOM 301 CA THR A 23 -3.144 -9.351 -2.925 1.00 0.00 C ATOM 302 C THR A 23 -3.946 -10.654 -2.926 1.00 0.00 C ATOM 303 O THR A 23 -4.758 -10.888 -2.032 1.00 0.00 O ATOM 304 CB THR A 23 -1.646 -9.560 -2.697 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.373 -10.817 -3.308 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.304 -9.780 -1.222 1.00 0.00 C ATOM 0 H THR A 23 -3.499 -8.788 -0.939 1.00 0.00 H new ATOM 0 HA THR A 23 -3.279 -8.922 -3.918 1.00 0.00 H new ATOM 0 HB THR A 23 -1.098 -8.696 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.422 -11.030 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.229 -9.923 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.613 -8.910 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.826 -10.664 -0.855 1.00 0.00 H new ATOM 314 N LYS A 24 -3.690 -11.469 -3.939 1.00 0.00 N ATOM 315 CA LYS A 24 -4.377 -12.742 -4.068 1.00 0.00 C ATOM 316 C LYS A 24 -3.531 -13.690 -4.920 1.00 0.00 C ATOM 317 O LYS A 24 -2.427 -13.340 -5.334 1.00 0.00 O ATOM 318 CB LYS A 24 -5.795 -12.534 -4.604 1.00 0.00 C ATOM 319 CG LYS A 24 -5.768 -12.081 -6.065 1.00 0.00 C ATOM 320 CD LYS A 24 -6.935 -12.685 -6.848 1.00 0.00 C ATOM 321 CE LYS A 24 -6.431 -13.552 -8.003 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.352 -14.686 -8.240 1.00 0.00 N ATOM 0 H LYS A 24 -3.016 -11.272 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.496 -13.211 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.360 -13.462 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.311 -11.789 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.817 -10.993 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.825 -12.378 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.553 -13.286 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.568 -11.887 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.346 -12.950 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.433 -13.928 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.995 -15.264 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.412 -15.269 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.297 -14.322 -8.478 1.00 0.00 H new ATOM 385 N LEU A 29 0.846 -9.880 -10.660 1.00 0.00 N ATOM 386 CA LEU A 29 0.862 -8.454 -10.381 1.00 0.00 C ATOM 387 C LEU A 29 1.104 -8.234 -8.887 1.00 0.00 C ATOM 388 O LEU A 29 2.094 -7.614 -8.499 1.00 0.00 O ATOM 389 CB LEU A 29 -0.415 -7.792 -10.902 1.00 0.00 C ATOM 390 CG LEU A 29 -0.885 -8.238 -12.288 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.943 -7.282 -12.842 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.299 -8.399 -13.243 1.00 0.00 C ATOM 0 HA LEU A 29 1.683 -7.971 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.217 -7.984 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.259 -6.713 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.355 -9.217 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.260 -7.622 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.802 -7.262 -12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.522 -6.280 -12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.063 -8.717 -14.221 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.820 -7.446 -13.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.985 -9.149 -12.849 1.00 0.00 H new ATOM 404 N CYS A 30 0.184 -8.753 -8.088 1.00 0.00 N ATOM 405 CA CYS A 30 0.285 -8.620 -6.644 1.00 0.00 C ATOM 406 C CYS A 30 1.744 -8.844 -6.242 1.00 0.00 C ATOM 407 O CYS A 30 2.413 -7.921 -5.782 1.00 0.00 O ATOM 408 CB CYS A 30 -0.660 -9.581 -5.920 1.00 0.00 C ATOM 409 SG CYS A 30 -2.399 -9.158 -6.306 1.00 0.00 S ATOM 0 H CYS A 30 -0.635 -9.267 -8.413 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.023 -7.618 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.451 -10.607 -6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.494 -9.526 -4.844 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.084 -10.250 -6.474 1.00 0.00 H new ATOM 415 N ASP A 31 2.194 -10.076 -6.431 1.00 0.00 N ATOM 416 CA ASP A 31 3.562 -10.433 -6.094 1.00 0.00 C ATOM 417 C ASP A 31 4.497 -9.291 -6.499 1.00 0.00 C ATOM 418 O ASP A 31 5.210 -8.741 -5.660 1.00 0.00 O ATOM 419 CB ASP A 31 4.003 -11.692 -6.842 1.00 0.00 C ATOM 420 CG ASP A 31 3.917 -12.988 -6.033 1.00 0.00 C ATOM 421 OD1 ASP A 31 4.052 -12.893 -4.794 1.00 0.00 O ATOM 422 OD2 ASP A 31 3.719 -14.044 -6.672 1.00 0.00 O ATOM 0 H ASP A 31 1.636 -10.839 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 31 3.608 -10.617 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.390 -11.798 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.032 -11.557 -7.175 1.00 0.00 H new ATOM 427 N GLU A 32 4.463 -8.968 -7.783 1.00 0.00 N ATOM 428 CA GLU A 32 5.299 -7.902 -8.309 1.00 0.00 C ATOM 429 C GLU A 32 5.092 -6.619 -7.502 1.00 0.00 C ATOM 430 O GLU A 32 6.046 -6.057 -6.968 1.00 0.00 O ATOM 431 CB GLU A 32 5.018 -7.667 -9.795 1.00 0.00 C ATOM 432 CG GLU A 32 6.290 -7.248 -10.533 1.00 0.00 C ATOM 433 CD GLU A 32 6.516 -8.116 -11.773 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.359 -9.348 -11.639 1.00 0.00 O ATOM 435 OE2 GLU A 32 6.841 -7.527 -12.827 1.00 0.00 O ATOM 0 H GLU A 32 3.870 -9.426 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 32 6.342 -8.204 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.617 -8.577 -10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.257 -6.895 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.216 -6.201 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.147 -7.332 -9.865 1.00 0.00 H new ATOM 442 N ALA A 33 3.839 -6.193 -7.440 1.00 0.00 N ATOM 443 CA ALA A 33 3.494 -4.986 -6.708 1.00 0.00 C ATOM 444 C ALA A 33 4.363 -4.891 -5.452 1.00 0.00 C ATOM 445 O ALA A 33 5.096 -3.920 -5.272 1.00 0.00 O ATOM 446 CB ALA A 33 1.999 -4.995 -6.383 1.00 0.00 C ATOM 0 H ALA A 33 3.050 -6.662 -7.885 1.00 0.00 H new ATOM 0 HA ALA A 33 3.690 -4.101 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.741 -4.090 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.426 -5.034 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.764 -5.868 -5.774 1.00 0.00 H new ATOM 452 N LYS A 34 4.252 -5.913 -4.616 1.00 0.00 N ATOM 453 CA LYS A 34 5.018 -5.957 -3.382 1.00 0.00 C ATOM 454 C LYS A 34 6.474 -5.589 -3.678 1.00 0.00 C ATOM 455 O LYS A 34 7.048 -4.728 -3.012 1.00 0.00 O ATOM 456 CB LYS A 34 4.854 -7.315 -2.697 1.00 0.00 C ATOM 457 CG LYS A 34 3.396 -7.555 -2.299 1.00 0.00 C ATOM 458 CD LYS A 34 3.023 -9.032 -2.448 1.00 0.00 C ATOM 459 CE LYS A 34 2.559 -9.617 -1.113 1.00 0.00 C ATOM 460 NZ LYS A 34 2.689 -11.092 -1.120 1.00 0.00 N ATOM 0 H LYS A 34 3.643 -6.717 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 34 4.640 -5.221 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.187 -8.107 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.488 -7.359 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.240 -7.239 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.740 -6.946 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.232 -9.138 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.882 -9.593 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.152 -9.198 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.522 -9.338 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.370 -11.473 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.105 -11.488 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.684 -11.352 -1.275 1.00 0.00 H new ATOM 474 N GLU A 35 7.029 -6.260 -4.676 1.00 0.00 N ATOM 475 CA GLU A 35 8.407 -6.014 -5.068 1.00 0.00 C ATOM 476 C GLU A 35 8.622 -4.526 -5.347 1.00 0.00 C ATOM 477 O GLU A 35 9.736 -4.021 -5.218 1.00 0.00 O ATOM 478 CB GLU A 35 8.791 -6.862 -6.282 1.00 0.00 C ATOM 479 CG GLU A 35 8.305 -8.303 -6.121 1.00 0.00 C ATOM 480 CD GLU A 35 9.153 -9.264 -6.957 1.00 0.00 C ATOM 481 OE1 GLU A 35 8.937 -9.288 -8.188 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.999 -9.953 -6.346 1.00 0.00 O ATOM 0 H GLU A 35 6.550 -6.974 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 35 9.057 -6.306 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.360 -6.428 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.873 -6.852 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.351 -8.591 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.261 -8.375 -6.425 1.00 0.00 H new ATOM 489 N VAL A 36 7.538 -3.865 -5.726 1.00 0.00 N ATOM 490 CA VAL A 36 7.594 -2.444 -6.024 1.00 0.00 C ATOM 491 C VAL A 36 7.517 -1.649 -4.719 1.00 0.00 C ATOM 492 O VAL A 36 7.894 -0.479 -4.678 1.00 0.00 O ATOM 493 CB VAL A 36 6.489 -2.073 -7.016 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.683 -0.652 -7.547 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.421 -3.083 -8.163 1.00 0.00 C ATOM 0 H VAL A 36 6.616 -4.287 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 36 8.540 -2.192 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 36 5.538 -2.104 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.884 -0.414 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.658 0.053 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.645 -0.581 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.628 -2.796 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.374 -3.098 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.212 -4.075 -7.762 1.00 0.00 H new ATOM 505 N LEU A 37 7.027 -2.317 -3.685 1.00 0.00 N ATOM 506 CA LEU A 37 6.897 -1.687 -2.382 1.00 0.00 C ATOM 507 C LEU A 37 8.055 -2.132 -1.487 1.00 0.00 C ATOM 508 O LEU A 37 8.175 -1.678 -0.350 1.00 0.00 O ATOM 509 CB LEU A 37 5.516 -1.970 -1.787 1.00 0.00 C ATOM 510 CG LEU A 37 4.325 -1.377 -2.543 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.073 -1.355 -1.664 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.662 0.010 -3.095 1.00 0.00 C ATOM 0 H LEU A 37 6.715 -3.288 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 37 6.964 -0.603 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.382 -3.050 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.498 -1.590 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 37 4.108 -2.020 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.242 -0.929 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.823 -2.372 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.261 -0.749 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.799 0.409 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.920 0.676 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.507 -0.066 -3.779 1.00 0.00 H new ATOM 524 N GLN A 38 8.878 -3.015 -2.034 1.00 0.00 N ATOM 525 CA GLN A 38 10.022 -3.526 -1.299 1.00 0.00 C ATOM 526 C GLN A 38 10.799 -2.375 -0.657 1.00 0.00 C ATOM 527 O GLN A 38 11.074 -2.398 0.541 1.00 0.00 O ATOM 528 CB GLN A 38 10.929 -4.360 -2.206 1.00 0.00 C ATOM 529 CG GLN A 38 10.857 -5.844 -1.839 1.00 0.00 C ATOM 530 CD GLN A 38 12.237 -6.382 -1.457 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.400 -7.127 -0.505 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.220 -5.963 -2.250 1.00 0.00 N ATOM 0 H GLN A 38 8.775 -3.389 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 38 9.656 -4.179 -0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.633 -4.224 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.958 -4.010 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.166 -5.984 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.462 -6.412 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.015 -5.339 -3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.179 -6.266 -2.077 1.00 0.00 H new ATOM 541 N PRO A 39 11.140 -1.368 -1.506 1.00 0.00 N ATOM 542 CA PRO A 39 11.879 -0.209 -1.035 1.00 0.00 C ATOM 543 C PRO A 39 10.975 0.728 -0.230 1.00 0.00 C ATOM 544 O PRO A 39 11.429 1.757 0.268 1.00 0.00 O ATOM 545 CB PRO A 39 12.438 0.438 -2.291 1.00 0.00 C ATOM 546 CG PRO A 39 11.613 -0.108 -3.444 1.00 0.00 C ATOM 547 CD PRO A 39 10.831 -1.306 -2.932 1.00 0.00 C ATOM 0 HA PRO A 39 12.683 -0.473 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.363 1.524 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.493 0.197 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.935 0.656 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.260 -0.400 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.761 -1.182 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.130 -2.222 -3.442 1.00 0.00 H new ATOM 555 N TYR A 40 9.713 0.338 -0.129 1.00 0.00 N ATOM 556 CA TYR A 40 8.742 1.130 0.606 1.00 0.00 C ATOM 557 C TYR A 40 8.127 0.321 1.750 1.00 0.00 C ATOM 558 O TYR A 40 7.019 0.614 2.197 1.00 0.00 O ATOM 559 CB TYR A 40 7.644 1.488 -0.397 1.00 0.00 C ATOM 560 CG TYR A 40 8.132 2.324 -1.582 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.190 3.699 -1.480 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.515 1.703 -2.753 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.650 4.486 -2.595 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.974 2.489 -3.869 1.00 0.00 C ATOM 565 CZ TYR A 40 9.019 3.842 -3.734 1.00 0.00 C ATOM 566 OH TYR A 40 9.453 4.584 -4.788 1.00 0.00 O ATOM 0 H TYR A 40 9.341 -0.516 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 40 9.215 2.011 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.197 0.568 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.857 2.036 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.890 4.185 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.471 0.627 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.701 5.563 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.275 2.015 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 40 9.684 3.991 -5.533 1.00 0.00 H new ATOM 576 N LYS A 41 8.873 -0.681 2.191 1.00 0.00 N ATOM 577 CA LYS A 41 8.415 -1.535 3.274 1.00 0.00 C ATOM 578 C LYS A 41 8.698 -0.849 4.612 1.00 0.00 C ATOM 579 O LYS A 41 7.871 -0.891 5.522 1.00 0.00 O ATOM 580 CB LYS A 41 9.034 -2.929 3.155 1.00 0.00 C ATOM 581 CG LYS A 41 8.520 -3.652 1.908 1.00 0.00 C ATOM 582 CD LYS A 41 8.917 -5.130 1.929 1.00 0.00 C ATOM 583 CE LYS A 41 7.849 -5.974 2.627 1.00 0.00 C ATOM 584 NZ LYS A 41 7.564 -7.199 1.845 1.00 0.00 N ATOM 0 H LYS A 41 9.792 -0.921 1.818 1.00 0.00 H new ATOM 0 HA LYS A 41 7.337 -1.684 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.120 -2.846 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.795 -3.514 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.435 -3.564 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.924 -3.176 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.058 -5.487 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.871 -5.247 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.187 -6.244 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.936 -5.391 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.837 -7.761 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.221 -6.935 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.433 -7.763 1.753 1.00 0.00 H new ATOM 598 N ASP A 42 9.869 -0.234 4.690 1.00 0.00 N ATOM 599 CA ASP A 42 10.270 0.460 5.902 1.00 0.00 C ATOM 600 C ASP A 42 9.687 1.874 5.892 1.00 0.00 C ATOM 601 O ASP A 42 9.691 2.558 6.914 1.00 0.00 O ATOM 602 CB ASP A 42 11.793 0.577 5.991 1.00 0.00 C ATOM 603 CG ASP A 42 12.479 -0.518 6.810 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.571 -1.648 6.283 1.00 0.00 O ATOM 605 OD2 ASP A 42 12.897 -0.201 7.945 1.00 0.00 O ATOM 0 H ASP A 42 10.553 -0.202 3.934 1.00 0.00 H new ATOM 0 HA ASP A 42 9.901 -0.110 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.203 0.565 4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.043 1.545 6.425 1.00 0.00 H new ATOM 610 N ARG A 43 9.200 2.271 4.725 1.00 0.00 N ATOM 611 CA ARG A 43 8.615 3.591 4.569 1.00 0.00 C ATOM 612 C ARG A 43 7.275 3.669 5.303 1.00 0.00 C ATOM 613 O ARG A 43 6.841 4.750 5.697 1.00 0.00 O ATOM 614 CB ARG A 43 8.399 3.927 3.092 1.00 0.00 C ATOM 615 CG ARG A 43 9.698 4.411 2.444 1.00 0.00 C ATOM 616 CD ARG A 43 9.490 5.751 1.734 1.00 0.00 C ATOM 617 NE ARG A 43 9.885 5.637 0.313 1.00 0.00 N ATOM 618 CZ ARG A 43 11.152 5.512 -0.107 1.00 0.00 C ATOM 619 NH1 ARG A 43 12.153 5.484 0.784 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.418 5.415 -1.417 1.00 0.00 N ATOM 0 H ARG A 43 9.199 1.701 3.879 1.00 0.00 H new ATOM 0 HA ARG A 43 9.310 4.313 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.032 3.046 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.633 4.697 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.472 4.515 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.051 3.668 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.445 6.052 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.080 6.526 2.223 1.00 0.00 H new ATOM 0 HE ARG A 43 9.147 5.655 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.951 5.558 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.117 5.389 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.656 5.436 -2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.382 5.320 -1.736 1.00 0.00 H new ATOM 634 N PHE A 44 6.658 2.508 5.465 1.00 0.00 N ATOM 635 CA PHE A 44 5.376 2.430 6.146 1.00 0.00 C ATOM 636 C PHE A 44 5.053 0.989 6.544 1.00 0.00 C ATOM 637 O PHE A 44 5.894 0.101 6.411 1.00 0.00 O ATOM 638 CB PHE A 44 4.316 2.924 5.160 1.00 0.00 C ATOM 639 CG PHE A 44 4.461 2.348 3.750 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.181 1.037 3.519 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.869 3.146 2.727 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.316 0.502 2.211 1.00 0.00 C ATOM 643 CE2 PHE A 44 5.003 2.611 1.419 1.00 0.00 C ATOM 644 CZ PHE A 44 4.724 1.300 1.188 1.00 0.00 C ATOM 0 H PHE A 44 7.022 1.613 5.137 1.00 0.00 H new ATOM 0 HA PHE A 44 5.400 3.032 7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.329 2.669 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.365 4.011 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.856 0.403 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.091 4.187 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.095 -0.539 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.327 3.245 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.826 0.893 0.193 1.00 0.00 H new ATOM 654 N ILE A 45 3.833 0.801 7.026 1.00 0.00 N ATOM 655 CA ILE A 45 3.388 -0.517 7.445 1.00 0.00 C ATOM 656 C ILE A 45 2.517 -1.130 6.346 1.00 0.00 C ATOM 657 O ILE A 45 1.332 -0.818 6.243 1.00 0.00 O ATOM 658 CB ILE A 45 2.697 -0.442 8.808 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.654 0.086 9.879 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.095 -1.795 9.193 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.888 0.797 10.996 1.00 0.00 C ATOM 0 H ILE A 45 3.139 1.540 7.136 1.00 0.00 H new ATOM 0 HA ILE A 45 4.241 -1.181 7.583 1.00 0.00 H new ATOM 0 HB ILE A 45 1.873 0.267 8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.230 -0.740 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.367 0.775 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.610 -1.714 10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.360 -2.092 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.885 -2.544 9.243 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.592 1.163 11.744 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.333 1.637 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.193 0.099 11.462 1.00 0.00 H new ATOM 673 N LEU A 46 3.138 -1.991 5.553 1.00 0.00 N ATOM 674 CA LEU A 46 2.434 -2.649 4.467 1.00 0.00 C ATOM 675 C LEU A 46 1.530 -3.743 5.039 1.00 0.00 C ATOM 676 O LEU A 46 2.014 -4.783 5.484 1.00 0.00 O ATOM 677 CB LEU A 46 3.424 -3.157 3.416 1.00 0.00 C ATOM 678 CG LEU A 46 2.809 -3.772 2.157 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.924 -2.759 1.428 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.893 -4.348 1.244 1.00 0.00 C ATOM 0 H LEU A 46 4.121 -2.248 5.642 1.00 0.00 H new ATOM 0 HA LEU A 46 1.789 -1.941 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.063 -2.326 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.068 -3.902 3.883 1.00 0.00 H new ATOM 0 HG LEU A 46 2.168 -4.600 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.499 -3.222 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.119 -2.437 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.522 -1.895 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.430 -4.779 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.578 -3.554 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.445 -5.122 1.778 1.00 0.00 H new ATOM 692 N GLN A 47 0.234 -3.471 5.009 1.00 0.00 N ATOM 693 CA GLN A 47 -0.742 -4.419 5.520 1.00 0.00 C ATOM 694 C GLN A 47 -1.261 -5.308 4.388 1.00 0.00 C ATOM 695 O GLN A 47 -2.148 -4.907 3.636 1.00 0.00 O ATOM 696 CB GLN A 47 -1.893 -3.696 6.222 1.00 0.00 C ATOM 697 CG GLN A 47 -2.474 -4.554 7.348 1.00 0.00 C ATOM 698 CD GLN A 47 -3.828 -4.011 7.809 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.860 -4.649 7.676 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.767 -2.801 8.357 1.00 0.00 N ATOM 0 H GLN A 47 -0.163 -2.608 4.639 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.252 -5.054 6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.538 -2.749 6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.674 -3.461 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.588 -5.582 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.781 -4.574 8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.870 -2.322 8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.617 -2.352 8.697 1.00 0.00 H new ATOM 709 N GLU A 48 -0.686 -6.499 4.302 1.00 0.00 N ATOM 710 CA GLU A 48 -1.080 -7.447 3.275 1.00 0.00 C ATOM 711 C GLU A 48 -2.361 -8.176 3.688 1.00 0.00 C ATOM 712 O GLU A 48 -2.320 -9.094 4.505 1.00 0.00 O ATOM 713 CB GLU A 48 0.047 -8.441 2.985 1.00 0.00 C ATOM 714 CG GLU A 48 0.836 -8.026 1.742 1.00 0.00 C ATOM 715 CD GLU A 48 2.289 -8.499 1.832 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.479 -9.694 2.144 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.177 -7.654 1.587 1.00 0.00 O ATOM 0 H GLU A 48 0.050 -6.828 4.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.279 -6.895 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.717 -8.498 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.370 -9.437 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.367 -8.446 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.809 -6.942 1.635 1.00 0.00 H new ATOM 724 N VAL A 49 -3.467 -7.739 3.104 1.00 0.00 N ATOM 725 CA VAL A 49 -4.757 -8.339 3.401 1.00 0.00 C ATOM 726 C VAL A 49 -5.021 -9.482 2.419 1.00 0.00 C ATOM 727 O VAL A 49 -4.742 -9.359 1.227 1.00 0.00 O ATOM 728 CB VAL A 49 -5.849 -7.268 3.379 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.235 -7.894 3.546 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.595 -6.204 4.449 1.00 0.00 C ATOM 0 H VAL A 49 -3.497 -6.977 2.427 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.758 -8.765 4.404 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.818 -6.778 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.993 -7.111 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.418 -8.596 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.283 -8.422 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.386 -5.455 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.585 -6.673 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.633 -5.726 4.265 1.00 0.00 H new ATOM 740 N ASP A 50 -5.556 -10.569 2.956 1.00 0.00 N ATOM 741 CA ASP A 50 -5.861 -11.733 2.142 1.00 0.00 C ATOM 742 C ASP A 50 -7.342 -11.707 1.757 1.00 0.00 C ATOM 743 O ASP A 50 -8.206 -12.024 2.573 1.00 0.00 O ATOM 744 CB ASP A 50 -5.597 -13.028 2.913 1.00 0.00 C ATOM 745 CG ASP A 50 -4.181 -13.589 2.769 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.331 -13.203 3.600 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.980 -14.390 1.830 1.00 0.00 O ATOM 0 H ASP A 50 -5.786 -10.668 3.945 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.224 -11.702 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.796 -12.851 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.307 -13.784 2.578 1.00 0.00 H new ATOM 752 N ILE A 51 -7.589 -11.324 0.512 1.00 0.00 N ATOM 753 CA ILE A 51 -8.950 -11.252 0.008 1.00 0.00 C ATOM 754 C ILE A 51 -9.399 -12.645 -0.437 1.00 0.00 C ATOM 755 O ILE A 51 -10.588 -12.881 -0.647 1.00 0.00 O ATOM 756 CB ILE A 51 -9.060 -10.191 -1.088 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.196 -10.559 -2.296 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.721 -8.802 -0.543 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.717 -9.887 -3.568 1.00 0.00 C ATOM 0 H ILE A 51 -6.870 -11.061 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.632 -10.934 0.797 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.095 -10.159 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.165 -10.255 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.191 -11.641 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.807 -8.066 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.413 -8.547 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.701 -8.801 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.085 -10.165 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.740 -10.212 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.698 -8.805 -3.442 1.00 0.00 H new ATOM 771 N THR A 52 -8.424 -13.533 -0.568 1.00 0.00 N ATOM 772 CA THR A 52 -8.704 -14.896 -0.984 1.00 0.00 C ATOM 773 C THR A 52 -9.416 -15.660 0.134 1.00 0.00 C ATOM 774 O THR A 52 -9.833 -16.801 -0.057 1.00 0.00 O ATOM 775 CB THR A 52 -7.384 -15.540 -1.414 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.551 -15.425 -0.264 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.656 -14.724 -2.484 1.00 0.00 C ATOM 0 H THR A 52 -7.439 -13.334 -0.393 1.00 0.00 H new ATOM 0 HA THR A 52 -9.385 -14.917 -1.834 1.00 0.00 H new ATOM 0 HB THR A 52 -7.576 -16.544 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.674 -15.820 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.726 -15.225 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.289 -14.635 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.433 -13.730 -2.095 1.00 0.00 H new ATOM 785 N LEU A 53 -9.534 -14.999 1.276 1.00 0.00 N ATOM 786 CA LEU A 53 -10.189 -15.601 2.425 1.00 0.00 C ATOM 787 C LEU A 53 -11.702 -15.413 2.301 1.00 0.00 C ATOM 788 O LEU A 53 -12.165 -14.546 1.561 1.00 0.00 O ATOM 789 CB LEU A 53 -9.605 -15.048 3.726 1.00 0.00 C ATOM 790 CG LEU A 53 -8.248 -15.617 4.148 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.687 -14.859 5.353 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.343 -17.121 4.410 1.00 0.00 C ATOM 0 H LEU A 53 -9.187 -14.052 1.430 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.002 -16.675 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.508 -13.967 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.319 -15.232 4.529 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.547 -15.477 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.723 -15.283 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.560 -13.808 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.378 -14.946 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.366 -17.501 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.063 -17.307 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.668 -17.629 3.502 1.00 0.00 H new ATOM 804 N PRO A 54 -12.451 -16.261 3.056 1.00 0.00 N ATOM 805 CA PRO A 54 -13.902 -16.196 3.038 1.00 0.00 C ATOM 806 C PRO A 54 -14.407 -14.989 3.831 1.00 0.00 C ATOM 807 O PRO A 54 -15.356 -14.323 3.419 1.00 0.00 O ATOM 808 CB PRO A 54 -14.363 -17.523 3.619 1.00 0.00 C ATOM 809 CG PRO A 54 -13.166 -18.088 4.367 1.00 0.00 C ATOM 810 CD PRO A 54 -11.937 -17.300 3.944 1.00 0.00 C ATOM 0 HA PRO A 54 -14.304 -16.055 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.211 -17.383 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.688 -18.203 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.317 -18.010 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.038 -19.146 4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.427 -16.868 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.215 -17.937 3.433 1.00 0.00 H new ATOM 818 N GLU A 55 -13.750 -14.742 4.955 1.00 0.00 N ATOM 819 CA GLU A 55 -14.120 -13.627 5.810 1.00 0.00 C ATOM 820 C GLU A 55 -13.856 -12.300 5.095 1.00 0.00 C ATOM 821 O GLU A 55 -14.644 -11.363 5.207 1.00 0.00 O ATOM 822 CB GLU A 55 -13.376 -13.689 7.145 1.00 0.00 C ATOM 823 CG GLU A 55 -11.866 -13.547 6.938 1.00 0.00 C ATOM 824 CD GLU A 55 -11.119 -13.650 8.269 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.303 -12.732 9.096 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.380 -14.646 8.429 1.00 0.00 O ATOM 0 H GLU A 55 -12.963 -15.296 5.293 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.187 -13.696 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.733 -12.896 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.591 -14.635 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.514 -14.323 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.648 -12.588 6.468 1.00 0.00 H new ATOM 833 N ASN A 56 -12.743 -12.263 4.376 1.00 0.00 N ATOM 834 CA ASN A 56 -12.365 -11.067 3.643 1.00 0.00 C ATOM 835 C ASN A 56 -12.996 -11.107 2.250 1.00 0.00 C ATOM 836 O ASN A 56 -12.720 -10.246 1.415 1.00 0.00 O ATOM 837 CB ASN A 56 -10.847 -10.983 3.473 1.00 0.00 C ATOM 838 CG ASN A 56 -10.145 -10.923 4.831 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.587 -10.266 5.759 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.030 -11.645 4.896 1.00 0.00 N ATOM 0 H ASN A 56 -12.091 -13.042 4.286 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.713 -10.201 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.492 -11.849 2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.591 -10.099 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.489 -11.671 5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.716 -12.172 4.081 1.00 0.00 H new ATOM 847 N SER A 57 -13.830 -12.115 2.041 1.00 0.00 N ATOM 848 CA SER A 57 -14.501 -12.279 0.764 1.00 0.00 C ATOM 849 C SER A 57 -15.007 -10.925 0.261 1.00 0.00 C ATOM 850 O SER A 57 -15.136 -10.715 -0.944 1.00 0.00 O ATOM 851 CB SER A 57 -15.661 -13.270 0.874 1.00 0.00 C ATOM 852 OG SER A 57 -16.425 -13.334 -0.327 1.00 0.00 O ATOM 0 H SER A 57 -14.056 -12.827 2.736 1.00 0.00 H new ATOM 0 HA SER A 57 -13.782 -12.680 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.271 -14.260 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.309 -12.979 1.701 1.00 0.00 H new ATOM 0 HG SER A 57 -17.155 -13.979 -0.217 1.00 0.00 H new ATOM 858 N THR A 58 -15.278 -10.041 1.210 1.00 0.00 N ATOM 859 CA THR A 58 -15.767 -8.713 0.879 1.00 0.00 C ATOM 860 C THR A 58 -14.696 -7.925 0.123 1.00 0.00 C ATOM 861 O THR A 58 -14.921 -7.490 -1.006 1.00 0.00 O ATOM 862 CB THR A 58 -16.216 -8.038 2.176 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.512 -8.579 2.418 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.466 -6.538 1.999 1.00 0.00 C ATOM 0 H THR A 58 -15.168 -10.218 2.208 1.00 0.00 H new ATOM 0 HA THR A 58 -16.625 -8.762 0.208 1.00 0.00 H new ATOM 0 HB THR A 58 -15.460 -8.192 2.946 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.878 -8.196 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.782 -6.107 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.548 -6.053 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.246 -6.385 1.253 1.00 0.00 H new ATOM 872 N TRP A 59 -13.554 -7.764 0.775 1.00 0.00 N ATOM 873 CA TRP A 59 -12.447 -7.035 0.178 1.00 0.00 C ATOM 874 C TRP A 59 -12.300 -7.503 -1.271 1.00 0.00 C ATOM 875 O TRP A 59 -11.929 -6.721 -2.145 1.00 0.00 O ATOM 876 CB TRP A 59 -11.167 -7.215 0.997 1.00 0.00 C ATOM 877 CG TRP A 59 -11.061 -6.274 2.199 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.134 -6.586 3.500 1.00 0.00 C ATOM 879 CD2 TRP A 59 -10.857 -4.846 2.158 1.00 0.00 C ATOM 880 NE1 TRP A 59 -10.993 -5.468 4.297 1.00 0.00 N ATOM 881 CE2 TRP A 59 -10.819 -4.376 3.455 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.709 -3.979 1.060 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.634 -3.026 3.776 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.525 -2.633 1.399 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.485 -2.145 2.699 1.00 0.00 C ATOM 0 H TRP A 59 -13.371 -8.126 1.711 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.645 -5.963 0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.115 -8.245 1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.306 -7.056 0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.284 -7.587 3.878 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.013 -5.447 5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.735 -4.324 0.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.608 -2.683 4.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.406 -1.924 0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.339 -1.090 2.878 1.00 0.00 H new ATOM 896 N TYR A 60 -12.598 -8.777 -1.482 1.00 0.00 N ATOM 897 CA TYR A 60 -12.504 -9.358 -2.810 1.00 0.00 C ATOM 898 C TYR A 60 -13.720 -8.983 -3.660 1.00 0.00 C ATOM 899 O TYR A 60 -13.573 -8.473 -4.769 1.00 0.00 O ATOM 900 CB TYR A 60 -12.486 -10.874 -2.607 1.00 0.00 C ATOM 901 CG TYR A 60 -12.061 -11.663 -3.847 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.986 -11.954 -4.829 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.754 -12.084 -3.983 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.586 -12.697 -5.997 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.354 -12.826 -5.150 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.290 -13.096 -6.099 1.00 0.00 C ATOM 907 OH TYR A 60 -10.913 -13.798 -7.202 1.00 0.00 O ATOM 0 H TYR A 60 -12.905 -9.423 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.615 -8.995 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.808 -11.112 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.480 -11.201 -2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.009 -11.625 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.031 -11.857 -3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.299 -12.932 -6.774 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.334 -13.161 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.960 -14.016 -7.141 1.00 0.00 H new ATOM 917 N GLU A 61 -14.893 -9.252 -3.107 1.00 0.00 N ATOM 918 CA GLU A 61 -16.134 -8.950 -3.801 1.00 0.00 C ATOM 919 C GLU A 61 -16.155 -7.483 -4.235 1.00 0.00 C ATOM 920 O GLU A 61 -16.926 -7.104 -5.116 1.00 0.00 O ATOM 921 CB GLU A 61 -17.345 -9.280 -2.926 1.00 0.00 C ATOM 922 CG GLU A 61 -17.546 -10.793 -2.816 1.00 0.00 C ATOM 923 CD GLU A 61 -19.001 -11.175 -3.097 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.426 -10.976 -4.256 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.654 -11.657 -2.147 1.00 0.00 O ATOM 0 H GLU A 61 -15.011 -9.676 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.191 -9.574 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.207 -8.855 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.239 -8.820 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.890 -11.303 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.264 -11.129 -1.818 1.00 0.00 H new ATOM 932 N ARG A 62 -15.299 -6.698 -3.598 1.00 0.00 N ATOM 933 CA ARG A 62 -15.210 -5.281 -3.908 1.00 0.00 C ATOM 934 C ARG A 62 -13.984 -5.005 -4.781 1.00 0.00 C ATOM 935 O ARG A 62 -13.989 -4.077 -5.589 1.00 0.00 O ATOM 936 CB ARG A 62 -15.118 -4.443 -2.632 1.00 0.00 C ATOM 937 CG ARG A 62 -13.769 -4.645 -1.939 1.00 0.00 C ATOM 938 CD ARG A 62 -13.544 -3.587 -0.857 1.00 0.00 C ATOM 939 NE ARG A 62 -13.890 -2.246 -1.380 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.233 -1.204 -0.610 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.278 -1.342 0.722 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.530 -0.025 -1.172 1.00 0.00 N ATOM 0 H ARG A 62 -14.661 -7.016 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.115 -5.002 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.252 -3.389 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.925 -4.719 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.730 -5.639 -1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.967 -4.594 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.154 -3.814 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.504 -3.602 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.866 -2.106 -2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.051 -2.240 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.539 -0.549 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.495 0.080 -2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.791 0.768 -0.586 1.00 0.00 H new ATOM 956 N TYR A 63 -12.963 -5.827 -4.589 1.00 0.00 N ATOM 957 CA TYR A 63 -11.733 -5.682 -5.348 1.00 0.00 C ATOM 958 C TYR A 63 -11.189 -7.047 -5.776 1.00 0.00 C ATOM 959 O TYR A 63 -10.229 -7.547 -5.192 1.00 0.00 O ATOM 960 CB TYR A 63 -10.729 -5.020 -4.403 1.00 0.00 C ATOM 961 CG TYR A 63 -11.077 -3.576 -4.037 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.379 -2.666 -5.030 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.091 -3.183 -2.714 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.707 -1.307 -4.686 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.419 -1.824 -2.370 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.711 -0.953 -3.373 1.00 0.00 C ATOM 967 OH TYR A 63 -12.020 0.331 -3.048 1.00 0.00 O ATOM 0 H TYR A 63 -12.962 -6.596 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.906 -5.096 -6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.663 -5.610 -3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.743 -5.039 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.369 -2.974 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.856 -3.895 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.944 -0.585 -5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.433 -1.503 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.985 0.440 -2.075 1.00 0.00 H new ATOM 977 N LYS A 64 -11.827 -7.611 -6.791 1.00 0.00 N ATOM 978 CA LYS A 64 -11.420 -8.908 -7.304 1.00 0.00 C ATOM 979 C LYS A 64 -10.900 -8.746 -8.733 1.00 0.00 C ATOM 980 O LYS A 64 -10.445 -9.712 -9.345 1.00 0.00 O ATOM 981 CB LYS A 64 -12.562 -9.918 -7.175 1.00 0.00 C ATOM 982 CG LYS A 64 -13.771 -9.487 -8.007 1.00 0.00 C ATOM 983 CD LYS A 64 -15.003 -10.326 -7.661 1.00 0.00 C ATOM 984 CE LYS A 64 -16.283 -9.497 -7.781 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.282 -9.937 -6.782 1.00 0.00 N ATOM 0 H LYS A 64 -12.623 -7.193 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.600 -9.312 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.222 -10.900 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.851 -10.013 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.983 -8.433 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.542 -9.591 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.060 -11.187 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.910 -10.713 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.054 -8.441 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.695 -9.598 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.147 -10.246 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.895 -10.728 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.507 -9.146 -6.145 1.00 0.00 H new ATOM 999 N PHE A 65 -10.985 -7.519 -9.225 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.529 -7.218 -10.571 1.00 0.00 C ATOM 1001 C PHE A 65 -9.797 -5.875 -10.615 1.00 0.00 C ATOM 1002 O PHE A 65 -9.535 -5.342 -11.692 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.773 -7.137 -11.457 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.030 -6.666 -10.723 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.136 -5.372 -10.317 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.042 -7.540 -10.477 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.302 -4.935 -9.636 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.209 -7.103 -9.796 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.314 -5.809 -9.390 1.00 0.00 C ATOM 0 H PHE A 65 -11.363 -6.721 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.837 -7.989 -10.910 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.573 -6.458 -12.286 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.964 -8.119 -11.889 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.333 -4.677 -10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.958 -8.567 -10.800 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.385 -3.908 -9.313 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.013 -7.798 -9.601 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.201 -5.476 -8.872 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.489 -5.366 -9.431 1.00 0.00 N ATOM 1020 CA ASP A 66 -8.793 -4.096 -9.321 1.00 0.00 C ATOM 1021 C ASP A 66 -7.409 -4.328 -8.712 1.00 0.00 C ATOM 1022 O ASP A 66 -6.425 -3.738 -9.155 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.553 -3.128 -8.412 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.066 -3.084 -8.635 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.742 -4.005 -8.128 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.512 -2.130 -9.309 1.00 0.00 O ATOM 0 H ASP A 66 -9.709 -5.811 -8.540 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.715 -3.667 -10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.362 -3.402 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.150 -2.125 -8.557 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.377 -5.190 -7.706 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.130 -5.508 -7.032 1.00 0.00 C ATOM 1033 C ILE A 67 -4.995 -5.541 -8.058 1.00 0.00 C ATOM 1034 O ILE A 67 -5.231 -5.769 -9.243 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.270 -6.802 -6.228 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -6.961 -7.889 -7.054 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.988 -6.547 -4.901 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.428 -9.041 -6.163 1.00 0.00 C ATOM 0 H ILE A 67 -8.195 -5.678 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.882 -4.734 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.271 -7.166 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.815 -7.463 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.275 -8.266 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.075 -7.483 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.418 -5.829 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.983 -6.148 -5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.916 -9.800 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.569 -9.481 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.133 -8.665 -5.422 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.755 -5.305 -7.551 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.563 -5.044 -6.135 1.00 0.00 C ATOM 1052 C PRO A 68 -4.019 -3.629 -5.771 1.00 0.00 C ATOM 1053 O PRO A 68 -3.645 -2.663 -6.434 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.080 -5.271 -5.891 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.416 -5.196 -7.256 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.508 -5.280 -8.310 1.00 0.00 C ATOM 0 HA PRO A 68 -4.162 -5.698 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.675 -4.515 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.905 -6.240 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.857 -4.266 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.703 -6.011 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.473 -4.425 -8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.399 -6.175 -8.922 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.820 -3.553 -4.719 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.331 -2.273 -4.259 1.00 0.00 C ATOM 1066 C VAL A 69 -4.463 -1.766 -3.106 1.00 0.00 C ATOM 1067 O VAL A 69 -4.064 -2.541 -2.238 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.809 -2.404 -3.882 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.348 -1.089 -3.315 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.641 -2.868 -5.079 1.00 0.00 C ATOM 0 H VAL A 69 -5.128 -4.357 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.277 -1.532 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.891 -3.163 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.400 -1.209 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.782 -0.818 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.246 -0.302 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.687 -2.953 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.550 -2.143 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.280 -3.839 -5.419 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.196 -0.469 -3.134 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.382 0.150 -2.101 1.00 0.00 C ATOM 1082 C PHE A 70 -4.139 1.288 -1.415 1.00 0.00 C ATOM 1083 O PHE A 70 -4.529 2.259 -2.063 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.142 0.722 -2.792 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.288 -0.327 -3.506 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.570 -0.675 -4.790 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.247 -0.913 -2.856 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.777 -1.649 -5.453 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.546 -1.887 -3.519 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.265 -2.234 -4.803 1.00 0.00 C ATOM 0 H PHE A 70 -4.529 0.171 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.121 -0.587 -1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.456 1.474 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.528 1.232 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.397 -0.210 -5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.023 -0.638 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.001 -1.925 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.373 -2.352 -3.003 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.869 -2.974 -5.307 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.325 1.132 -0.112 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.029 2.134 0.669 1.00 0.00 C ATOM 1102 C HIS A 71 -4.069 2.766 1.678 1.00 0.00 C ATOM 1103 O HIS A 71 -3.551 2.083 2.560 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.272 1.534 1.329 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.308 1.036 0.350 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.510 0.478 0.749 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.309 1.017 -1.014 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.196 0.142 -0.334 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.449 0.477 -1.425 1.00 0.00 N ATOM 0 H HIS A 71 -4.000 0.326 0.422 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.385 2.928 0.012 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.967 0.708 1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.728 2.286 1.973 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.816 0.347 1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.516 1.380 -1.651 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.174 -0.316 -0.350 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.859 4.064 1.514 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.970 4.796 2.400 1.00 0.00 C ATOM 1119 C LEU A 72 -3.801 5.654 3.356 1.00 0.00 C ATOM 1120 O LEU A 72 -4.581 6.500 2.918 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.946 5.594 1.591 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.477 5.363 1.953 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.420 6.422 1.309 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.290 5.300 3.470 1.00 0.00 C ATOM 0 H LEU A 72 -4.289 4.627 0.781 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.391 4.106 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.081 5.356 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.166 6.655 1.709 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.174 4.396 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.458 6.234 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.316 6.376 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.125 7.411 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.763 5.135 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.616 6.239 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.883 4.480 3.876 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.607 5.407 4.643 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.330 6.146 5.664 1.00 0.00 C ATOM 1138 C ASN A 73 -5.829 5.883 5.514 1.00 0.00 C ATOM 1139 O ASN A 73 -6.626 6.819 5.466 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.097 7.652 5.522 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.858 8.092 6.304 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -2.892 8.298 7.506 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.766 8.224 5.557 1.00 0.00 N ATOM 0 H ASN A 73 -2.960 4.705 5.002 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.970 5.815 6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.976 7.907 4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.971 8.194 5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.887 8.514 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.807 8.035 4.555 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.169 4.605 5.443 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.559 4.206 5.298 1.00 0.00 C ATOM 1152 C GLY A 74 -8.229 4.962 4.149 1.00 0.00 C ATOM 1153 O GLY A 74 -9.376 5.390 4.268 1.00 0.00 O ATOM 0 H GLY A 74 -5.506 3.831 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.616 3.133 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.095 4.399 6.227 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.485 5.101 3.062 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.993 5.797 1.892 1.00 0.00 C ATOM 1159 C GLN A 75 -7.290 5.295 0.629 1.00 0.00 C ATOM 1160 O GLN A 75 -6.067 5.372 0.522 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.834 7.312 2.042 1.00 0.00 C ATOM 1162 CG GLN A 75 -8.610 8.056 0.954 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.856 8.730 1.533 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -9.873 9.915 1.823 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.893 7.912 1.684 1.00 0.00 N ATOM 0 H GLN A 75 -6.534 4.744 2.967 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.058 5.584 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.190 7.623 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.778 7.578 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.968 8.806 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.901 7.359 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.811 6.930 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.771 8.266 2.063 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.094 4.793 -0.297 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.565 4.278 -1.548 1.00 0.00 C ATOM 1176 C PHE A 76 -6.506 5.221 -2.125 1.00 0.00 C ATOM 1177 O PHE A 76 -6.831 6.302 -2.612 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.737 4.189 -2.527 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.354 4.458 -3.984 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.485 3.629 -4.622 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.883 5.525 -4.640 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.129 3.879 -5.974 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.528 5.774 -5.992 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.658 4.946 -6.631 1.00 0.00 C ATOM 0 H PHE A 76 -9.108 4.732 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.098 3.307 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.181 3.196 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.503 4.903 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.066 2.781 -4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.573 6.183 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.438 3.222 -6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.949 6.621 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.388 5.136 -7.659 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.260 4.776 -2.050 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.151 5.566 -2.558 1.00 0.00 C ATOM 1196 C LEU A 77 -4.011 5.331 -4.063 1.00 0.00 C ATOM 1197 O LEU A 77 -3.853 6.279 -4.831 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.876 5.269 -1.767 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.658 4.848 -2.592 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -0.984 6.063 -3.233 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.680 4.029 -1.748 1.00 0.00 C ATOM 0 H LEU A 77 -4.994 3.878 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.344 6.630 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.612 6.158 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.094 4.479 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.000 4.204 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.121 5.736 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.693 6.568 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.657 6.751 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.176 3.743 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.339 4.627 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.179 3.133 -1.380 1.00 0.00 H new ATOM 1213 N MET A 78 -4.074 4.062 -4.440 1.00 0.00 N ATOM 1214 CA MET A 78 -3.956 3.691 -5.840 1.00 0.00 C ATOM 1215 C MET A 78 -4.189 2.191 -6.031 1.00 0.00 C ATOM 1216 O MET A 78 -3.897 1.395 -5.139 1.00 0.00 O ATOM 1217 CB MET A 78 -2.561 4.059 -6.350 1.00 0.00 C ATOM 1218 CG MET A 78 -1.515 3.058 -5.856 1.00 0.00 C ATOM 1219 SD MET A 78 0.125 3.725 -6.087 1.00 0.00 S ATOM 1220 CE MET A 78 1.038 2.708 -4.938 1.00 0.00 C ATOM 0 H MET A 78 -4.205 3.278 -3.800 1.00 0.00 H new ATOM 0 HA MET A 78 -4.714 4.233 -6.405 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.562 4.081 -7.440 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.299 5.061 -6.011 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.681 2.836 -4.802 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.614 2.118 -6.399 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.079 3.029 -4.916 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.607 2.807 -3.942 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.986 1.666 -5.254 1.00 0.00 H new ATOM 1230 N MET A 79 -4.714 1.850 -7.198 1.00 0.00 N ATOM 1231 CA MET A 79 -4.990 0.460 -7.518 1.00 0.00 C ATOM 1232 C MET A 79 -4.773 0.185 -9.007 1.00 0.00 C ATOM 1233 O MET A 79 -4.715 1.114 -9.811 1.00 0.00 O ATOM 1234 CB MET A 79 -6.436 0.127 -7.143 1.00 0.00 C ATOM 1235 CG MET A 79 -7.422 0.935 -7.990 1.00 0.00 C ATOM 1236 SD MET A 79 -9.081 0.326 -7.741 1.00 0.00 S ATOM 1237 CE MET A 79 -9.787 1.706 -6.855 1.00 0.00 C ATOM 0 H MET A 79 -4.956 2.513 -7.934 1.00 0.00 H new ATOM 0 HA MET A 79 -4.303 -0.167 -6.949 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.616 -0.938 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.600 0.339 -6.086 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.368 1.989 -7.719 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.153 0.863 -9.044 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.866 1.573 -6.774 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.352 1.759 -5.857 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.575 2.630 -7.392 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.658 -1.095 -9.330 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.448 -1.503 -10.708 1.00 0.00 C ATOM 1249 C HIS A 80 -2.950 -1.518 -11.017 1.00 0.00 C ATOM 1250 O HIS A 80 -2.551 -1.673 -12.170 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.241 -0.611 -11.666 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.657 -0.337 -11.219 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.294 0.871 -11.444 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.553 -1.127 -10.560 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.516 0.801 -10.937 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.675 -0.438 -10.390 1.00 0.00 N ATOM 0 H HIS A 80 -4.706 -1.863 -8.661 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.824 -2.516 -10.851 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.717 0.338 -11.781 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.266 -1.082 -12.649 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.379 -2.141 -10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.256 1.587 -10.954 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.517 -0.779 -9.927 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.160 -1.355 -9.965 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.714 -1.349 -10.109 1.00 0.00 C ATOM 1266 C ARG A 81 -0.066 -0.631 -8.923 1.00 0.00 C ATOM 1267 O ARG A 81 -0.736 -0.321 -7.939 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.293 -0.657 -11.407 1.00 0.00 C ATOM 1269 CG ARG A 81 0.122 -1.682 -12.465 1.00 0.00 C ATOM 1270 CD ARG A 81 1.630 -1.630 -12.715 1.00 0.00 C ATOM 1271 NE ARG A 81 2.229 -2.963 -12.476 1.00 0.00 N ATOM 1272 CZ ARG A 81 2.137 -3.992 -13.329 1.00 0.00 C ATOM 1273 NH1 ARG A 81 1.470 -3.849 -14.482 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.711 -5.165 -13.029 1.00 0.00 N ATOM 0 H ARG A 81 -2.494 -1.226 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.379 -2.386 -10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.117 -0.052 -11.785 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.536 0.022 -11.209 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.162 -2.682 -12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.412 -1.487 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.826 -1.312 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.091 -0.892 -12.058 1.00 0.00 H new ATOM 0 HE ARG A 81 2.744 -3.107 -11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.032 -2.957 -14.711 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.400 -4.633 -15.131 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.218 -5.275 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.641 -5.948 -13.679 1.00 0.00 H new ATOM 1288 N VAL A 82 1.229 -0.388 -9.056 1.00 0.00 N ATOM 1289 CA VAL A 82 1.975 0.288 -8.008 1.00 0.00 C ATOM 1290 C VAL A 82 2.695 1.501 -8.600 1.00 0.00 C ATOM 1291 O VAL A 82 3.837 1.394 -9.043 1.00 0.00 O ATOM 1292 CB VAL A 82 2.926 -0.697 -7.325 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.513 -0.095 -6.046 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.225 -2.025 -7.034 1.00 0.00 C ATOM 0 H VAL A 82 1.781 -0.647 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 82 1.300 0.657 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 82 3.750 -0.897 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.185 -0.815 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.066 0.812 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.706 0.148 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.924 -2.706 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.373 -1.850 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.878 -2.466 -7.969 1.00 0.00 H new ATOM 1304 N ASN A 83 1.996 2.627 -8.589 1.00 0.00 N ATOM 1305 CA ASN A 83 2.555 3.859 -9.120 1.00 0.00 C ATOM 1306 C ASN A 83 3.330 4.580 -8.016 1.00 0.00 C ATOM 1307 O ASN A 83 2.824 5.524 -7.412 1.00 0.00 O ATOM 1308 CB ASN A 83 1.450 4.797 -9.612 1.00 0.00 C ATOM 1309 CG ASN A 83 1.088 4.501 -11.069 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.841 3.892 -11.811 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.103 4.965 -11.435 1.00 0.00 N ATOM 0 H ASN A 83 1.048 2.712 -8.221 1.00 0.00 H new ATOM 0 HA ASN A 83 3.208 3.601 -9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.566 4.685 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.778 5.832 -9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.436 4.819 -12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.683 5.467 -10.763 1.00 0.00 H new ATOM 1318 N THR A 84 4.546 4.107 -7.786 1.00 0.00 N ATOM 1319 CA THR A 84 5.397 4.695 -6.765 1.00 0.00 C ATOM 1320 C THR A 84 5.210 6.213 -6.725 1.00 0.00 C ATOM 1321 O THR A 84 4.861 6.772 -5.686 1.00 0.00 O ATOM 1322 CB THR A 84 6.838 4.267 -7.046 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.101 4.771 -8.353 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.981 2.751 -7.195 1.00 0.00 C ATOM 0 H THR A 84 4.962 3.323 -8.289 1.00 0.00 H new ATOM 0 HA THR A 84 5.126 4.339 -5.771 1.00 0.00 H new ATOM 0 HB THR A 84 7.483 4.614 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.017 4.540 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.023 2.502 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.660 2.263 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.362 2.407 -8.023 1.00 0.00 H new ATOM 1332 N SER A 85 5.453 6.837 -7.868 1.00 0.00 N ATOM 1333 CA SER A 85 5.316 8.280 -7.977 1.00 0.00 C ATOM 1334 C SER A 85 4.126 8.757 -7.142 1.00 0.00 C ATOM 1335 O SER A 85 4.215 9.769 -6.449 1.00 0.00 O ATOM 1336 CB SER A 85 5.148 8.709 -9.435 1.00 0.00 C ATOM 1337 OG SER A 85 6.218 9.542 -9.874 1.00 0.00 O ATOM 0 H SER A 85 5.744 6.370 -8.727 1.00 0.00 H new ATOM 0 HA SER A 85 6.227 8.740 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.094 7.824 -10.069 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.204 9.241 -9.550 1.00 0.00 H new ATOM 0 HG SER A 85 6.074 9.793 -10.810 1.00 0.00 H new ATOM 1343 N LYS A 86 3.038 8.006 -7.237 1.00 0.00 N ATOM 1344 CA LYS A 86 1.831 8.339 -6.500 1.00 0.00 C ATOM 1345 C LYS A 86 2.065 8.091 -5.009 1.00 0.00 C ATOM 1346 O LYS A 86 1.872 8.988 -4.189 1.00 0.00 O ATOM 1347 CB LYS A 86 0.630 7.582 -7.069 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.580 8.507 -7.219 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.349 8.198 -8.505 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.488 7.211 -8.239 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.792 7.820 -8.584 1.00 0.00 N ATOM 0 H LYS A 86 2.968 7.168 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 86 1.594 9.397 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.890 7.157 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.377 6.749 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.240 8.391 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.249 9.546 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.752 9.121 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.669 7.782 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.336 6.305 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.484 6.916 -7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.554 7.137 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.941 8.672 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.798 8.080 -9.591 1.00 0.00 H new ATOM 1365 N LEU A 87 2.477 6.870 -4.702 1.00 0.00 N ATOM 1366 CA LEU A 87 2.739 6.492 -3.324 1.00 0.00 C ATOM 1367 C LEU A 87 3.646 7.541 -2.676 1.00 0.00 C ATOM 1368 O LEU A 87 3.236 8.230 -1.743 1.00 0.00 O ATOM 1369 CB LEU A 87 3.298 5.070 -3.255 1.00 0.00 C ATOM 1370 CG LEU A 87 4.190 4.757 -2.052 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.446 5.007 -0.738 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.743 3.333 -2.135 1.00 0.00 C ATOM 0 H LEU A 87 2.636 6.129 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 87 1.812 6.473 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.461 4.372 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.869 4.881 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 87 5.043 5.435 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.102 4.777 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.142 6.052 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.563 4.370 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.374 3.136 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.917 2.622 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.333 3.224 -3.045 1.00 0.00 H new ATOM 1384 N GLU A 88 4.861 7.628 -3.196 1.00 0.00 N ATOM 1385 CA GLU A 88 5.829 8.581 -2.680 1.00 0.00 C ATOM 1386 C GLU A 88 5.155 9.926 -2.403 1.00 0.00 C ATOM 1387 O GLU A 88 5.265 10.465 -1.302 1.00 0.00 O ATOM 1388 CB GLU A 88 7.005 8.746 -3.645 1.00 0.00 C ATOM 1389 CG GLU A 88 7.483 7.388 -4.164 1.00 0.00 C ATOM 1390 CD GLU A 88 8.982 7.415 -4.471 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.760 7.214 -3.514 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.315 7.637 -5.655 1.00 0.00 O ATOM 0 H GLU A 88 5.198 7.054 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 88 6.224 8.194 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.707 9.375 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.826 9.256 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.274 6.617 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.928 7.123 -5.064 1.00 0.00 H new ATOM 1399 N LYS A 89 4.471 10.429 -3.420 1.00 0.00 N ATOM 1400 CA LYS A 89 3.778 11.701 -3.300 1.00 0.00 C ATOM 1401 C LYS A 89 2.985 11.723 -1.992 1.00 0.00 C ATOM 1402 O LYS A 89 3.158 12.623 -1.172 1.00 0.00 O ATOM 1403 CB LYS A 89 2.925 11.966 -4.541 1.00 0.00 C ATOM 1404 CG LYS A 89 2.730 13.467 -4.763 1.00 0.00 C ATOM 1405 CD LYS A 89 1.712 14.040 -3.776 1.00 0.00 C ATOM 1406 CE LYS A 89 0.983 15.243 -4.377 1.00 0.00 C ATOM 1407 NZ LYS A 89 0.098 15.870 -3.369 1.00 0.00 N ATOM 0 H LYS A 89 4.382 9.979 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 89 4.494 12.522 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.403 11.525 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.955 11.482 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.684 13.982 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.393 13.646 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.989 13.270 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.218 14.338 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.708 15.973 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.395 14.926 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.389 16.685 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.606 15.176 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.666 16.190 -2.559 1.00 0.00 H new ATOM 1421 N GLN A 90 2.131 10.721 -1.838 1.00 0.00 N ATOM 1422 CA GLN A 90 1.310 10.614 -0.644 1.00 0.00 C ATOM 1423 C GLN A 90 2.191 10.619 0.608 1.00 0.00 C ATOM 1424 O GLN A 90 2.009 11.450 1.496 1.00 0.00 O ATOM 1425 CB GLN A 90 0.433 9.362 -0.692 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.634 9.482 -1.782 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.434 10.777 -1.626 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.451 10.832 -0.955 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.918 11.813 -2.282 1.00 0.00 N ATOM 0 H GLN A 90 1.990 9.976 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 90 0.648 11.479 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.054 8.486 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.046 9.212 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.160 9.459 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.307 8.626 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.063 11.698 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.378 12.723 -2.241 1.00 0.00 H new ATOM 1438 N LEU A 91 3.126 9.681 0.638 1.00 0.00 N ATOM 1439 CA LEU A 91 4.035 9.567 1.766 1.00 0.00 C ATOM 1440 C LEU A 91 4.441 10.966 2.232 1.00 0.00 C ATOM 1441 O LEU A 91 4.205 11.334 3.382 1.00 0.00 O ATOM 1442 CB LEU A 91 5.222 8.669 1.409 1.00 0.00 C ATOM 1443 CG LEU A 91 4.950 7.164 1.415 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.945 6.423 0.520 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.945 6.614 2.843 1.00 0.00 C ATOM 0 H LEU A 91 3.274 8.993 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 91 3.539 9.082 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.579 8.950 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.031 8.875 2.110 1.00 0.00 H new ATOM 0 HG LEU A 91 3.956 6.995 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.729 5.355 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.857 6.790 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.959 6.596 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.749 5.542 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.915 6.796 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.167 7.112 3.422 1.00 0.00 H new