USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 463 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 15 TYR OH : rot -97:sc= 0.354 USER MOD Set 1.2: A 27 CYS SG : rot -176:sc= 1.62 USER MOD Set 1.3: A 38 HIS : no HD1:sc= -2.89! C(o=-7.3!,f=-7.4!) USER MOD Set 1.4: A 51 CYS SG : rot -127:sc= -2.93! USER MOD Set 1.5: A 54 CYS SG : rot 139:sc= -3.49! USER MOD Single : A 8 HIS : no HD1:sc= -3.02! C(o=-3!,f=-7.3!) USER MOD Single : A 10 GLN : amide:sc= 0.418 X(o=0.42,f=-0.026) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -150:sc= 0 (180deg=-1.67) USER MOD Single : A 43 MET CE :methyl 167:sc= -0.898 (180deg=-1.29) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -144:sc= -1.18 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.18) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -26:sc= 1.23 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 83:sc= 1.17 USER MOD Single : A 65 SER OG : rot 180:sc= -0.132 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0986 K(o=-0.099,f=-0.75) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 17:sc= 0.107 USER MOD Single : A 70 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -141:sc= 0.676 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.085 K(o=-0.085,f=-0.7!) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -6.568 -6.295 -0.264 1.00 0.00 N ATOM 78 CA ILE A 6 -5.973 -5.351 0.670 1.00 0.00 C ATOM 79 C ILE A 6 -6.475 -3.932 0.413 1.00 0.00 C ATOM 80 O ILE A 6 -6.941 -3.616 -0.687 1.00 0.00 O ATOM 81 CB ILE A 6 -4.429 -5.367 0.586 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.959 -5.005 -0.829 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.893 -6.732 0.997 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.455 -4.871 -0.960 1.00 0.00 C ATOM 0 HA ILE A 6 -6.275 -5.664 1.670 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.037 -4.618 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.308 -5.769 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.425 -4.066 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.805 -6.730 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.196 -6.949 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.294 -7.496 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.201 -4.614 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.100 -4.087 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.981 -5.816 -0.694 1.00 0.00 H new ATOM 96 N PRO A 7 -6.417 -3.068 1.435 1.00 0.00 N ATOM 97 CA PRO A 7 -6.789 -1.660 1.298 1.00 0.00 C ATOM 98 C PRO A 7 -5.871 -0.930 0.321 1.00 0.00 C ATOM 99 O PRO A 7 -4.648 -0.990 0.434 1.00 0.00 O ATOM 100 CB PRO A 7 -6.624 -1.096 2.715 1.00 0.00 C ATOM 101 CG PRO A 7 -6.624 -2.287 3.607 1.00 0.00 C ATOM 102 CD PRO A 7 -6.002 -3.391 2.807 1.00 0.00 C ATOM 0 HA PRO A 7 -7.798 -1.538 0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.696 -0.532 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.437 -0.415 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.056 -2.095 4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.637 -2.548 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.917 -3.404 2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.363 -4.371 3.119 1.00 0.00 H new ATOM 110 N HIS A 8 -6.471 -0.245 -0.639 1.00 0.00 N ATOM 111 CA HIS A 8 -5.712 0.478 -1.650 1.00 0.00 C ATOM 112 C HIS A 8 -5.572 1.942 -1.260 1.00 0.00 C ATOM 113 O HIS A 8 -6.559 2.611 -0.947 1.00 0.00 O ATOM 114 CB HIS A 8 -6.348 0.329 -3.045 1.00 0.00 C ATOM 115 CG HIS A 8 -7.849 0.396 -3.071 1.00 0.00 C ATOM 116 ND1 HIS A 8 -8.557 1.553 -3.309 1.00 0.00 N ATOM 117 CD2 HIS A 8 -8.775 -0.578 -2.905 1.00 0.00 C ATOM 118 CE1 HIS A 8 -9.848 1.288 -3.289 1.00 0.00 C ATOM 119 NE2 HIS A 8 -10.006 0.003 -3.047 1.00 0.00 N ATOM 0 H HIS A 8 -7.483 -0.174 -0.741 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.715 0.041 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.953 1.112 -3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.035 -0.625 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.579 -1.620 -2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.642 2.003 -3.445 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.901 -0.481 -2.977 1.00 0.00 H new ATOM 128 N PHE A 9 -4.341 2.433 -1.280 1.00 0.00 N ATOM 129 CA PHE A 9 -4.040 3.762 -0.767 1.00 0.00 C ATOM 130 C PHE A 9 -3.549 4.710 -1.863 1.00 0.00 C ATOM 131 O PHE A 9 -3.205 4.287 -2.968 1.00 0.00 O ATOM 132 CB PHE A 9 -2.981 3.666 0.337 1.00 0.00 C ATOM 133 CG PHE A 9 -3.439 2.936 1.571 1.00 0.00 C ATOM 134 CD1 PHE A 9 -4.303 3.541 2.470 1.00 0.00 C ATOM 135 CD2 PHE A 9 -3.000 1.650 1.833 1.00 0.00 C ATOM 136 CE1 PHE A 9 -4.720 2.875 3.606 1.00 0.00 C ATOM 137 CE2 PHE A 9 -3.411 0.979 2.968 1.00 0.00 C ATOM 138 CZ PHE A 9 -4.273 1.593 3.857 1.00 0.00 C ATOM 0 H PHE A 9 -3.533 1.930 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.967 4.172 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.100 3.163 -0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.673 4.673 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.654 4.545 2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.327 1.165 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.395 3.357 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.059 -0.024 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.596 1.071 4.746 1.00 0.00 H new ATOM 148 N GLN A 10 -3.534 5.995 -1.521 1.00 0.00 N ATOM 149 CA GLN A 10 -3.055 7.071 -2.386 1.00 0.00 C ATOM 150 C GLN A 10 -2.873 8.309 -1.524 1.00 0.00 C ATOM 151 O GLN A 10 -3.630 8.505 -0.588 1.00 0.00 O ATOM 152 CB GLN A 10 -4.063 7.360 -3.503 1.00 0.00 C ATOM 153 CG GLN A 10 -5.411 7.871 -3.002 1.00 0.00 C ATOM 154 CD GLN A 10 -5.588 9.369 -3.170 1.00 0.00 C ATOM 155 OE1 GLN A 10 -6.036 9.839 -4.214 1.00 0.00 O ATOM 156 NE2 GLN A 10 -5.266 10.127 -2.133 1.00 0.00 N ATOM 0 H GLN A 10 -3.862 6.326 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.114 6.781 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.636 8.097 -4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.222 6.449 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.208 7.356 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.519 7.616 -1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.897 9.699 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.387 11.139 -2.184 1.00 0.00 H new ATOM 210 N GLY A 14 0.949 14.372 0.433 1.00 0.00 N ATOM 211 CA GLY A 14 2.356 14.025 0.519 1.00 0.00 C ATOM 212 C GLY A 14 2.794 13.094 -0.592 1.00 0.00 C ATOM 213 O GLY A 14 3.321 13.548 -1.609 1.00 0.00 O ATOM 0 HA2 GLY A 14 2.954 14.936 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.552 13.553 1.482 1.00 0.00 H new ATOM 217 N TYR A 15 2.579 11.792 -0.376 1.00 0.00 N ATOM 218 CA TYR A 15 2.910 10.734 -1.345 1.00 0.00 C ATOM 219 C TYR A 15 4.406 10.419 -1.342 1.00 0.00 C ATOM 220 O TYR A 15 4.806 9.281 -1.572 1.00 0.00 O ATOM 221 CB TYR A 15 2.438 11.104 -2.758 1.00 0.00 C ATOM 222 CG TYR A 15 2.551 9.983 -3.767 1.00 0.00 C ATOM 223 CD1 TYR A 15 1.582 8.992 -3.838 1.00 0.00 C ATOM 224 CD2 TYR A 15 3.620 9.923 -4.652 1.00 0.00 C ATOM 225 CE1 TYR A 15 1.675 7.969 -4.762 1.00 0.00 C ATOM 226 CE2 TYR A 15 3.721 8.903 -5.579 1.00 0.00 C ATOM 227 CZ TYR A 15 2.747 7.929 -5.630 1.00 0.00 C ATOM 228 OH TYR A 15 2.848 6.911 -6.551 1.00 0.00 O ATOM 0 H TYR A 15 2.166 11.436 0.486 1.00 0.00 H new ATOM 0 HA TYR A 15 2.378 9.835 -1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.398 11.428 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.020 11.955 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.742 9.021 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.384 10.685 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.913 7.205 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.559 8.869 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 15 3.435 6.209 -6.200 1.00 0.00 H new ATOM 238 N LYS A 16 5.223 11.422 -1.063 1.00 0.00 N ATOM 239 CA LYS A 16 6.670 11.253 -1.034 1.00 0.00 C ATOM 240 C LYS A 16 7.081 10.335 0.113 1.00 0.00 C ATOM 241 O LYS A 16 7.917 9.443 -0.055 1.00 0.00 O ATOM 242 CB LYS A 16 7.349 12.616 -0.892 1.00 0.00 C ATOM 243 CG LYS A 16 6.936 13.605 -1.971 1.00 0.00 C ATOM 244 CD LYS A 16 7.452 15.001 -1.685 1.00 0.00 C ATOM 245 CE LYS A 16 6.967 15.991 -2.729 1.00 0.00 C ATOM 246 NZ LYS A 16 7.386 17.378 -2.408 1.00 0.00 N ATOM 0 H LYS A 16 4.907 12.369 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 16 6.987 10.793 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.110 13.034 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.430 12.482 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.315 13.269 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.849 13.628 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.120 15.319 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.542 14.992 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.359 15.710 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.880 15.946 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.036 18.025 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.992 17.655 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.424 17.427 -2.369 1.00 0.00 H new ATOM 260 N ILE A 17 6.491 10.564 1.277 1.00 0.00 N ATOM 261 CA ILE A 17 6.730 9.725 2.445 1.00 0.00 C ATOM 262 C ILE A 17 5.405 9.358 3.100 1.00 0.00 C ATOM 263 O ILE A 17 4.712 10.222 3.641 1.00 0.00 O ATOM 264 CB ILE A 17 7.637 10.432 3.483 1.00 0.00 C ATOM 265 CG1 ILE A 17 9.012 10.739 2.879 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.783 9.573 4.733 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.938 11.484 3.816 1.00 0.00 C ATOM 0 H ILE A 17 5.838 11.330 1.439 1.00 0.00 H new ATOM 0 HA ILE A 17 7.241 8.824 2.105 1.00 0.00 H new ATOM 0 HB ILE A 17 7.168 11.375 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.486 9.803 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.877 11.328 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.423 10.084 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.801 9.405 5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.229 8.615 4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.891 11.665 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.486 12.437 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.105 10.888 4.713 1.00 0.00 H new ATOM 279 N ILE A 18 5.040 8.083 3.030 1.00 0.00 N ATOM 280 CA ILE A 18 3.761 7.640 3.601 1.00 0.00 C ATOM 281 C ILE A 18 3.951 6.611 4.719 1.00 0.00 C ATOM 282 O ILE A 18 4.555 5.560 4.521 1.00 0.00 O ATOM 283 CB ILE A 18 2.830 7.041 2.522 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.543 8.073 1.427 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.528 6.553 3.147 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.655 7.548 0.316 1.00 0.00 C ATOM 0 H ILE A 18 5.594 7.346 2.594 1.00 0.00 H new ATOM 0 HA ILE A 18 3.299 8.533 4.021 1.00 0.00 H new ATOM 0 HB ILE A 18 3.336 6.188 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.070 8.946 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.488 8.408 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.886 6.135 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.746 5.786 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.019 7.389 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.495 8.333 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.135 6.693 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.696 7.240 0.732 1.00 0.00 H new ATOM 298 N GLU A 19 3.415 6.913 5.895 1.00 0.00 N ATOM 299 CA GLU A 19 3.432 5.981 7.014 1.00 0.00 C ATOM 300 C GLU A 19 2.173 5.125 6.988 1.00 0.00 C ATOM 301 O GLU A 19 1.066 5.654 6.858 1.00 0.00 O ATOM 302 CB GLU A 19 3.511 6.714 8.357 1.00 0.00 C ATOM 303 CG GLU A 19 4.749 7.575 8.551 1.00 0.00 C ATOM 304 CD GLU A 19 4.722 8.855 7.739 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.615 9.316 7.381 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.805 9.405 7.460 1.00 0.00 O ATOM 0 H GLU A 19 2.960 7.803 6.099 1.00 0.00 H new ATOM 0 HA GLU A 19 4.318 5.355 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.629 7.345 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.471 5.976 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.847 7.825 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.632 6.997 8.277 1.00 0.00 H new ATOM 313 N ILE A 20 2.327 3.816 7.113 1.00 0.00 N ATOM 314 CA ILE A 20 1.190 2.905 7.074 1.00 0.00 C ATOM 315 C ILE A 20 1.305 1.835 8.156 1.00 0.00 C ATOM 316 O ILE A 20 2.407 1.462 8.558 1.00 0.00 O ATOM 317 CB ILE A 20 1.047 2.205 5.698 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.335 1.462 5.332 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.682 3.210 4.615 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.231 0.654 4.055 1.00 0.00 C ATOM 0 H ILE A 20 3.229 3.358 7.243 1.00 0.00 H new ATOM 0 HA ILE A 20 0.305 3.517 7.250 1.00 0.00 H new ATOM 0 HB ILE A 20 0.240 1.476 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.144 2.185 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.605 0.796 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.587 2.696 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.265 3.687 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.462 3.968 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.181 0.156 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.445 -0.094 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.992 1.317 3.223 1.00 0.00 H new ATOM 332 N GLY A 21 0.165 1.347 8.622 1.00 0.00 N ATOM 333 CA GLY A 21 0.160 0.251 9.571 1.00 0.00 C ATOM 334 C GLY A 21 0.015 -1.083 8.872 1.00 0.00 C ATOM 335 O GLY A 21 -0.547 -2.028 9.421 1.00 0.00 O ATOM 0 H GLY A 21 -0.759 1.691 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.085 0.263 10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.659 0.384 10.278 1.00 0.00 H new ATOM 339 N VAL A 22 0.518 -1.146 7.649 1.00 0.00 N ATOM 340 CA VAL A 22 0.427 -2.346 6.837 1.00 0.00 C ATOM 341 C VAL A 22 1.821 -2.913 6.604 1.00 0.00 C ATOM 342 O VAL A 22 2.695 -2.223 6.085 1.00 0.00 O ATOM 343 CB VAL A 22 -0.246 -2.055 5.476 1.00 0.00 C ATOM 344 CG1 VAL A 22 -0.472 -3.339 4.697 1.00 0.00 C ATOM 345 CG2 VAL A 22 -1.560 -1.310 5.670 1.00 0.00 C ATOM 0 H VAL A 22 0.998 -0.370 7.194 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.186 -3.071 7.372 1.00 0.00 H new ATOM 0 HB VAL A 22 0.426 -1.420 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.947 -3.107 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.485 -3.828 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.117 -4.004 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.015 -1.116 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.236 -1.916 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.370 -0.364 6.177 1.00 0.00 H new ATOM 355 N LYS A 23 2.025 -4.163 6.999 1.00 0.00 N ATOM 356 CA LYS A 23 3.341 -4.786 6.915 1.00 0.00 C ATOM 357 C LYS A 23 3.598 -5.361 5.517 1.00 0.00 C ATOM 358 O LYS A 23 4.733 -5.696 5.170 1.00 0.00 O ATOM 359 CB LYS A 23 3.465 -5.875 7.990 1.00 0.00 C ATOM 360 CG LYS A 23 4.843 -6.516 8.074 1.00 0.00 C ATOM 361 CD LYS A 23 4.976 -7.385 9.312 1.00 0.00 C ATOM 362 CE LYS A 23 6.326 -8.079 9.368 1.00 0.00 C ATOM 363 NZ LYS A 23 6.549 -8.761 10.671 1.00 0.00 N ATOM 0 H LYS A 23 1.296 -4.766 7.381 1.00 0.00 H new ATOM 0 HA LYS A 23 4.099 -4.024 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.218 -5.442 8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.727 -6.652 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.020 -7.119 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.607 -5.739 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.845 -6.771 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.182 -8.132 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.392 -8.809 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.117 -7.347 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.481 -9.222 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.512 -8.062 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.810 -9.477 10.819 1.00 0.00 H new ATOM 377 N GLU A 24 2.541 -5.474 4.719 1.00 0.00 N ATOM 378 CA GLU A 24 2.658 -5.978 3.352 1.00 0.00 C ATOM 379 C GLU A 24 1.737 -5.195 2.419 1.00 0.00 C ATOM 380 O GLU A 24 0.515 -5.326 2.486 1.00 0.00 O ATOM 381 CB GLU A 24 2.317 -7.471 3.296 1.00 0.00 C ATOM 382 CG GLU A 24 3.258 -8.345 4.111 1.00 0.00 C ATOM 383 CD GLU A 24 2.935 -9.819 4.003 1.00 0.00 C ATOM 384 OE1 GLU A 24 3.382 -10.459 3.026 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.240 -10.349 4.894 1.00 0.00 O ATOM 0 H GLU A 24 1.591 -5.223 4.995 1.00 0.00 H new ATOM 0 HA GLU A 24 3.689 -5.845 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.298 -7.616 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.338 -7.801 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.282 -8.177 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.211 -8.044 5.157 1.00 0.00 H new ATOM 392 N PHE A 25 2.325 -4.381 1.553 1.00 0.00 N ATOM 393 CA PHE A 25 1.548 -3.532 0.655 1.00 0.00 C ATOM 394 C PHE A 25 2.112 -3.592 -0.767 1.00 0.00 C ATOM 395 O PHE A 25 3.278 -3.943 -0.966 1.00 0.00 O ATOM 396 CB PHE A 25 1.549 -2.088 1.175 1.00 0.00 C ATOM 397 CG PHE A 25 0.682 -1.146 0.383 1.00 0.00 C ATOM 398 CD1 PHE A 25 -0.695 -1.305 0.357 1.00 0.00 C ATOM 399 CD2 PHE A 25 1.244 -0.102 -0.335 1.00 0.00 C ATOM 400 CE1 PHE A 25 -1.492 -0.442 -0.372 1.00 0.00 C ATOM 401 CE2 PHE A 25 0.453 0.762 -1.065 1.00 0.00 C ATOM 402 CZ PHE A 25 -0.919 0.593 -1.082 1.00 0.00 C ATOM 0 H PHE A 25 3.336 -4.289 1.452 1.00 0.00 H new ATOM 0 HA PHE A 25 0.521 -3.897 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.214 -2.087 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.572 -1.713 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.150 -2.112 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.315 0.037 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.563 -0.578 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.905 1.569 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.541 1.269 -1.650 1.00 0.00 H new ATOM 412 N MET A 26 1.281 -3.257 -1.750 1.00 0.00 N ATOM 413 CA MET A 26 1.701 -3.263 -3.146 1.00 0.00 C ATOM 414 C MET A 26 1.096 -2.059 -3.868 1.00 0.00 C ATOM 415 O MET A 26 0.079 -1.516 -3.437 1.00 0.00 O ATOM 416 CB MET A 26 1.273 -4.572 -3.828 1.00 0.00 C ATOM 417 CG MET A 26 2.299 -5.133 -4.808 1.00 0.00 C ATOM 418 SD MET A 26 2.542 -4.098 -6.266 1.00 0.00 S ATOM 419 CE MET A 26 3.844 -4.995 -7.098 1.00 0.00 C ATOM 0 H MET A 26 0.311 -2.978 -1.604 1.00 0.00 H new ATOM 0 HA MET A 26 2.788 -3.195 -3.193 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.074 -5.320 -3.060 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.336 -4.402 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.253 -5.253 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.981 -6.126 -5.126 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.460 -4.298 -7.667 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.462 -5.507 -6.360 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.406 -5.728 -7.775 1.00 0.00 H new ATOM 429 N CYS A 27 1.732 -1.647 -4.954 1.00 0.00 N ATOM 430 CA CYS A 27 1.307 -0.474 -5.706 1.00 0.00 C ATOM 431 C CYS A 27 0.032 -0.733 -6.501 1.00 0.00 C ATOM 432 O CYS A 27 -0.027 -1.644 -7.331 1.00 0.00 O ATOM 433 CB CYS A 27 2.415 -0.034 -6.660 1.00 0.00 C ATOM 434 SG CYS A 27 3.924 0.541 -5.851 1.00 0.00 S ATOM 0 H CYS A 27 2.554 -2.113 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 27 1.099 0.315 -4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.665 -0.869 -7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.033 0.765 -7.295 1.00 0.00 H new ATOM 0 HG CYS A 27 4.763 0.966 -6.749 1.00 0.00 H new ATOM 439 N VAL A 28 -0.976 0.089 -6.251 1.00 0.00 N ATOM 440 CA VAL A 28 -2.232 0.013 -6.978 1.00 0.00 C ATOM 441 C VAL A 28 -2.229 1.017 -8.128 1.00 0.00 C ATOM 442 O VAL A 28 -1.687 2.116 -7.996 1.00 0.00 O ATOM 443 CB VAL A 28 -3.432 0.291 -6.047 1.00 0.00 C ATOM 444 CG1 VAL A 28 -4.747 0.097 -6.786 1.00 0.00 C ATOM 445 CG2 VAL A 28 -3.370 -0.600 -4.814 1.00 0.00 C ATOM 0 H VAL A 28 -0.946 0.823 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.333 -0.997 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.378 1.330 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.578 0.298 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.793 0.783 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.814 -0.929 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.224 -0.390 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.395 -1.646 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.447 -0.403 -4.269 1.00 0.00 H new ATOM 581 N HIS A 38 6.254 -1.771 -11.047 1.00 0.00 N ATOM 582 CA HIS A 38 6.286 -1.527 -9.614 1.00 0.00 C ATOM 583 C HIS A 38 6.864 -2.726 -8.885 1.00 0.00 C ATOM 584 O HIS A 38 7.272 -3.705 -9.510 1.00 0.00 O ATOM 585 CB HIS A 38 4.894 -1.200 -9.061 1.00 0.00 C ATOM 586 CG HIS A 38 4.420 0.177 -9.405 1.00 0.00 C ATOM 587 ND1 HIS A 38 4.810 1.319 -8.707 1.00 0.00 N ATOM 588 CD2 HIS A 38 3.595 0.600 -10.394 1.00 0.00 C ATOM 589 CE1 HIS A 38 4.230 2.374 -9.282 1.00 0.00 C ATOM 590 NE2 HIS A 38 3.499 1.963 -10.292 1.00 0.00 N ATOM 0 HA HIS A 38 6.925 -0.660 -9.446 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.179 -1.928 -9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.908 -1.310 -7.977 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.104 -0.023 -11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.344 3.401 -8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.947 2.564 -10.904 1.00 0.00 H new ATOM 598 N ILE A 39 6.867 -2.650 -7.565 1.00 0.00 N ATOM 599 CA ILE A 39 7.497 -3.657 -6.734 1.00 0.00 C ATOM 600 C ILE A 39 6.652 -3.877 -5.479 1.00 0.00 C ATOM 601 O ILE A 39 5.796 -3.049 -5.160 1.00 0.00 O ATOM 602 CB ILE A 39 8.926 -3.209 -6.342 1.00 0.00 C ATOM 603 CG1 ILE A 39 9.714 -4.363 -5.720 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.865 -2.025 -5.385 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.969 -5.506 -6.679 1.00 0.00 C ATOM 0 H ILE A 39 6.433 -1.889 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 39 7.568 -4.591 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 39 9.446 -2.899 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.669 -3.985 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.169 -4.740 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.877 -1.721 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.351 -1.193 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.323 -2.313 -4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.532 -6.289 -6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.018 -5.910 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.541 -5.144 -7.533 1.00 0.00 H new ATOM 617 N PHE A 40 6.868 -4.988 -4.791 1.00 0.00 N ATOM 618 CA PHE A 40 6.141 -5.274 -3.563 1.00 0.00 C ATOM 619 C PHE A 40 6.924 -4.750 -2.365 1.00 0.00 C ATOM 620 O PHE A 40 8.154 -4.815 -2.340 1.00 0.00 O ATOM 621 CB PHE A 40 5.878 -6.782 -3.420 1.00 0.00 C ATOM 622 CG PHE A 40 7.118 -7.625 -3.294 1.00 0.00 C ATOM 623 CD1 PHE A 40 7.829 -8.007 -4.420 1.00 0.00 C ATOM 624 CD2 PHE A 40 7.565 -8.046 -2.050 1.00 0.00 C ATOM 625 CE1 PHE A 40 8.967 -8.786 -4.309 1.00 0.00 C ATOM 626 CE2 PHE A 40 8.699 -8.826 -1.932 1.00 0.00 C ATOM 627 CZ PHE A 40 9.400 -9.198 -3.064 1.00 0.00 C ATOM 0 H PHE A 40 7.540 -5.706 -5.062 1.00 0.00 H new ATOM 0 HA PHE A 40 5.176 -4.769 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.252 -6.947 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.310 -7.122 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.491 -7.693 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.020 -7.760 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.516 -9.071 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.037 -9.145 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.285 -9.810 -2.975 1.00 0.00 H new ATOM 637 N ILE A 41 6.217 -4.214 -1.383 1.00 0.00 N ATOM 638 CA ILE A 41 6.863 -3.665 -0.202 1.00 0.00 C ATOM 639 C ILE A 41 6.546 -4.520 1.019 1.00 0.00 C ATOM 640 O ILE A 41 5.377 -4.747 1.343 1.00 0.00 O ATOM 641 CB ILE A 41 6.436 -2.199 0.064 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.832 -1.279 -1.101 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.052 -1.688 1.360 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.876 -1.307 -2.278 1.00 0.00 C ATOM 0 H ILE A 41 5.199 -4.147 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 41 7.937 -3.673 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 41 5.350 -2.186 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.903 -0.256 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.825 -1.562 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.741 -0.657 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.718 -2.309 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.139 -1.731 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.233 -0.629 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.822 -2.319 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.885 -0.993 -1.950 1.00 0.00 H new ATOM 656 N ASP A 42 7.591 -5.009 1.673 1.00 0.00 N ATOM 657 CA ASP A 42 7.434 -5.812 2.877 1.00 0.00 C ATOM 658 C ASP A 42 8.167 -5.154 4.038 1.00 0.00 C ATOM 659 O ASP A 42 9.250 -4.588 3.860 1.00 0.00 O ATOM 660 CB ASP A 42 7.970 -7.235 2.665 1.00 0.00 C ATOM 661 CG ASP A 42 9.484 -7.321 2.781 1.00 0.00 C ATOM 662 OD1 ASP A 42 10.186 -6.951 1.817 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.980 -7.764 3.843 1.00 0.00 O ATOM 0 H ASP A 42 8.559 -4.863 1.388 1.00 0.00 H new ATOM 0 HA ASP A 42 6.370 -5.877 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.516 -7.902 3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.665 -7.590 1.680 1.00 0.00 H new ATOM 668 N MET A 43 7.573 -5.222 5.218 1.00 0.00 N ATOM 669 CA MET A 43 8.168 -4.632 6.407 1.00 0.00 C ATOM 670 C MET A 43 8.701 -5.710 7.342 1.00 0.00 C ATOM 671 O MET A 43 8.666 -5.555 8.564 1.00 0.00 O ATOM 672 CB MET A 43 7.149 -3.760 7.147 1.00 0.00 C ATOM 673 CG MET A 43 6.813 -2.459 6.435 1.00 0.00 C ATOM 674 SD MET A 43 5.860 -2.697 4.923 1.00 0.00 S ATOM 675 CE MET A 43 5.472 -1.000 4.521 1.00 0.00 C ATOM 0 H MET A 43 6.677 -5.681 5.379 1.00 0.00 H new ATOM 0 HA MET A 43 9.001 -4.007 6.086 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.232 -4.332 7.288 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.537 -3.529 8.139 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.251 -1.817 7.113 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.738 -1.936 6.194 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.089 -0.946 3.502 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.718 -0.626 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.373 -0.392 4.602 1.00 0.00 H new ATOM 685 N GLY A 44 9.197 -6.800 6.763 1.00 0.00 N ATOM 686 CA GLY A 44 9.751 -7.874 7.564 1.00 0.00 C ATOM 687 C GLY A 44 11.019 -7.455 8.280 1.00 0.00 C ATOM 688 O GLY A 44 10.985 -7.060 9.444 1.00 0.00 O ATOM 0 H GLY A 44 9.225 -6.957 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.012 -8.198 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.963 -8.731 6.924 1.00 0.00 H new ATOM 692 N SER A 45 12.140 -7.529 7.580 1.00 0.00 N ATOM 693 CA SER A 45 13.414 -7.116 8.144 1.00 0.00 C ATOM 694 C SER A 45 13.612 -5.611 7.990 1.00 0.00 C ATOM 695 O SER A 45 14.474 -5.015 8.642 1.00 0.00 O ATOM 696 CB SER A 45 14.553 -7.871 7.461 1.00 0.00 C ATOM 697 OG SER A 45 14.357 -9.271 7.568 1.00 0.00 O ATOM 0 H SER A 45 12.193 -7.871 6.621 1.00 0.00 H new ATOM 0 HA SER A 45 13.416 -7.352 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.608 -7.585 6.411 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.504 -7.595 7.917 1.00 0.00 H new ATOM 0 HG SER A 45 15.094 -9.739 7.124 1.00 0.00 H new ATOM 703 N THR A 46 12.804 -5.005 7.130 1.00 0.00 N ATOM 704 CA THR A 46 12.901 -3.583 6.858 1.00 0.00 C ATOM 705 C THR A 46 11.682 -2.854 7.408 1.00 0.00 C ATOM 706 O THR A 46 10.567 -3.063 6.945 1.00 0.00 O ATOM 707 CB THR A 46 13.011 -3.325 5.347 1.00 0.00 C ATOM 708 OG1 THR A 46 13.672 -4.430 4.713 1.00 0.00 O ATOM 709 CG2 THR A 46 13.789 -2.049 5.076 1.00 0.00 C ATOM 0 H THR A 46 12.070 -5.483 6.607 1.00 0.00 H new ATOM 0 HA THR A 46 13.799 -3.207 7.348 1.00 0.00 H new ATOM 0 HB THR A 46 12.005 -3.216 4.942 1.00 0.00 H new ATOM 0 HG1 THR A 46 14.234 -4.099 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.855 -1.885 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.278 -1.206 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.793 -2.139 5.492 1.00 0.00 H new ATOM 717 N ASP A 47 11.897 -2.002 8.397 1.00 0.00 N ATOM 718 CA ASP A 47 10.798 -1.309 9.060 1.00 0.00 C ATOM 719 C ASP A 47 10.238 -0.196 8.179 1.00 0.00 C ATOM 720 O ASP A 47 9.071 0.181 8.305 1.00 0.00 O ATOM 721 CB ASP A 47 11.249 -0.742 10.408 1.00 0.00 C ATOM 722 CG ASP A 47 11.701 -1.822 11.371 1.00 0.00 C ATOM 723 OD1 ASP A 47 10.842 -2.420 12.051 1.00 0.00 O ATOM 724 OD2 ASP A 47 12.925 -2.083 11.447 1.00 0.00 O ATOM 0 H ASP A 47 12.822 -1.772 8.760 1.00 0.00 H new ATOM 0 HA ASP A 47 10.005 -2.036 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.066 -0.038 10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.428 -0.181 10.855 1.00 0.00 H new ATOM 729 N GLU A 48 11.072 0.334 7.293 1.00 0.00 N ATOM 730 CA GLU A 48 10.628 1.354 6.356 1.00 0.00 C ATOM 731 C GLU A 48 11.261 1.156 4.979 1.00 0.00 C ATOM 732 O GLU A 48 12.483 1.042 4.847 1.00 0.00 O ATOM 733 CB GLU A 48 10.932 2.757 6.893 1.00 0.00 C ATOM 734 CG GLU A 48 12.387 2.980 7.274 1.00 0.00 C ATOM 735 CD GLU A 48 12.693 4.437 7.558 1.00 0.00 C ATOM 736 OE1 GLU A 48 12.248 4.954 8.601 1.00 0.00 O ATOM 737 OE2 GLU A 48 13.386 5.076 6.737 1.00 0.00 O ATOM 0 H GLU A 48 12.055 0.075 7.205 1.00 0.00 H new ATOM 0 HA GLU A 48 9.548 1.255 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.650 3.491 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.307 2.942 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.625 2.383 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.029 2.627 6.467 1.00 0.00 H new ATOM 744 N LYS A 49 10.417 1.112 3.957 1.00 0.00 N ATOM 745 CA LYS A 49 10.867 0.938 2.576 1.00 0.00 C ATOM 746 C LYS A 49 10.228 1.974 1.663 1.00 0.00 C ATOM 747 O LYS A 49 9.022 2.174 1.699 1.00 0.00 O ATOM 748 CB LYS A 49 10.516 -0.458 2.048 1.00 0.00 C ATOM 749 CG LYS A 49 11.506 -1.545 2.427 1.00 0.00 C ATOM 750 CD LYS A 49 11.186 -2.854 1.717 1.00 0.00 C ATOM 751 CE LYS A 49 12.291 -3.879 1.920 1.00 0.00 C ATOM 752 NZ LYS A 49 12.016 -5.162 1.216 1.00 0.00 N ATOM 0 H LYS A 49 9.405 1.195 4.057 1.00 0.00 H new ATOM 0 HA LYS A 49 11.950 1.063 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.531 -0.736 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.444 -0.413 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.516 -1.226 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.485 -1.699 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.244 -3.253 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.051 -2.668 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.234 -3.467 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.412 -4.072 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.902 -5.696 1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.338 -5.724 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.615 -4.964 0.277 1.00 0.00 H new ATOM 766 N ILE A 50 11.038 2.629 0.848 1.00 0.00 N ATOM 767 CA ILE A 50 10.522 3.537 -0.169 1.00 0.00 C ATOM 768 C ILE A 50 10.255 2.741 -1.448 1.00 0.00 C ATOM 769 O ILE A 50 10.799 1.649 -1.613 1.00 0.00 O ATOM 770 CB ILE A 50 11.525 4.688 -0.449 1.00 0.00 C ATOM 771 CG1 ILE A 50 10.863 5.804 -1.264 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.756 4.163 -1.176 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.760 7.000 -1.498 1.00 0.00 C ATOM 0 H ILE A 50 12.055 2.551 0.869 1.00 0.00 H new ATOM 0 HA ILE A 50 9.596 3.987 0.188 1.00 0.00 H new ATOM 0 HB ILE A 50 11.837 5.102 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.550 5.402 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.961 6.133 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.447 4.985 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.248 3.409 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.456 3.718 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.224 7.748 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.053 7.428 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.651 6.686 -2.042 1.00 0.00 H new ATOM 785 N CYS A 51 9.422 3.247 -2.350 1.00 0.00 N ATOM 786 CA CYS A 51 9.172 2.505 -3.586 1.00 0.00 C ATOM 787 C CYS A 51 10.021 3.072 -4.716 1.00 0.00 C ATOM 788 O CYS A 51 9.830 4.215 -5.125 1.00 0.00 O ATOM 789 CB CYS A 51 7.682 2.517 -3.964 1.00 0.00 C ATOM 790 SG CYS A 51 7.282 1.673 -5.532 1.00 0.00 S ATOM 0 H CYS A 51 8.924 4.133 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 51 9.454 1.466 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.114 2.048 -3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.347 3.552 -4.029 1.00 0.00 H new ATOM 0 HG CYS A 51 6.607 2.478 -6.298 1.00 0.00 H new ATOM 795 N PRO A 52 10.978 2.273 -5.232 1.00 0.00 N ATOM 796 CA PRO A 52 11.854 2.682 -6.338 1.00 0.00 C ATOM 797 C PRO A 52 11.058 3.240 -7.511 1.00 0.00 C ATOM 798 O PRO A 52 11.495 4.165 -8.191 1.00 0.00 O ATOM 799 CB PRO A 52 12.578 1.388 -6.741 1.00 0.00 C ATOM 800 CG PRO A 52 11.887 0.286 -6.002 1.00 0.00 C ATOM 801 CD PRO A 52 11.295 0.913 -4.775 1.00 0.00 C ATOM 0 HA PRO A 52 12.538 3.478 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.525 1.230 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.635 1.433 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.112 -0.170 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.589 -0.504 -5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.406 0.381 -4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.999 0.919 -3.943 1.00 0.00 H new ATOM 809 N TYR A 53 9.882 2.669 -7.727 1.00 0.00 N ATOM 810 CA TYR A 53 8.947 3.185 -8.713 1.00 0.00 C ATOM 811 C TYR A 53 7.709 3.727 -8.007 1.00 0.00 C ATOM 812 O TYR A 53 6.730 2.983 -7.816 1.00 0.00 O ATOM 813 CB TYR A 53 8.541 2.092 -9.709 1.00 0.00 C ATOM 814 CG TYR A 53 9.683 1.555 -10.546 1.00 0.00 C ATOM 815 CD1 TYR A 53 10.461 0.492 -10.100 1.00 0.00 C ATOM 816 CD2 TYR A 53 9.973 2.107 -11.790 1.00 0.00 C ATOM 817 CE1 TYR A 53 11.499 -0.003 -10.869 1.00 0.00 C ATOM 818 CE2 TYR A 53 11.004 1.613 -12.564 1.00 0.00 C ATOM 819 CZ TYR A 53 11.765 0.561 -12.100 1.00 0.00 C ATOM 820 OH TYR A 53 12.793 0.065 -12.875 1.00 0.00 O ATOM 0 H TYR A 53 9.552 1.843 -7.228 1.00 0.00 H new ATOM 0 HA TYR A 53 9.435 3.987 -9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.089 1.266 -9.160 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.774 2.490 -10.374 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.252 0.046 -9.139 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.383 2.934 -12.156 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.098 -0.826 -10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.214 2.049 -13.530 1.00 0.00 H new ATOM 0 HH TYR A 53 12.846 0.573 -13.712 1.00 0.00 H new ATOM 830 N CYS A 54 7.794 4.993 -7.566 1.00 0.00 N ATOM 831 CA CYS A 54 6.712 5.704 -6.852 1.00 0.00 C ATOM 832 C CYS A 54 7.267 6.804 -5.970 1.00 0.00 C ATOM 833 O CYS A 54 6.672 7.875 -5.873 1.00 0.00 O ATOM 834 CB CYS A 54 5.900 4.797 -5.915 1.00 0.00 C ATOM 835 SG CYS A 54 4.466 3.988 -6.661 1.00 0.00 S ATOM 0 H CYS A 54 8.629 5.564 -7.696 1.00 0.00 H new ATOM 0 HA CYS A 54 6.074 6.091 -7.646 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.563 4.028 -5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.559 5.392 -5.068 1.00 0.00 H new ATOM 0 HG CYS A 54 4.390 2.761 -6.237 1.00 0.00 H new ATOM 840 N SER A 55 8.417 6.521 -5.353 1.00 0.00 N ATOM 841 CA SER A 55 8.807 7.147 -4.097 1.00 0.00 C ATOM 842 C SER A 55 7.938 6.506 -3.017 1.00 0.00 C ATOM 843 O SER A 55 7.610 5.329 -3.137 1.00 0.00 O ATOM 844 CB SER A 55 8.648 8.677 -4.126 1.00 0.00 C ATOM 845 OG SER A 55 9.373 9.245 -5.206 1.00 0.00 O ATOM 0 H SER A 55 9.099 5.853 -5.712 1.00 0.00 H new ATOM 0 HA SER A 55 9.867 6.984 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.593 8.935 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.000 9.100 -3.185 1.00 0.00 H new ATOM 0 HG SER A 55 9.255 10.218 -5.204 1.00 0.00 H new ATOM 851 N THR A 56 7.609 7.231 -1.961 1.00 0.00 N ATOM 852 CA THR A 56 6.659 6.773 -0.976 1.00 0.00 C ATOM 853 C THR A 56 7.376 5.903 0.025 1.00 0.00 C ATOM 854 O THR A 56 7.390 4.680 -0.078 1.00 0.00 O ATOM 855 CB THR A 56 5.457 6.025 -1.593 1.00 0.00 C ATOM 856 OG1 THR A 56 4.858 6.823 -2.624 1.00 0.00 O ATOM 857 CG2 THR A 56 4.416 5.706 -0.534 1.00 0.00 C ATOM 0 H THR A 56 7.997 8.154 -1.767 1.00 0.00 H new ATOM 0 HA THR A 56 6.240 7.650 -0.483 1.00 0.00 H new ATOM 0 HB THR A 56 5.822 5.090 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.037 7.771 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.579 5.179 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.862 5.077 0.237 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.059 6.632 -0.084 1.00 0.00 H new ATOM 865 N LEU A 57 8.049 6.564 0.943 1.00 0.00 N ATOM 866 CA LEU A 57 8.732 5.881 2.012 1.00 0.00 C ATOM 867 C LEU A 57 7.685 5.316 2.957 1.00 0.00 C ATOM 868 O LEU A 57 7.094 6.053 3.745 1.00 0.00 O ATOM 869 CB LEU A 57 9.668 6.856 2.737 1.00 0.00 C ATOM 870 CG LEU A 57 10.887 6.237 3.427 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.798 7.329 3.956 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.468 5.315 4.560 1.00 0.00 C ATOM 0 H LEU A 57 8.136 7.580 0.967 1.00 0.00 H new ATOM 0 HA LEU A 57 9.342 5.066 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.020 7.593 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.088 7.395 3.486 1.00 0.00 H new ATOM 0 HG LEU A 57 11.427 5.644 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.661 6.878 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.135 7.954 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.253 7.941 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.355 4.891 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.901 5.881 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.847 4.511 4.164 1.00 0.00 H new ATOM 884 N TYR A 58 7.415 4.026 2.811 1.00 0.00 N ATOM 885 CA TYR A 58 6.435 3.340 3.635 1.00 0.00 C ATOM 886 C TYR A 58 7.016 3.063 5.013 1.00 0.00 C ATOM 887 O TYR A 58 7.846 2.167 5.179 1.00 0.00 O ATOM 888 CB TYR A 58 6.012 2.014 2.994 1.00 0.00 C ATOM 889 CG TYR A 58 5.409 2.133 1.609 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.060 2.408 1.435 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.191 1.952 0.474 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.508 2.502 0.171 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.647 2.044 -0.791 1.00 0.00 C ATOM 894 CZ TYR A 58 4.306 2.319 -0.939 1.00 0.00 C ATOM 895 OH TYR A 58 3.759 2.415 -2.201 1.00 0.00 O ATOM 0 H TYR A 58 7.869 3.429 2.120 1.00 0.00 H new ATOM 0 HA TYR A 58 5.560 3.984 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.883 1.361 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.289 1.527 3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.431 2.551 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.243 1.735 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.456 2.718 0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.270 1.901 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 58 4.456 2.261 -2.872 1.00 0.00 H new ATOM 905 N ARG A 59 6.602 3.848 5.986 1.00 0.00 N ATOM 906 CA ARG A 59 7.050 3.656 7.354 1.00 0.00 C ATOM 907 C ARG A 59 6.062 2.789 8.117 1.00 0.00 C ATOM 908 O ARG A 59 4.891 3.146 8.247 1.00 0.00 O ATOM 909 CB ARG A 59 7.196 4.996 8.068 1.00 0.00 C ATOM 910 CG ARG A 59 8.350 5.852 7.582 1.00 0.00 C ATOM 911 CD ARG A 59 8.329 7.207 8.265 1.00 0.00 C ATOM 912 NE ARG A 59 9.537 7.982 8.012 1.00 0.00 N ATOM 913 CZ ARG A 59 9.560 9.308 7.915 1.00 0.00 C ATOM 914 NH1 ARG A 59 8.427 10.004 7.935 1.00 0.00 N ATOM 915 NH2 ARG A 59 10.717 9.932 7.770 1.00 0.00 N ATOM 0 H ARG A 59 5.955 4.626 5.857 1.00 0.00 H new ATOM 0 HA ARG A 59 8.021 3.161 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.270 5.558 7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.323 4.812 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.295 5.349 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.285 5.981 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.462 7.770 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.211 7.066 9.339 1.00 0.00 H new ATOM 0 HE ARG A 59 10.417 7.478 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.533 9.521 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.452 11.021 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.584 9.396 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.742 10.949 7.695 1.00 0.00 H new ATOM 929 N TYR A 60 6.528 1.651 8.603 1.00 0.00 N ATOM 930 CA TYR A 60 5.711 0.798 9.448 1.00 0.00 C ATOM 931 C TYR A 60 6.196 0.881 10.886 1.00 0.00 C ATOM 932 O TYR A 60 7.234 0.321 11.242 1.00 0.00 O ATOM 933 CB TYR A 60 5.736 -0.653 8.953 1.00 0.00 C ATOM 934 CG TYR A 60 4.960 -1.615 9.828 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.571 -1.630 9.822 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.622 -2.506 10.663 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.865 -2.507 10.625 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.923 -3.385 11.468 1.00 0.00 C ATOM 939 CZ TYR A 60 3.545 -3.381 11.445 1.00 0.00 C ATOM 940 OH TYR A 60 2.846 -4.256 12.247 1.00 0.00 O ATOM 0 H TYR A 60 7.468 1.297 8.427 1.00 0.00 H new ATOM 0 HA TYR A 60 4.680 1.148 9.400 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.330 -0.688 7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.772 -0.988 8.892 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.034 -0.947 9.181 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.702 -2.512 10.683 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.785 -2.507 10.609 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.453 -4.071 12.112 1.00 0.00 H new ATOM 0 HH TYR A 60 3.476 -4.803 12.761 1.00 0.00 H new ATOM 950 N ASP A 61 5.457 1.607 11.701 1.00 0.00 N ATOM 951 CA ASP A 61 5.797 1.764 13.103 1.00 0.00 C ATOM 952 C ASP A 61 4.799 0.989 13.949 1.00 0.00 C ATOM 953 O ASP A 61 3.612 0.962 13.628 1.00 0.00 O ATOM 954 CB ASP A 61 5.790 3.249 13.489 1.00 0.00 C ATOM 955 CG ASP A 61 6.282 3.489 14.904 1.00 0.00 C ATOM 956 OD1 ASP A 61 5.456 3.472 15.841 1.00 0.00 O ATOM 957 OD2 ASP A 61 7.498 3.696 15.088 1.00 0.00 O ATOM 0 H ASP A 61 4.612 2.101 11.415 1.00 0.00 H new ATOM 0 HA ASP A 61 6.799 1.372 13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.417 3.804 12.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.778 3.641 13.389 1.00 0.00 H new ATOM 962 N PRO A 62 5.260 0.329 15.023 1.00 0.00 N ATOM 963 CA PRO A 62 4.394 -0.470 15.902 1.00 0.00 C ATOM 964 C PRO A 62 3.269 0.336 16.559 1.00 0.00 C ATOM 965 O PRO A 62 2.380 -0.237 17.188 1.00 0.00 O ATOM 966 CB PRO A 62 5.352 -1.010 16.970 1.00 0.00 C ATOM 967 CG PRO A 62 6.562 -0.143 16.888 1.00 0.00 C ATOM 968 CD PRO A 62 6.668 0.280 15.455 1.00 0.00 C ATOM 0 HA PRO A 62 3.877 -1.243 15.333 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.902 -0.964 17.962 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.603 -2.054 16.782 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.468 0.722 17.545 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.453 -0.686 17.202 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.156 1.250 15.355 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.247 -0.431 14.865 1.00 0.00 H new ATOM 976 N SER A 63 3.309 1.659 16.431 1.00 0.00 N ATOM 977 CA SER A 63 2.235 2.501 16.945 1.00 0.00 C ATOM 978 C SER A 63 1.108 2.606 15.915 1.00 0.00 C ATOM 979 O SER A 63 -0.008 3.020 16.233 1.00 0.00 O ATOM 980 CB SER A 63 2.769 3.892 17.287 1.00 0.00 C ATOM 981 OG SER A 63 3.954 3.800 18.062 1.00 0.00 O ATOM 0 H SER A 63 4.068 2.168 15.979 1.00 0.00 H new ATOM 0 HA SER A 63 1.839 2.047 17.853 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.971 4.445 16.369 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.012 4.452 17.836 1.00 0.00 H new ATOM 0 HG SER A 63 4.723 3.666 17.469 1.00 0.00 H new ATOM 987 N LEU A 64 1.412 2.225 14.681 1.00 0.00 N ATOM 988 CA LEU A 64 0.431 2.223 13.607 1.00 0.00 C ATOM 989 C LEU A 64 -0.251 0.865 13.535 1.00 0.00 C ATOM 990 O LEU A 64 0.344 -0.157 13.873 1.00 0.00 O ATOM 991 CB LEU A 64 1.097 2.540 12.261 1.00 0.00 C ATOM 992 CG LEU A 64 1.590 3.981 12.087 1.00 0.00 C ATOM 993 CD1 LEU A 64 2.556 4.073 10.917 1.00 0.00 C ATOM 994 CD2 LEU A 64 0.415 4.926 11.863 1.00 0.00 C ATOM 0 H LEU A 64 2.340 1.911 14.399 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.311 2.993 13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.944 1.867 12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.387 2.320 11.464 1.00 0.00 H new ATOM 0 HG LEU A 64 2.109 4.276 12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.897 5.102 10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.413 3.425 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.052 3.758 10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.785 5.944 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.126 4.627 10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.255 4.883 12.722 1.00 0.00 H new ATOM 1006 N SER A 65 -1.499 0.867 13.107 1.00 0.00 N ATOM 1007 CA SER A 65 -2.259 -0.360 12.947 1.00 0.00 C ATOM 1008 C SER A 65 -2.845 -0.390 11.543 1.00 0.00 C ATOM 1009 O SER A 65 -2.727 0.589 10.813 1.00 0.00 O ATOM 1010 CB SER A 65 -3.368 -0.430 14.008 1.00 0.00 C ATOM 1011 OG SER A 65 -4.106 -1.640 13.920 1.00 0.00 O ATOM 0 H SER A 65 -2.013 1.713 12.861 1.00 0.00 H new ATOM 0 HA SER A 65 -1.611 -1.226 13.082 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.927 -0.345 15.001 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.043 0.417 13.885 1.00 0.00 H new ATOM 0 HG SER A 65 -4.801 -1.650 14.611 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.485 -1.490 11.171 1.00 0.00 N ATOM 1018 CA TYR A 66 -4.080 -1.614 9.841 1.00 0.00 C ATOM 1019 C TYR A 66 -5.264 -0.666 9.681 1.00 0.00 C ATOM 1020 O TYR A 66 -5.755 -0.446 8.575 1.00 0.00 O ATOM 1021 CB TYR A 66 -4.515 -3.056 9.571 1.00 0.00 C ATOM 1022 CG TYR A 66 -3.360 -3.993 9.295 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -2.880 -4.165 8.002 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -2.745 -4.697 10.322 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -1.820 -5.011 7.741 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -1.683 -5.547 10.066 1.00 0.00 C ATOM 1027 CZ TYR A 66 -1.225 -5.698 8.775 1.00 0.00 C ATOM 1028 OH TYR A 66 -0.167 -6.541 8.514 1.00 0.00 O ATOM 0 H TYR A 66 -3.607 -2.309 11.767 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.319 -1.339 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.075 -3.425 10.430 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.194 -3.069 8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.344 -3.628 7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.100 -4.580 11.335 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.460 -5.133 6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.215 -6.089 10.874 1.00 0.00 H new ATOM 0 HH TYR A 66 0.140 -6.949 9.350 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.714 -0.108 10.795 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.807 0.855 10.790 1.00 0.00 C ATOM 1040 C ASN A 67 -6.255 2.285 10.801 1.00 0.00 C ATOM 1041 O ASN A 67 -7.003 3.259 10.729 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.701 0.624 12.013 1.00 0.00 C ATOM 1043 CG ASN A 67 -8.977 1.446 11.987 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -9.536 1.721 10.926 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -9.441 1.840 13.159 1.00 0.00 N ATOM 0 H ASN A 67 -5.336 -0.307 11.721 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.398 0.719 9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.959 -0.433 12.071 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.140 0.865 12.916 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.295 2.395 13.209 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.945 1.589 14.014 1.00 0.00 H new ATOM 1052 N GLN A 68 -4.936 2.406 10.874 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.292 3.711 10.951 1.00 0.00 C ATOM 1054 C GLN A 68 -3.210 3.836 9.890 1.00 0.00 C ATOM 1055 O GLN A 68 -2.736 2.834 9.351 1.00 0.00 O ATOM 1056 CB GLN A 68 -3.692 3.935 12.340 1.00 0.00 C ATOM 1057 CG GLN A 68 -4.728 3.969 13.449 1.00 0.00 C ATOM 1058 CD GLN A 68 -4.116 4.236 14.808 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -3.745 3.309 15.526 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -4.015 5.505 15.175 1.00 0.00 N ATOM 0 H GLN A 68 -4.291 1.616 10.882 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.049 4.474 10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.974 3.142 12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.139 4.874 12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.466 4.741 13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.259 3.018 13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.335 6.244 14.549 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.617 5.743 16.084 1.00 0.00 H new ATOM 1069 N THR A 69 -2.822 5.062 9.580 1.00 0.00 N ATOM 1070 CA THR A 69 -1.831 5.294 8.546 1.00 0.00 C ATOM 1071 C THR A 69 -1.383 6.766 8.535 1.00 0.00 C ATOM 1072 O THR A 69 -1.068 7.335 9.583 1.00 0.00 O ATOM 1073 CB THR A 69 -2.393 4.841 7.161 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.455 5.091 6.102 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.725 5.521 6.851 1.00 0.00 C ATOM 0 H THR A 69 -3.177 5.907 10.028 1.00 0.00 H new ATOM 0 HA THR A 69 -0.945 4.697 8.760 1.00 0.00 H new ATOM 0 HB THR A 69 -2.559 3.766 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.564 5.239 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.088 5.184 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.453 5.263 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.586 6.602 6.831 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.374 7.369 7.359 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.871 8.717 7.153 1.00 0.00 C ATOM 1085 C ASN A 70 -2.055 9.686 7.086 1.00 0.00 C ATOM 1086 O ASN A 70 -3.168 9.256 6.782 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.047 8.704 5.852 1.00 0.00 C ATOM 1088 CG ASN A 70 0.436 10.069 5.382 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -0.263 10.770 4.652 1.00 0.00 O ATOM 1090 ND2 ASN A 70 1.646 10.449 5.775 1.00 0.00 N ATOM 0 H ASN A 70 -1.721 6.929 6.507 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.231 9.049 7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.819 8.058 5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.651 8.257 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.022 11.347 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.199 9.843 6.381 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.840 10.976 7.451 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.866 12.027 7.458 1.00 0.00 C ATOM 1099 C PRO A 71 -3.993 11.818 6.444 1.00 0.00 C ATOM 1100 O PRO A 71 -3.747 11.476 5.286 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.050 13.265 7.110 1.00 0.00 C ATOM 1102 CG PRO A 71 -0.698 13.020 7.714 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.554 11.522 7.915 1.00 0.00 C ATOM 0 HA PRO A 71 -3.395 12.069 8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.981 13.402 6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.507 14.167 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.088 13.397 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.601 13.546 8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.281 11.120 7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.369 11.275 8.961 1.00 0.00 H new ATOM 1111 N THR A 72 -5.227 12.057 6.899 1.00 0.00 N ATOM 1112 CA THR A 72 -6.429 11.762 6.120 1.00 0.00 C ATOM 1113 C THR A 72 -6.327 12.290 4.693 1.00 0.00 C ATOM 1114 O THR A 72 -6.044 13.467 4.462 1.00 0.00 O ATOM 1115 CB THR A 72 -7.683 12.332 6.806 1.00 0.00 C ATOM 1116 OG1 THR A 72 -7.749 11.841 8.151 1.00 0.00 O ATOM 1117 CG2 THR A 72 -8.952 11.935 6.063 1.00 0.00 C ATOM 0 H THR A 72 -5.418 12.460 7.816 1.00 0.00 H new ATOM 0 HA THR A 72 -6.516 10.677 6.070 1.00 0.00 H new ATOM 0 HB THR A 72 -7.611 13.420 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.545 12.203 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.819 12.354 6.574 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.912 12.318 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.035 10.848 6.039 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.585 11.396 3.751 1.00 0.00 N ATOM 1126 CA GLY A 73 -6.323 11.667 2.354 1.00 0.00 C ATOM 1127 C GLY A 73 -5.335 10.657 1.817 1.00 0.00 C ATOM 1128 O GLY A 73 -4.476 10.972 0.988 1.00 0.00 O ATOM 0 H GLY A 73 -6.978 10.473 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.251 11.621 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.927 12.676 2.237 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.460 9.433 2.320 1.00 0.00 N ATOM 1133 CA CYS A 74 -4.510 8.375 2.034 1.00 0.00 C ATOM 1134 C CYS A 74 -5.184 7.141 1.446 1.00 0.00 C ATOM 1135 O CYS A 74 -4.512 6.240 0.966 1.00 0.00 O ATOM 1136 CB CYS A 74 -3.769 8.005 3.304 1.00 0.00 C ATOM 1137 SG CYS A 74 -4.842 7.900 4.755 1.00 0.00 S ATOM 0 H CYS A 74 -6.223 9.152 2.936 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.810 8.748 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.271 7.046 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.990 8.744 3.490 1.00 0.00 H new ATOM 0 HG CYS A 74 -4.221 8.383 5.790 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.502 7.092 1.483 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.225 5.987 0.865 1.00 0.00 C ATOM 1145 C LEU A 75 -7.453 6.284 -0.610 1.00 0.00 C ATOM 1146 O LEU A 75 -7.667 7.437 -0.985 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.567 5.753 1.554 1.00 0.00 C ATOM 1148 CG LEU A 75 -9.526 6.942 1.508 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -10.938 6.462 1.238 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -9.466 7.728 2.809 1.00 0.00 C ATOM 0 H LEU A 75 -7.093 7.794 1.928 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.623 5.084 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.053 4.894 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.384 5.492 2.596 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.223 7.605 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.613 7.317 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.968 5.941 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.249 5.782 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.156 8.571 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.747 7.080 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.452 8.098 2.964 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.424 5.253 -1.445 1.00 0.00 N ATOM 1163 CA TYR A 76 -7.584 5.455 -2.876 1.00 0.00 C ATOM 1164 C TYR A 76 -9.052 5.593 -3.240 1.00 0.00 C ATOM 1165 O TYR A 76 -9.786 4.607 -3.321 1.00 0.00 O ATOM 1166 CB TYR A 76 -6.943 4.318 -3.683 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.015 4.521 -5.186 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -6.074 5.298 -5.851 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.028 3.939 -5.937 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -6.139 5.492 -7.219 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.103 4.127 -7.305 1.00 0.00 C ATOM 1172 CZ TYR A 76 -7.157 4.904 -7.942 1.00 0.00 C ATOM 1173 OH TYR A 76 -7.232 5.094 -9.305 1.00 0.00 O ATOM 0 H TYR A 76 -7.293 4.282 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.069 6.381 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.898 4.219 -3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.436 3.380 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.276 5.760 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.770 3.329 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.398 6.099 -7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.899 3.668 -7.873 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.007 4.610 -9.661 1.00 0.00 H new ATOM 1183 N ASN A 77 -9.471 6.833 -3.418 1.00 0.00 N ATOM 1184 CA ASN A 77 -10.787 7.135 -3.950 1.00 0.00 C ATOM 1185 C ASN A 77 -10.641 7.587 -5.399 1.00 0.00 C ATOM 1186 O ASN A 77 -9.588 8.093 -5.785 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.508 8.188 -3.089 1.00 0.00 C ATOM 1188 CG ASN A 77 -10.651 9.390 -2.723 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -9.768 9.806 -3.470 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -10.911 9.955 -1.554 1.00 0.00 N ATOM 0 H ASN A 77 -8.910 7.656 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.407 6.239 -3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.391 8.536 -3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.858 7.713 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.370 10.764 -1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.652 9.582 -0.961 1.00 0.00 H new