USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot -143:sc= 1.07 USER MOD Single : A 14 ASN : amide:sc= -0.444 K(o=-0.44,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -110:sc= -1.28 (180deg=-3.32!) USER MOD Single : A 33 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 TYR OH : rot 171:sc= -0.794 USER MOD Single : A 42 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0357) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.11! X(o=-3.1!,f=-3.3) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 0.222 (180deg=0.0555) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.553 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc=-0.00329 (180deg=-0.109) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -5.980 20.463 5.991 1.00 0.00 N ATOM 120 CA SER A 12 -6.424 20.082 4.655 1.00 0.00 C ATOM 121 C SER A 12 -7.139 18.735 4.683 1.00 0.00 C ATOM 122 O SER A 12 -6.964 17.929 5.597 1.00 0.00 O ATOM 123 CB SER A 12 -5.232 20.020 3.697 1.00 0.00 C ATOM 124 OG SER A 12 -4.909 21.306 3.200 1.00 0.00 O ATOM 0 HA SER A 12 -7.126 20.838 4.303 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.369 19.599 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.464 19.353 2.866 1.00 0.00 H new ATOM 0 HG SER A 12 -4.636 21.235 2.261 1.00 0.00 H new ATOM 130 N PRO A 13 -7.967 18.484 3.658 1.00 0.00 N ATOM 131 CA PRO A 13 -8.726 17.235 3.541 1.00 0.00 C ATOM 132 C PRO A 13 -7.830 16.039 3.239 1.00 0.00 C ATOM 133 O PRO A 13 -8.152 14.906 3.595 1.00 0.00 O ATOM 134 CB PRO A 13 -9.672 17.504 2.368 1.00 0.00 C ATOM 135 CG PRO A 13 -8.982 18.545 1.555 1.00 0.00 C ATOM 136 CD PRO A 13 -8.224 19.399 2.533 1.00 0.00 C ATOM 0 HA PRO A 13 -9.237 16.980 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.848 16.599 1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.644 17.853 2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.308 18.090 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.701 19.141 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.297 19.776 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.806 20.266 2.845 1.00 0.00 H new ATOM 144 N ASN A 14 -6.705 16.298 2.580 1.00 0.00 N ATOM 145 CA ASN A 14 -5.763 15.241 2.231 1.00 0.00 C ATOM 146 C ASN A 14 -5.022 14.742 3.467 1.00 0.00 C ATOM 147 O ASN A 14 -4.891 13.536 3.682 1.00 0.00 O ATOM 148 CB ASN A 14 -4.761 15.747 1.191 1.00 0.00 C ATOM 149 CG ASN A 14 -4.182 14.624 0.352 1.00 0.00 C ATOM 150 OD1 ASN A 14 -3.028 14.234 0.527 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.985 14.097 -0.566 1.00 0.00 N ATOM 0 H ASN A 14 -6.424 17.231 2.277 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.328 14.410 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.252 16.469 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.952 16.274 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.651 13.338 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.935 14.452 -0.677 1.00 0.00 H new ATOM 158 N LEU A 15 -4.540 15.677 4.279 1.00 0.00 N ATOM 159 CA LEU A 15 -3.812 15.333 5.495 1.00 0.00 C ATOM 160 C LEU A 15 -4.715 14.596 6.480 1.00 0.00 C ATOM 161 O LEU A 15 -4.370 13.519 6.966 1.00 0.00 O ATOM 162 CB LEU A 15 -3.248 16.595 6.150 1.00 0.00 C ATOM 163 CG LEU A 15 -2.521 16.394 7.480 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.312 15.490 7.295 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.102 17.734 8.067 1.00 0.00 C ATOM 0 H LEU A 15 -4.640 16.679 4.117 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.988 14.674 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.558 17.066 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.068 17.295 6.310 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.206 15.913 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.807 15.358 8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.637 14.520 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.624 15.943 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.586 17.571 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.434 18.243 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.986 18.349 8.237 1.00 0.00 H new ATOM 177 N GLN A 16 -5.872 15.183 6.767 1.00 0.00 N ATOM 178 CA GLN A 16 -6.825 14.581 7.692 1.00 0.00 C ATOM 179 C GLN A 16 -7.059 13.112 7.352 1.00 0.00 C ATOM 180 O GLN A 16 -7.137 12.263 8.240 1.00 0.00 O ATOM 181 CB GLN A 16 -8.151 15.342 7.659 1.00 0.00 C ATOM 182 CG GLN A 16 -9.164 14.844 8.678 1.00 0.00 C ATOM 183 CD GLN A 16 -8.860 15.321 10.084 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.224 16.432 10.468 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.188 14.480 10.862 1.00 0.00 N ATOM 0 H GLN A 16 -6.172 16.074 6.373 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.406 14.641 8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.958 16.400 7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.582 15.261 6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.159 15.183 8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.182 13.754 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.906 13.568 10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.954 14.746 11.819 1.00 0.00 H new ATOM 194 N LYS A 17 -7.172 12.820 6.061 1.00 0.00 N ATOM 195 CA LYS A 17 -7.397 11.454 5.603 1.00 0.00 C ATOM 196 C LYS A 17 -6.202 10.565 5.933 1.00 0.00 C ATOM 197 O LYS A 17 -6.364 9.449 6.425 1.00 0.00 O ATOM 198 CB LYS A 17 -7.658 11.437 4.095 1.00 0.00 C ATOM 199 CG LYS A 17 -7.867 10.043 3.529 1.00 0.00 C ATOM 200 CD LYS A 17 -8.772 10.066 2.309 1.00 0.00 C ATOM 201 CE LYS A 17 -9.303 8.679 1.983 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.641 8.736 1.330 1.00 0.00 N ATOM 0 H LYS A 17 -7.111 13.511 5.313 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.272 11.063 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.538 12.043 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.817 11.905 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.903 9.610 3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.303 9.400 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.607 10.744 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.221 10.456 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.600 8.166 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.371 8.092 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.968 7.771 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.318 9.203 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.572 9.275 0.443 1.00 0.00 H new ATOM 216 N ALA A 18 -5.003 11.069 5.659 1.00 0.00 N ATOM 217 CA ALA A 18 -3.781 10.322 5.931 1.00 0.00 C ATOM 218 C ALA A 18 -3.714 9.892 7.392 1.00 0.00 C ATOM 219 O ALA A 18 -3.306 8.772 7.701 1.00 0.00 O ATOM 220 CB ALA A 18 -2.561 11.155 5.567 1.00 0.00 C ATOM 0 H ALA A 18 -4.852 11.991 5.249 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.790 9.423 5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.656 10.585 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.595 11.407 4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.557 12.071 6.158 1.00 0.00 H new ATOM 226 N ILE A 19 -4.115 10.789 8.287 1.00 0.00 N ATOM 227 CA ILE A 19 -4.100 10.501 9.716 1.00 0.00 C ATOM 228 C ILE A 19 -5.013 9.326 10.050 1.00 0.00 C ATOM 229 O ILE A 19 -4.575 8.332 10.629 1.00 0.00 O ATOM 230 CB ILE A 19 -4.536 11.726 10.541 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.556 12.883 10.334 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.633 11.364 12.016 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.152 14.240 10.634 1.00 0.00 C ATOM 0 H ILE A 19 -4.454 11.721 8.048 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.073 10.245 9.976 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.521 12.044 10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.685 12.729 10.971 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.203 12.870 9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.942 12.240 12.586 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.366 10.568 12.148 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.660 11.024 12.372 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.401 15.012 10.466 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.006 14.415 9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.479 14.272 11.673 1.00 0.00 H new ATOM 245 N ASP A 20 -6.282 9.446 9.679 1.00 0.00 N ATOM 246 CA ASP A 20 -7.257 8.393 9.936 1.00 0.00 C ATOM 247 C ASP A 20 -6.753 7.048 9.421 1.00 0.00 C ATOM 248 O ASP A 20 -6.709 6.065 10.161 1.00 0.00 O ATOM 249 CB ASP A 20 -8.595 8.735 9.279 1.00 0.00 C ATOM 250 CG ASP A 20 -9.758 7.999 9.915 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.998 8.201 11.124 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.428 7.222 9.204 1.00 0.00 O ATOM 0 H ASP A 20 -6.660 10.263 9.199 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.399 8.319 11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.767 9.809 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.549 8.488 8.218 1.00 0.00 H new ATOM 257 N LEU A 21 -6.374 7.012 8.148 1.00 0.00 N ATOM 258 CA LEU A 21 -5.874 5.788 7.533 1.00 0.00 C ATOM 259 C LEU A 21 -4.754 5.177 8.370 1.00 0.00 C ATOM 260 O LEU A 21 -4.847 4.029 8.805 1.00 0.00 O ATOM 261 CB LEU A 21 -5.370 6.074 6.117 1.00 0.00 C ATOM 262 CG LEU A 21 -6.445 6.212 5.038 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.854 6.808 3.770 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.086 4.863 4.748 1.00 0.00 C ATOM 0 H LEU A 21 -6.404 7.817 7.522 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.696 5.074 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.786 6.994 6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.691 5.272 5.825 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.218 6.887 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.633 6.899 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.443 7.794 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.061 6.159 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.848 4.980 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.324 4.165 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.545 4.475 5.657 1.00 0.00 H new ATOM 276 N ALA A 22 -3.698 5.952 8.592 1.00 0.00 N ATOM 277 CA ALA A 22 -2.562 5.489 9.379 1.00 0.00 C ATOM 278 C ALA A 22 -3.019 4.918 10.718 1.00 0.00 C ATOM 279 O ALA A 22 -2.511 3.893 11.173 1.00 0.00 O ATOM 280 CB ALA A 22 -1.573 6.624 9.597 1.00 0.00 C ATOM 0 H ALA A 22 -3.605 6.904 8.238 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.067 4.693 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.730 6.264 10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.214 6.984 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.065 7.439 10.128 1.00 0.00 H new ATOM 286 N SER A 23 -3.980 5.589 11.345 1.00 0.00 N ATOM 287 CA SER A 23 -4.502 5.151 12.634 1.00 0.00 C ATOM 288 C SER A 23 -5.247 3.826 12.497 1.00 0.00 C ATOM 289 O SER A 23 -5.084 2.921 13.315 1.00 0.00 O ATOM 290 CB SER A 23 -5.434 6.214 13.219 1.00 0.00 C ATOM 291 OG SER A 23 -5.541 6.080 14.625 1.00 0.00 O ATOM 0 H SER A 23 -4.413 6.438 10.981 1.00 0.00 H new ATOM 0 HA SER A 23 -3.658 5.006 13.309 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.058 7.207 12.973 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.421 6.126 12.766 1.00 0.00 H new ATOM 0 HG SER A 23 -6.141 6.772 14.975 1.00 0.00 H new ATOM 297 N LYS A 24 -6.065 3.720 11.455 1.00 0.00 N ATOM 298 CA LYS A 24 -6.835 2.506 11.208 1.00 0.00 C ATOM 299 C LYS A 24 -5.913 1.315 10.972 1.00 0.00 C ATOM 300 O LYS A 24 -6.134 0.231 11.510 1.00 0.00 O ATOM 301 CB LYS A 24 -7.756 2.700 10.000 1.00 0.00 C ATOM 302 CG LYS A 24 -9.020 1.860 10.059 1.00 0.00 C ATOM 303 CD LYS A 24 -9.945 2.163 8.892 1.00 0.00 C ATOM 304 CE LYS A 24 -11.248 1.386 8.998 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.335 2.014 8.197 1.00 0.00 N ATOM 0 H LYS A 24 -6.212 4.460 10.768 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.441 2.303 12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.032 3.752 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.207 2.452 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.756 0.802 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.541 2.051 10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.159 3.232 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.446 1.913 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.090 0.363 8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.553 1.329 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.206 1.455 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.504 2.981 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.055 2.045 7.196 1.00 0.00 H new ATOM 319 N ALA A 25 -4.878 1.525 10.165 1.00 0.00 N ATOM 320 CA ALA A 25 -3.920 0.469 9.861 1.00 0.00 C ATOM 321 C ALA A 25 -3.562 -0.324 11.113 1.00 0.00 C ATOM 322 O ALA A 25 -3.681 -1.549 11.138 1.00 0.00 O ATOM 323 CB ALA A 25 -2.667 1.059 9.230 1.00 0.00 C ATOM 0 H ALA A 25 -4.682 2.417 9.710 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.383 -0.215 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.960 0.259 9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.933 1.575 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.209 1.766 9.922 1.00 0.00 H new ATOM 329 N ALA A 26 -3.121 0.381 12.149 1.00 0.00 N ATOM 330 CA ALA A 26 -2.747 -0.257 13.405 1.00 0.00 C ATOM 331 C ALA A 26 -3.925 -1.013 14.009 1.00 0.00 C ATOM 332 O ALA A 26 -3.775 -2.140 14.480 1.00 0.00 O ATOM 333 CB ALA A 26 -2.221 0.778 14.387 1.00 0.00 C ATOM 0 H ALA A 26 -3.014 1.395 12.143 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.956 -0.977 13.196 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.946 0.287 15.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.345 1.269 13.963 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.995 1.521 14.582 1.00 0.00 H new ATOM 339 N GLN A 27 -5.096 -0.384 13.993 1.00 0.00 N ATOM 340 CA GLN A 27 -6.300 -0.998 14.541 1.00 0.00 C ATOM 341 C GLN A 27 -6.490 -2.409 13.993 1.00 0.00 C ATOM 342 O GLN A 27 -6.725 -3.351 14.749 1.00 0.00 O ATOM 343 CB GLN A 27 -7.527 -0.144 14.217 1.00 0.00 C ATOM 344 CG GLN A 27 -7.436 1.277 14.750 1.00 0.00 C ATOM 345 CD GLN A 27 -8.796 1.877 15.047 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.444 1.519 16.031 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.237 2.796 14.195 1.00 0.00 N ATOM 0 H GLN A 27 -5.237 0.550 13.607 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.184 -1.060 15.623 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.661 -0.110 13.136 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.413 -0.623 14.633 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.834 1.282 15.659 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.919 1.902 14.022 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.667 3.063 13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.146 3.235 14.343 1.00 0.00 H new ATOM 356 N GLU A 28 -6.385 -2.546 12.675 1.00 0.00 N ATOM 357 CA GLU A 28 -6.546 -3.842 12.027 1.00 0.00 C ATOM 358 C GLU A 28 -5.493 -4.831 12.519 1.00 0.00 C ATOM 359 O GLU A 28 -5.822 -5.910 13.011 1.00 0.00 O ATOM 360 CB GLU A 28 -6.451 -3.693 10.507 1.00 0.00 C ATOM 361 CG GLU A 28 -7.578 -2.871 9.905 1.00 0.00 C ATOM 362 CD GLU A 28 -8.949 -3.353 10.339 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.415 -4.380 9.803 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.555 -2.702 11.216 1.00 0.00 O ATOM 0 H GLU A 28 -6.189 -1.776 12.036 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.532 -4.229 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.498 -3.228 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.452 -4.684 10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.456 -1.827 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.511 -2.910 8.818 1.00 0.00 H new ATOM 371 N ASP A 29 -4.227 -4.455 12.381 1.00 0.00 N ATOM 372 CA ASP A 29 -3.125 -5.307 12.811 1.00 0.00 C ATOM 373 C ASP A 29 -3.362 -5.830 14.224 1.00 0.00 C ATOM 374 O ASP A 29 -3.349 -7.038 14.461 1.00 0.00 O ATOM 375 CB ASP A 29 -1.804 -4.538 12.753 1.00 0.00 C ATOM 376 CG ASP A 29 -0.600 -5.457 12.711 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.726 -6.577 12.173 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.470 -5.056 13.214 1.00 0.00 O ATOM 0 H ASP A 29 -3.938 -3.565 11.974 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.070 -6.158 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.799 -3.897 11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.729 -3.885 13.623 1.00 0.00 H new ATOM 383 N LYS A 30 -3.577 -4.912 15.161 1.00 0.00 N ATOM 384 CA LYS A 30 -3.817 -5.279 16.551 1.00 0.00 C ATOM 385 C LYS A 30 -4.908 -6.340 16.654 1.00 0.00 C ATOM 386 O LYS A 30 -4.792 -7.291 17.426 1.00 0.00 O ATOM 387 CB LYS A 30 -4.213 -4.045 17.365 1.00 0.00 C ATOM 388 CG LYS A 30 -4.359 -4.318 18.852 1.00 0.00 C ATOM 389 CD LYS A 30 -5.776 -4.734 19.206 1.00 0.00 C ATOM 390 CE LYS A 30 -6.736 -3.555 19.142 1.00 0.00 C ATOM 391 NZ LYS A 30 -7.336 -3.402 17.789 1.00 0.00 N ATOM 0 H LYS A 30 -3.590 -3.908 14.982 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.893 -5.693 16.955 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.463 -3.268 17.219 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.156 -3.654 16.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.664 -5.103 19.149 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.090 -3.424 19.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.109 -5.514 18.521 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.791 -5.163 20.208 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.529 -3.692 19.878 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.207 -2.641 19.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.955 -2.548 17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.104 -4.235 17.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.369 -3.317 17.875 1.00 0.00 H new ATOM 405 N ALA A 31 -5.967 -6.170 15.869 1.00 0.00 N ATOM 406 CA ALA A 31 -7.077 -7.115 15.869 1.00 0.00 C ATOM 407 C ALA A 31 -6.662 -8.450 15.261 1.00 0.00 C ATOM 408 O ALA A 31 -7.176 -9.502 15.638 1.00 0.00 O ATOM 409 CB ALA A 31 -8.264 -6.535 15.113 1.00 0.00 C ATOM 0 H ALA A 31 -6.080 -5.387 15.225 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.370 -7.292 16.904 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.086 -7.251 15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.584 -5.610 15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.973 -6.328 14.083 1.00 0.00 H new ATOM 415 N GLY A 32 -5.727 -8.400 14.316 1.00 0.00 N ATOM 416 CA GLY A 32 -5.260 -9.613 13.670 1.00 0.00 C ATOM 417 C GLY A 32 -5.311 -9.521 12.158 1.00 0.00 C ATOM 418 O GLY A 32 -4.962 -10.472 11.460 1.00 0.00 O ATOM 0 H GLY A 32 -5.285 -7.542 13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.236 -9.817 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.869 -10.455 14.000 1.00 0.00 H new ATOM 422 N ASN A 33 -5.749 -8.373 11.651 1.00 0.00 N ATOM 423 CA ASN A 33 -5.847 -8.162 10.211 1.00 0.00 C ATOM 424 C ASN A 33 -4.557 -7.560 9.661 1.00 0.00 C ATOM 425 O ASN A 33 -4.277 -6.378 9.860 1.00 0.00 O ATOM 426 CB ASN A 33 -7.029 -7.246 9.888 1.00 0.00 C ATOM 427 CG ASN A 33 -8.325 -8.013 9.716 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.340 -9.110 9.157 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.421 -7.439 10.196 1.00 0.00 N ATOM 0 H ASN A 33 -6.041 -7.575 12.215 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.007 -9.130 9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.147 -6.514 10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.815 -6.690 8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.322 -7.908 10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.362 -6.529 10.652 1.00 0.00 H new ATOM 436 N TYR A 34 -3.777 -8.381 8.967 1.00 0.00 N ATOM 437 CA TYR A 34 -2.516 -7.931 8.389 1.00 0.00 C ATOM 438 C TYR A 34 -2.722 -7.415 6.968 1.00 0.00 C ATOM 439 O TYR A 34 -2.159 -6.391 6.581 1.00 0.00 O ATOM 440 CB TYR A 34 -1.496 -9.071 8.386 1.00 0.00 C ATOM 441 CG TYR A 34 -0.864 -9.321 9.736 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.616 -9.245 10.902 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.486 -9.631 9.847 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.042 -9.471 12.138 1.00 0.00 C ATOM 445 CE2 TYR A 34 1.067 -9.861 11.079 1.00 0.00 C ATOM 446 CZ TYR A 34 0.299 -9.780 12.221 1.00 0.00 C ATOM 447 OH TYR A 34 0.875 -10.006 13.450 1.00 0.00 O ATOM 0 H TYR A 34 -3.996 -9.362 8.791 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.136 -7.114 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.986 -9.985 8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.712 -8.844 7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.667 -9.005 10.841 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.091 -9.693 8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.641 -9.406 13.035 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.117 -10.103 11.147 1.00 0.00 H new ATOM 0 HH TYR A 34 1.826 -10.212 13.333 1.00 0.00 H new ATOM 457 N GLU A 35 -3.534 -8.131 6.196 1.00 0.00 N ATOM 458 CA GLU A 35 -3.814 -7.746 4.818 1.00 0.00 C ATOM 459 C GLU A 35 -4.472 -6.370 4.761 1.00 0.00 C ATOM 460 O GLU A 35 -4.144 -5.549 3.905 1.00 0.00 O ATOM 461 CB GLU A 35 -4.718 -8.784 4.149 1.00 0.00 C ATOM 462 CG GLU A 35 -4.771 -8.658 2.636 1.00 0.00 C ATOM 463 CD GLU A 35 -5.233 -9.936 1.961 1.00 0.00 C ATOM 464 OE1 GLU A 35 -4.464 -10.920 1.963 1.00 0.00 O ATOM 465 OE2 GLU A 35 -6.363 -9.950 1.430 1.00 0.00 O ATOM 0 H GLU A 35 -4.009 -8.980 6.502 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.867 -7.699 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.366 -9.782 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.727 -8.687 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.445 -7.845 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.783 -8.391 2.262 1.00 0.00 H new ATOM 472 N GLU A 36 -5.403 -6.127 5.679 1.00 0.00 N ATOM 473 CA GLU A 36 -6.108 -4.852 5.732 1.00 0.00 C ATOM 474 C GLU A 36 -5.212 -3.759 6.308 1.00 0.00 C ATOM 475 O GLU A 36 -5.270 -2.606 5.882 1.00 0.00 O ATOM 476 CB GLU A 36 -7.379 -4.981 6.574 1.00 0.00 C ATOM 477 CG GLU A 36 -8.474 -4.006 6.175 1.00 0.00 C ATOM 478 CD GLU A 36 -9.340 -4.531 5.046 1.00 0.00 C ATOM 479 OE1 GLU A 36 -8.944 -4.370 3.872 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.412 -5.101 5.335 1.00 0.00 O ATOM 0 H GLU A 36 -5.686 -6.796 6.395 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.382 -4.575 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.761 -5.998 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.128 -4.823 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.101 -3.796 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.022 -3.062 5.872 1.00 0.00 H new ATOM 487 N ALA A 37 -4.386 -4.130 7.280 1.00 0.00 N ATOM 488 CA ALA A 37 -3.477 -3.183 7.914 1.00 0.00 C ATOM 489 C ALA A 37 -2.420 -2.694 6.930 1.00 0.00 C ATOM 490 O ALA A 37 -1.880 -1.597 7.078 1.00 0.00 O ATOM 491 CB ALA A 37 -2.817 -3.818 9.129 1.00 0.00 C ATOM 0 H ALA A 37 -4.327 -5.080 7.646 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.059 -2.321 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.141 -3.100 9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.583 -4.112 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.254 -4.698 8.819 1.00 0.00 H new ATOM 497 N LEU A 38 -2.128 -3.514 5.927 1.00 0.00 N ATOM 498 CA LEU A 38 -1.134 -3.164 4.918 1.00 0.00 C ATOM 499 C LEU A 38 -1.638 -2.035 4.025 1.00 0.00 C ATOM 500 O LEU A 38 -1.095 -0.931 4.040 1.00 0.00 O ATOM 501 CB LEU A 38 -0.791 -4.388 4.067 1.00 0.00 C ATOM 502 CG LEU A 38 0.059 -4.124 2.823 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.501 -3.836 3.213 1.00 0.00 C ATOM 504 CD2 LEU A 38 -0.010 -5.307 1.868 1.00 0.00 C ATOM 0 H LEU A 38 -2.565 -4.426 5.790 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.236 -2.822 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.266 -5.107 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.722 -4.860 3.753 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.341 -3.247 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.091 -3.651 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.535 -2.957 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.912 -4.693 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.601 -5.101 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.363 -6.201 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.044 -5.468 1.562 1.00 0.00 H new ATOM 516 N GLN A 39 -2.680 -2.320 3.251 1.00 0.00 N ATOM 517 CA GLN A 39 -3.258 -1.327 2.353 1.00 0.00 C ATOM 518 C GLN A 39 -3.398 0.022 3.051 1.00 0.00 C ATOM 519 O GLN A 39 -3.155 1.071 2.452 1.00 0.00 O ATOM 520 CB GLN A 39 -4.623 -1.798 1.848 1.00 0.00 C ATOM 521 CG GLN A 39 -5.757 -1.531 2.824 1.00 0.00 C ATOM 522 CD GLN A 39 -7.124 -1.733 2.199 1.00 0.00 C ATOM 523 OE1 GLN A 39 -7.257 -2.397 1.171 1.00 0.00 O ATOM 524 NE2 GLN A 39 -8.149 -1.160 2.819 1.00 0.00 N ATOM 0 H GLN A 39 -3.141 -3.230 3.228 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.586 -1.208 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.843 -1.301 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.576 -2.867 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.654 -2.192 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.679 -0.509 3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.993 -0.618 3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.093 -1.262 2.445 1.00 0.00 H new ATOM 533 N LEU A 40 -3.792 -0.012 4.319 1.00 0.00 N ATOM 534 CA LEU A 40 -3.965 1.208 5.099 1.00 0.00 C ATOM 535 C LEU A 40 -2.622 1.881 5.364 1.00 0.00 C ATOM 536 O LEU A 40 -2.485 3.096 5.221 1.00 0.00 O ATOM 537 CB LEU A 40 -4.662 0.895 6.424 1.00 0.00 C ATOM 538 CG LEU A 40 -6.105 0.399 6.323 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.624 -0.014 7.691 1.00 0.00 C ATOM 540 CD2 LEU A 40 -6.996 1.471 5.714 1.00 0.00 C ATOM 0 H LEU A 40 -3.998 -0.871 4.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.586 1.893 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.076 0.142 6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.651 1.795 7.039 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.124 -0.474 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.652 -0.364 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.002 -0.815 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.591 0.841 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.019 1.100 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.972 2.363 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.637 1.719 4.715 1.00 0.00 H new ATOM 552 N TYR A 41 -1.633 1.082 5.750 1.00 0.00 N ATOM 553 CA TYR A 41 -0.300 1.600 6.035 1.00 0.00 C ATOM 554 C TYR A 41 0.312 2.244 4.795 1.00 0.00 C ATOM 555 O TYR A 41 1.069 3.209 4.893 1.00 0.00 O ATOM 556 CB TYR A 41 0.609 0.477 6.540 1.00 0.00 C ATOM 557 CG TYR A 41 0.441 0.179 8.013 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.489 1.197 8.958 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.235 -1.120 8.460 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.337 0.929 10.304 1.00 0.00 C ATOM 561 CE2 TYR A 41 0.081 -1.397 9.804 1.00 0.00 C ATOM 562 CZ TYR A 41 0.132 -0.370 10.722 1.00 0.00 C ATOM 563 OH TYR A 41 -0.020 -0.641 12.063 1.00 0.00 O ATOM 0 H TYR A 41 -1.729 0.074 5.873 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.392 2.361 6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.405 -0.429 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.647 0.747 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.648 2.215 8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.195 -1.927 7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.378 1.732 11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.079 -2.413 10.134 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.298 -1.573 12.179 1.00 0.00 H new ATOM 573 N GLN A 42 -0.025 1.704 3.628 1.00 0.00 N ATOM 574 CA GLN A 42 0.490 2.226 2.368 1.00 0.00 C ATOM 575 C GLN A 42 -0.237 3.507 1.971 1.00 0.00 C ATOM 576 O GLN A 42 0.391 4.508 1.625 1.00 0.00 O ATOM 577 CB GLN A 42 0.345 1.180 1.261 1.00 0.00 C ATOM 578 CG GLN A 42 1.067 -0.124 1.559 1.00 0.00 C ATOM 579 CD GLN A 42 1.428 -0.892 0.302 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.428 -0.599 -0.353 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.612 -1.881 -0.042 1.00 0.00 N ATOM 0 H GLN A 42 -0.652 0.906 3.529 1.00 0.00 H new ATOM 0 HA GLN A 42 1.546 2.457 2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.714 0.972 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.729 1.594 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.975 0.089 2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.436 -0.748 2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.206 -2.090 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.803 -2.432 -0.879 1.00 0.00 H new ATOM 590 N HIS A 43 -1.565 3.469 2.024 1.00 0.00 N ATOM 591 CA HIS A 43 -2.377 4.627 1.671 1.00 0.00 C ATOM 592 C HIS A 43 -1.976 5.845 2.497 1.00 0.00 C ATOM 593 O HIS A 43 -1.701 6.914 1.952 1.00 0.00 O ATOM 594 CB HIS A 43 -3.860 4.319 1.881 1.00 0.00 C ATOM 595 CG HIS A 43 -4.530 3.742 0.672 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.666 4.432 -0.514 1.00 0.00 N ATOM 597 CD2 HIS A 43 -5.102 2.532 0.470 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.294 3.672 -1.393 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.569 2.514 -0.821 1.00 0.00 N ATOM 0 H HIS A 43 -2.101 2.649 2.308 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.206 4.852 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.963 3.620 2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.375 5.235 2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.177 1.730 1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.541 3.950 -2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.050 1.733 -1.266 1.00 0.00 H new ATOM 608 N ALA A 44 -1.945 5.676 3.815 1.00 0.00 N ATOM 609 CA ALA A 44 -1.577 6.761 4.716 1.00 0.00 C ATOM 610 C ALA A 44 -0.361 7.518 4.194 1.00 0.00 C ATOM 611 O ALA A 44 -0.355 8.749 4.151 1.00 0.00 O ATOM 612 CB ALA A 44 -1.304 6.218 6.111 1.00 0.00 C ATOM 0 H ALA A 44 -2.170 4.798 4.282 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.413 7.459 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.030 7.039 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.200 5.727 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.486 5.498 6.068 1.00 0.00 H new ATOM 618 N VAL A 45 0.669 6.776 3.799 1.00 0.00 N ATOM 619 CA VAL A 45 1.891 7.379 3.279 1.00 0.00 C ATOM 620 C VAL A 45 1.621 8.139 1.986 1.00 0.00 C ATOM 621 O VAL A 45 2.094 9.260 1.804 1.00 0.00 O ATOM 622 CB VAL A 45 2.975 6.315 3.021 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.252 6.967 2.514 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.242 5.510 4.283 1.00 0.00 C ATOM 0 H VAL A 45 0.682 5.757 3.829 1.00 0.00 H new ATOM 0 HA VAL A 45 2.249 8.075 4.037 1.00 0.00 H new ATOM 0 HB VAL A 45 2.614 5.632 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.006 6.200 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.046 7.495 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.620 7.674 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.010 4.763 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.582 6.177 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.325 5.012 4.598 1.00 0.00 H new ATOM 634 N GLN A 46 0.859 7.520 1.090 1.00 0.00 N ATOM 635 CA GLN A 46 0.527 8.139 -0.188 1.00 0.00 C ATOM 636 C GLN A 46 -0.077 9.525 0.019 1.00 0.00 C ATOM 637 O GLN A 46 0.329 10.492 -0.624 1.00 0.00 O ATOM 638 CB GLN A 46 -0.449 7.256 -0.968 1.00 0.00 C ATOM 639 CG GLN A 46 0.117 5.890 -1.321 1.00 0.00 C ATOM 640 CD GLN A 46 0.983 5.920 -2.565 1.00 0.00 C ATOM 641 OE1 GLN A 46 0.556 6.385 -3.622 1.00 0.00 O ATOM 642 NE2 GLN A 46 2.209 5.424 -2.445 1.00 0.00 N ATOM 0 H GLN A 46 0.460 6.591 1.225 1.00 0.00 H new ATOM 0 HA GLN A 46 1.448 8.246 -0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.356 7.123 -0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.737 7.769 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.705 5.517 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.704 5.189 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.522 5.049 -1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.838 5.419 -3.248 1.00 0.00 H new ATOM 651 N TYR A 47 -1.049 9.612 0.920 1.00 0.00 N ATOM 652 CA TYR A 47 -1.711 10.879 1.210 1.00 0.00 C ATOM 653 C TYR A 47 -0.769 11.832 1.938 1.00 0.00 C ATOM 654 O TYR A 47 -0.636 12.998 1.565 1.00 0.00 O ATOM 655 CB TYR A 47 -2.966 10.641 2.052 1.00 0.00 C ATOM 656 CG TYR A 47 -4.132 10.094 1.261 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.967 10.941 0.541 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.401 8.731 1.233 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.034 10.446 -0.183 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.465 8.228 0.511 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.279 9.089 -0.195 1.00 0.00 C ATOM 662 OH TYR A 47 -7.341 8.591 -0.915 1.00 0.00 O ATOM 0 H TYR A 47 -1.396 8.821 1.462 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.998 11.335 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.727 9.946 2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.263 11.580 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.778 12.004 0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.767 8.053 1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.673 11.118 -0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.659 7.166 0.499 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.373 7.616 -0.819 1.00 0.00 H new ATOM 672 N PHE A 48 -0.115 11.327 2.979 1.00 0.00 N ATOM 673 CA PHE A 48 0.815 12.132 3.761 1.00 0.00 C ATOM 674 C PHE A 48 1.837 12.815 2.857 1.00 0.00 C ATOM 675 O PHE A 48 2.045 14.027 2.940 1.00 0.00 O ATOM 676 CB PHE A 48 1.534 11.261 4.794 1.00 0.00 C ATOM 677 CG PHE A 48 0.767 11.093 6.074 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.298 12.199 6.766 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.515 9.831 6.586 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.408 12.048 7.945 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.191 9.674 7.764 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.652 10.784 8.445 1.00 0.00 C ATOM 0 H PHE A 48 -0.212 10.364 3.300 1.00 0.00 H new ATOM 0 HA PHE A 48 0.242 12.901 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.722 10.279 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.505 11.703 5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.486 13.190 6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.874 8.960 6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.768 12.918 8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.382 8.684 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.202 10.664 9.367 1.00 0.00 H new ATOM 692 N LEU A 49 2.471 12.031 1.993 1.00 0.00 N ATOM 693 CA LEU A 49 3.472 12.558 1.072 1.00 0.00 C ATOM 694 C LEU A 49 2.873 13.639 0.178 1.00 0.00 C ATOM 695 O LEU A 49 3.354 14.773 0.150 1.00 0.00 O ATOM 696 CB LEU A 49 4.047 11.431 0.212 1.00 0.00 C ATOM 697 CG LEU A 49 5.088 10.537 0.888 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.435 9.355 -0.005 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.337 11.336 1.229 1.00 0.00 C ATOM 0 H LEU A 49 2.310 11.027 1.911 1.00 0.00 H new ATOM 0 HA LEU A 49 4.274 13.002 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.223 10.803 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.498 11.873 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 49 4.663 10.153 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.177 8.729 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.537 8.769 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.840 9.719 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.066 10.684 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.765 11.749 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.075 12.149 1.907 1.00 0.00 H new ATOM 711 N HIS A 50 1.819 13.282 -0.550 1.00 0.00 N ATOM 712 CA HIS A 50 1.153 14.223 -1.443 1.00 0.00 C ATOM 713 C HIS A 50 1.015 15.592 -0.785 1.00 0.00 C ATOM 714 O HIS A 50 1.154 16.625 -1.441 1.00 0.00 O ATOM 715 CB HIS A 50 -0.226 13.694 -1.838 1.00 0.00 C ATOM 716 CG HIS A 50 -0.948 14.571 -2.814 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.532 14.749 -4.116 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.065 15.322 -2.672 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.361 15.573 -4.733 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.301 15.934 -3.878 1.00 0.00 N ATOM 0 H HIS A 50 1.408 12.348 -0.539 1.00 0.00 H new ATOM 0 HA HIS A 50 1.764 14.330 -2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.114 12.699 -2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.835 13.585 -0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.660 15.421 -1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.283 15.896 -5.761 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.076 16.565 -4.081 1.00 0.00 H new ATOM 729 N VAL A 51 0.741 15.594 0.516 1.00 0.00 N ATOM 730 CA VAL A 51 0.585 16.836 1.263 1.00 0.00 C ATOM 731 C VAL A 51 1.913 17.575 1.385 1.00 0.00 C ATOM 732 O VAL A 51 2.046 18.713 0.935 1.00 0.00 O ATOM 733 CB VAL A 51 0.023 16.576 2.674 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.004 17.864 3.483 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.365 15.960 2.589 1.00 0.00 C ATOM 0 H VAL A 51 0.623 14.749 1.074 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.121 17.453 0.707 1.00 0.00 H new ATOM 0 HB VAL A 51 0.678 15.869 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.404 17.661 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.008 18.259 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.636 18.596 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.747 15.783 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.033 16.641 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.311 15.014 2.050 1.00 0.00 H new ATOM 745 N VAL A 52 2.894 16.919 1.995 1.00 0.00 N ATOM 746 CA VAL A 52 4.214 17.513 2.175 1.00 0.00 C ATOM 747 C VAL A 52 4.780 18.007 0.848 1.00 0.00 C ATOM 748 O VAL A 52 5.641 18.886 0.817 1.00 0.00 O ATOM 749 CB VAL A 52 5.201 16.508 2.799 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.580 17.134 2.944 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.684 16.020 4.144 1.00 0.00 C ATOM 0 H VAL A 52 2.800 15.976 2.373 1.00 0.00 H new ATOM 0 HA VAL A 52 4.091 18.359 2.852 1.00 0.00 H new ATOM 0 HB VAL A 52 5.287 15.648 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.264 16.410 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.950 17.430 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.515 18.012 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.393 15.311 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.568 16.868 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.720 15.531 4.007 1.00 0.00 H new ATOM 761 N LYS A 53 4.290 17.435 -0.247 1.00 0.00 N ATOM 762 CA LYS A 53 4.744 17.818 -1.578 1.00 0.00 C ATOM 763 C LYS A 53 4.096 19.126 -2.019 1.00 0.00 C ATOM 764 O LYS A 53 4.775 20.139 -2.192 1.00 0.00 O ATOM 765 CB LYS A 53 4.423 16.712 -2.586 1.00 0.00 C ATOM 766 CG LYS A 53 5.399 16.646 -3.749 1.00 0.00 C ATOM 767 CD LYS A 53 5.084 17.697 -4.801 1.00 0.00 C ATOM 768 CE LYS A 53 6.317 18.054 -5.617 1.00 0.00 C ATOM 769 NZ LYS A 53 7.249 18.934 -4.858 1.00 0.00 N ATOM 0 H LYS A 53 3.578 16.704 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 53 5.824 17.964 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.420 15.752 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.417 16.868 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.415 16.791 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.362 15.655 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.302 17.327 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.694 18.593 -4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.836 17.141 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.012 18.555 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.006 19.265 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.727 19.753 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.665 18.400 -4.069 1.00 0.00 H new ATOM 783 N TYR A 54 2.780 19.099 -2.198 1.00 0.00 N ATOM 784 CA TYR A 54 2.041 20.283 -2.620 1.00 0.00 C ATOM 785 C TYR A 54 1.495 21.042 -1.414 1.00 0.00 C ATOM 786 O TYR A 54 1.794 22.220 -1.223 1.00 0.00 O ATOM 787 CB TYR A 54 0.893 19.888 -3.551 1.00 0.00 C ATOM 788 CG TYR A 54 1.346 19.155 -4.793 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.595 17.788 -4.764 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.526 19.828 -5.995 1.00 0.00 C ATOM 791 CE1 TYR A 54 2.009 17.113 -5.896 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.938 19.161 -7.132 1.00 0.00 C ATOM 793 CZ TYR A 54 2.179 17.804 -7.078 1.00 0.00 C ATOM 794 OH TYR A 54 2.591 17.137 -8.208 1.00 0.00 O ATOM 0 H TYR A 54 2.203 18.270 -2.057 1.00 0.00 H new ATOM 0 HA TYR A 54 2.727 20.937 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.192 19.258 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.351 20.786 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.463 17.244 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.341 20.891 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.198 16.051 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.071 19.699 -8.059 1.00 0.00 H new ATOM 0 HH TYR A 54 2.660 17.769 -8.954 1.00 0.00 H new ATOM 804 N GLU A 55 0.694 20.357 -0.605 1.00 0.00 N ATOM 805 CA GLU A 55 0.106 20.966 0.582 1.00 0.00 C ATOM 806 C GLU A 55 1.093 20.955 1.746 1.00 0.00 C ATOM 807 O GLU A 55 0.717 20.708 2.891 1.00 0.00 O ATOM 808 CB GLU A 55 -1.175 20.230 0.979 1.00 0.00 C ATOM 809 CG GLU A 55 -2.219 20.187 -0.124 1.00 0.00 C ATOM 810 CD GLU A 55 -3.487 19.472 0.300 1.00 0.00 C ATOM 811 OE1 GLU A 55 -3.565 18.240 0.112 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.402 20.145 0.820 1.00 0.00 O ATOM 0 H GLU A 55 0.437 19.380 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.137 22.002 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.923 19.210 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.605 20.714 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.464 21.205 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.799 19.687 -0.997 1.00 0.00 H new ATOM 819 N ALA A 56 2.359 21.222 1.442 1.00 0.00 N ATOM 820 CA ALA A 56 3.401 21.244 2.462 1.00 0.00 C ATOM 821 C ALA A 56 3.053 22.219 3.582 1.00 0.00 C ATOM 822 O ALA A 56 2.052 22.932 3.507 1.00 0.00 O ATOM 823 CB ALA A 56 4.741 21.609 1.840 1.00 0.00 C ATOM 0 H ALA A 56 2.688 21.426 0.498 1.00 0.00 H new ATOM 0 HA ALA A 56 3.473 20.246 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.509 21.622 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.002 20.872 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.672 22.595 1.380 1.00 0.00 H new ATOM 829 N GLN A 57 3.884 22.243 4.619 1.00 0.00 N ATOM 830 CA GLN A 57 3.661 23.130 5.755 1.00 0.00 C ATOM 831 C GLN A 57 4.971 23.426 6.478 1.00 0.00 C ATOM 832 O GLN A 57 6.036 22.969 6.067 1.00 0.00 O ATOM 833 CB GLN A 57 2.658 22.506 6.727 1.00 0.00 C ATOM 834 CG GLN A 57 2.720 20.988 6.775 1.00 0.00 C ATOM 835 CD GLN A 57 1.788 20.398 7.815 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.420 21.064 8.783 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.401 19.143 7.620 1.00 0.00 N ATOM 0 H GLN A 57 4.717 21.659 4.696 1.00 0.00 H new ATOM 0 HA GLN A 57 3.254 24.068 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.840 22.900 7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.651 22.811 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.464 20.587 5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.742 20.677 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.731 18.629 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.774 18.693 8.287 1.00 0.00 H new ATOM 846 N GLY A 58 4.883 24.196 7.559 1.00 0.00 N ATOM 847 CA GLY A 58 6.068 24.541 8.322 1.00 0.00 C ATOM 848 C GLY A 58 7.061 23.398 8.399 1.00 0.00 C ATOM 849 O GLY A 58 6.689 22.233 8.258 1.00 0.00 O ATOM 0 H GLY A 58 4.012 24.587 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.550 25.407 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.775 24.832 9.331 1.00 0.00 H new ATOM 853 N ASP A 59 8.328 23.732 8.621 1.00 0.00 N ATOM 854 CA ASP A 59 9.378 22.725 8.715 1.00 0.00 C ATOM 855 C ASP A 59 9.156 21.819 9.922 1.00 0.00 C ATOM 856 O ASP A 59 9.508 20.639 9.901 1.00 0.00 O ATOM 857 CB ASP A 59 10.750 23.395 8.810 1.00 0.00 C ATOM 858 CG ASP A 59 10.902 24.226 10.069 1.00 0.00 C ATOM 859 OD1 ASP A 59 10.341 25.341 10.115 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.581 23.761 11.008 1.00 0.00 O ATOM 0 H ASP A 59 8.652 24.692 8.739 1.00 0.00 H new ATOM 0 HA ASP A 59 9.342 22.114 7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.527 22.631 8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.902 24.031 7.938 1.00 0.00 H new ATOM 865 N LYS A 60 8.571 22.379 10.976 1.00 0.00 N ATOM 866 CA LYS A 60 8.301 21.623 12.193 1.00 0.00 C ATOM 867 C LYS A 60 7.219 20.574 11.954 1.00 0.00 C ATOM 868 O LYS A 60 7.097 19.612 12.711 1.00 0.00 O ATOM 869 CB LYS A 60 7.871 22.567 13.319 1.00 0.00 C ATOM 870 CG LYS A 60 9.014 23.378 13.903 1.00 0.00 C ATOM 871 CD LYS A 60 9.294 24.623 13.078 1.00 0.00 C ATOM 872 CE LYS A 60 10.336 25.510 13.742 1.00 0.00 C ATOM 873 NZ LYS A 60 10.636 26.719 12.926 1.00 0.00 N ATOM 0 H LYS A 60 8.275 23.354 11.011 1.00 0.00 H new ATOM 0 HA LYS A 60 9.219 21.112 12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.110 23.249 12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.408 21.983 14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.772 23.665 14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.912 22.762 13.949 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.641 24.333 12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.370 25.185 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.980 25.815 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.252 24.940 13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.584 27.073 13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.603 26.473 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.931 27.457 13.126 1.00 0.00 H new ATOM 887 N ALA A 61 6.439 20.767 10.896 1.00 0.00 N ATOM 888 CA ALA A 61 5.371 19.835 10.555 1.00 0.00 C ATOM 889 C ALA A 61 5.861 18.769 9.581 1.00 0.00 C ATOM 890 O ALA A 61 5.793 17.574 9.866 1.00 0.00 O ATOM 891 CB ALA A 61 4.184 20.585 9.967 1.00 0.00 C ATOM 0 H ALA A 61 6.526 21.560 10.260 1.00 0.00 H new ATOM 0 HA ALA A 61 5.054 19.334 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.394 19.877 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.810 21.303 10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.497 21.112 9.066 1.00 0.00 H new ATOM 897 N LYS A 62 6.355 19.210 8.429 1.00 0.00 N ATOM 898 CA LYS A 62 6.858 18.295 7.411 1.00 0.00 C ATOM 899 C LYS A 62 7.575 17.110 8.051 1.00 0.00 C ATOM 900 O LYS A 62 7.235 15.956 7.794 1.00 0.00 O ATOM 901 CB LYS A 62 7.810 19.028 6.462 1.00 0.00 C ATOM 902 CG LYS A 62 7.134 20.113 5.642 1.00 0.00 C ATOM 903 CD LYS A 62 8.129 21.165 5.182 1.00 0.00 C ATOM 904 CE LYS A 62 7.683 21.824 3.885 1.00 0.00 C ATOM 905 NZ LYS A 62 8.698 22.788 3.376 1.00 0.00 N ATOM 0 H LYS A 62 6.418 20.196 8.177 1.00 0.00 H new ATOM 0 HA LYS A 62 6.007 17.919 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.618 19.473 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.265 18.304 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.649 19.666 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.352 20.586 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.243 21.923 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.107 20.705 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.500 21.057 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.738 22.343 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.357 23.216 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.854 23.534 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.592 22.288 3.197 1.00 0.00 H new ATOM 919 N GLN A 63 8.566 17.405 8.886 1.00 0.00 N ATOM 920 CA GLN A 63 9.329 16.363 9.563 1.00 0.00 C ATOM 921 C GLN A 63 8.402 15.397 10.293 1.00 0.00 C ATOM 922 O GLN A 63 8.531 14.179 10.163 1.00 0.00 O ATOM 923 CB GLN A 63 10.317 16.985 10.551 1.00 0.00 C ATOM 924 CG GLN A 63 11.437 17.765 9.881 1.00 0.00 C ATOM 925 CD GLN A 63 12.615 16.888 9.504 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.558 16.138 8.530 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.692 16.978 10.276 1.00 0.00 N ATOM 0 H GLN A 63 8.859 18.356 9.110 1.00 0.00 H new ATOM 0 HA GLN A 63 9.884 15.805 8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.775 17.649 11.224 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.751 16.195 11.164 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.050 18.252 8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.777 18.554 10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.696 17.613 11.074 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.515 16.412 10.071 1.00 0.00 H new ATOM 936 N SER A 64 7.468 15.947 11.062 1.00 0.00 N ATOM 937 CA SER A 64 6.522 15.134 11.816 1.00 0.00 C ATOM 938 C SER A 64 5.897 14.063 10.928 1.00 0.00 C ATOM 939 O SER A 64 6.010 12.868 11.204 1.00 0.00 O ATOM 940 CB SER A 64 5.426 16.016 12.419 1.00 0.00 C ATOM 941 OG SER A 64 4.907 15.443 13.606 1.00 0.00 O ATOM 0 H SER A 64 7.346 16.953 11.179 1.00 0.00 H new ATOM 0 HA SER A 64 7.066 14.641 12.621 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.829 17.006 12.635 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.623 16.150 11.695 1.00 0.00 H new ATOM 0 HG SER A 64 4.210 16.026 13.973 1.00 0.00 H new ATOM 947 N ILE A 65 5.237 14.500 9.860 1.00 0.00 N ATOM 948 CA ILE A 65 4.595 13.579 8.930 1.00 0.00 C ATOM 949 C ILE A 65 5.598 12.578 8.366 1.00 0.00 C ATOM 950 O ILE A 65 5.395 11.367 8.449 1.00 0.00 O ATOM 951 CB ILE A 65 3.927 14.331 7.764 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.772 15.193 8.279 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.434 13.348 6.713 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.338 16.266 7.306 1.00 0.00 C ATOM 0 H ILE A 65 5.133 15.485 9.618 1.00 0.00 H new ATOM 0 HA ILE A 65 3.830 13.045 9.493 1.00 0.00 H new ATOM 0 HB ILE A 65 4.666 14.986 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.921 14.550 8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.070 15.663 9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.964 13.895 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.277 12.773 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.707 12.670 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.516 16.838 7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.176 16.933 7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.009 15.802 6.376 1.00 0.00 H new ATOM 966 N ARG A 66 6.682 13.093 7.795 1.00 0.00 N ATOM 967 CA ARG A 66 7.718 12.245 7.218 1.00 0.00 C ATOM 968 C ARG A 66 8.046 11.080 8.147 1.00 0.00 C ATOM 969 O ARG A 66 7.938 9.916 7.761 1.00 0.00 O ATOM 970 CB ARG A 66 8.981 13.062 6.942 1.00 0.00 C ATOM 971 CG ARG A 66 8.979 13.746 5.584 1.00 0.00 C ATOM 972 CD ARG A 66 10.111 14.755 5.467 1.00 0.00 C ATOM 973 NE ARG A 66 10.157 15.375 4.146 1.00 0.00 N ATOM 974 CZ ARG A 66 10.992 16.357 3.824 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.846 16.827 4.722 1.00 0.00 N ATOM 976 NH2 ARG A 66 10.974 16.870 2.600 1.00 0.00 N ATOM 0 H ARG A 66 6.866 14.094 7.720 1.00 0.00 H new ATOM 0 HA ARG A 66 7.341 11.843 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.092 13.817 7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.849 12.406 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.075 12.997 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.024 14.249 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.988 15.528 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.061 14.259 5.668 1.00 0.00 H new ATOM 0 HE ARG A 66 9.513 15.036 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.863 16.435 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.486 17.581 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.319 16.510 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.615 17.624 2.354 1.00 0.00 H new ATOM 990 N ALA A 67 8.447 11.401 9.372 1.00 0.00 N ATOM 991 CA ALA A 67 8.790 10.382 10.356 1.00 0.00 C ATOM 992 C ALA A 67 7.790 9.231 10.325 1.00 0.00 C ATOM 993 O ALA A 67 8.175 8.061 10.301 1.00 0.00 O ATOM 994 CB ALA A 67 8.851 10.992 11.749 1.00 0.00 C ATOM 0 H ALA A 67 8.542 12.360 9.707 1.00 0.00 H new ATOM 0 HA ALA A 67 9.772 9.984 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.108 10.219 12.474 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.608 11.776 11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.880 11.418 12.002 1.00 0.00 H new ATOM 1000 N LYS A 68 6.505 9.569 10.325 1.00 0.00 N ATOM 1001 CA LYS A 68 5.449 8.564 10.296 1.00 0.00 C ATOM 1002 C LYS A 68 5.528 7.729 9.022 1.00 0.00 C ATOM 1003 O LYS A 68 5.481 6.499 9.071 1.00 0.00 O ATOM 1004 CB LYS A 68 4.077 9.234 10.395 1.00 0.00 C ATOM 1005 CG LYS A 68 3.585 9.404 11.822 1.00 0.00 C ATOM 1006 CD LYS A 68 4.464 10.365 12.604 1.00 0.00 C ATOM 1007 CE LYS A 68 5.604 9.637 13.300 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.237 10.477 14.354 1.00 0.00 N ATOM 0 H LYS A 68 6.170 10.532 10.345 1.00 0.00 H new ATOM 0 HA LYS A 68 5.587 7.903 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.124 10.212 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.352 8.642 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.559 9.773 11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.570 8.435 12.321 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.870 11.119 11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.861 10.891 13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.228 8.716 13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.355 9.351 12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.009 9.945 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.618 11.344 13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.526 10.729 15.070 1.00 0.00 H new ATOM 1022 N CYS A 69 5.649 8.403 7.884 1.00 0.00 N ATOM 1023 CA CYS A 69 5.735 7.723 6.597 1.00 0.00 C ATOM 1024 C CYS A 69 6.748 6.583 6.652 1.00 0.00 C ATOM 1025 O CYS A 69 6.471 5.470 6.203 1.00 0.00 O ATOM 1026 CB CYS A 69 6.123 8.713 5.498 1.00 0.00 C ATOM 1027 SG CYS A 69 4.775 9.798 4.973 1.00 0.00 S ATOM 0 H CYS A 69 5.690 9.421 7.826 1.00 0.00 H new ATOM 0 HA CYS A 69 4.755 7.304 6.369 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.952 9.326 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.485 8.156 4.634 1.00 0.00 H new ATOM 0 HG CYS A 69 5.201 10.600 4.043 1.00 0.00 H new ATOM 1033 N THR A 70 7.923 6.868 7.203 1.00 0.00 N ATOM 1034 CA THR A 70 8.978 5.869 7.314 1.00 0.00 C ATOM 1035 C THR A 70 8.572 4.743 8.257 1.00 0.00 C ATOM 1036 O THR A 70 8.830 3.570 7.986 1.00 0.00 O ATOM 1037 CB THR A 70 10.294 6.494 7.814 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.709 7.538 6.927 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.388 5.442 7.916 1.00 0.00 C ATOM 0 H THR A 70 8.168 7.784 7.580 1.00 0.00 H new ATOM 0 HA THR A 70 9.135 5.463 6.315 1.00 0.00 H new ATOM 0 HB THR A 70 10.119 6.910 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.545 7.931 7.253 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.308 5.907 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.081 4.664 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.560 5.000 6.935 1.00 0.00 H new ATOM 1047 N GLU A 71 7.935 5.107 9.366 1.00 0.00 N ATOM 1048 CA GLU A 71 7.493 4.125 10.350 1.00 0.00 C ATOM 1049 C GLU A 71 6.472 3.167 9.742 1.00 0.00 C ATOM 1050 O GLU A 71 6.675 1.953 9.730 1.00 0.00 O ATOM 1051 CB GLU A 71 6.889 4.827 11.568 1.00 0.00 C ATOM 1052 CG GLU A 71 6.276 3.872 12.578 1.00 0.00 C ATOM 1053 CD GLU A 71 7.289 2.899 13.149 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.198 3.349 13.878 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.172 1.688 12.867 1.00 0.00 O ATOM 0 H GLU A 71 7.714 6.074 9.605 1.00 0.00 H new ATOM 0 HA GLU A 71 8.362 3.549 10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.664 5.414 12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.124 5.527 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.830 4.445 13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.470 3.314 12.102 1.00 0.00 H new ATOM 1062 N TYR A 72 5.375 3.723 9.240 1.00 0.00 N ATOM 1063 CA TYR A 72 4.320 2.919 8.634 1.00 0.00 C ATOM 1064 C TYR A 72 4.862 2.102 7.464 1.00 0.00 C ATOM 1065 O TYR A 72 4.498 0.940 7.282 1.00 0.00 O ATOM 1066 CB TYR A 72 3.176 3.816 8.158 1.00 0.00 C ATOM 1067 CG TYR A 72 2.570 4.659 9.257 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.294 4.114 10.505 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.273 6.000 9.047 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.740 4.880 11.512 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.720 6.774 10.049 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.455 6.210 11.279 1.00 0.00 C ATOM 1073 OH TYR A 72 0.903 6.977 12.279 1.00 0.00 O ATOM 0 H TYR A 72 5.193 4.727 9.241 1.00 0.00 H new ATOM 0 HA TYR A 72 3.942 2.231 9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.544 4.472 7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.397 3.194 7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.516 3.074 10.691 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.478 6.445 8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.531 4.441 12.476 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.496 7.815 9.870 1.00 0.00 H new ATOM 0 HH TYR A 72 0.765 7.891 11.952 1.00 0.00 H new ATOM 1083 N LEU A 73 5.734 2.719 6.674 1.00 0.00 N ATOM 1084 CA LEU A 73 6.328 2.051 5.522 1.00 0.00 C ATOM 1085 C LEU A 73 7.059 0.781 5.945 1.00 0.00 C ATOM 1086 O LEU A 73 6.952 -0.257 5.291 1.00 0.00 O ATOM 1087 CB LEU A 73 7.295 2.994 4.803 1.00 0.00 C ATOM 1088 CG LEU A 73 6.665 3.970 3.809 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.642 5.083 3.462 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.219 3.239 2.552 1.00 0.00 C ATOM 0 H LEU A 73 6.045 3.681 6.810 1.00 0.00 H new ATOM 0 HA LEU A 73 5.524 1.775 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.836 3.570 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.032 2.391 4.272 1.00 0.00 H new ATOM 0 HG LEU A 73 5.787 4.417 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.176 5.768 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.912 5.626 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.539 4.654 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.773 3.950 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.080 2.764 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.483 2.479 2.815 1.00 0.00 H new ATOM 1102 N ASP A 74 7.800 0.870 7.044 1.00 0.00 N ATOM 1103 CA ASP A 74 8.547 -0.273 7.558 1.00 0.00 C ATOM 1104 C ASP A 74 7.601 -1.344 8.092 1.00 0.00 C ATOM 1105 O ASP A 74 7.815 -2.537 7.878 1.00 0.00 O ATOM 1106 CB ASP A 74 9.508 0.173 8.661 1.00 0.00 C ATOM 1107 CG ASP A 74 10.587 -0.855 8.939 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.352 -2.050 8.664 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.666 -0.464 9.432 1.00 0.00 O ATOM 0 H ASP A 74 7.900 1.722 7.596 1.00 0.00 H new ATOM 0 HA ASP A 74 9.123 -0.699 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.974 1.116 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.945 0.361 9.575 1.00 0.00 H new ATOM 1114 N ARG A 75 6.556 -0.910 8.789 1.00 0.00 N ATOM 1115 CA ARG A 75 5.579 -1.831 9.356 1.00 0.00 C ATOM 1116 C ARG A 75 4.887 -2.633 8.257 1.00 0.00 C ATOM 1117 O ARG A 75 4.871 -3.863 8.289 1.00 0.00 O ATOM 1118 CB ARG A 75 4.539 -1.065 10.176 1.00 0.00 C ATOM 1119 CG ARG A 75 3.412 -1.940 10.699 1.00 0.00 C ATOM 1120 CD ARG A 75 3.937 -3.041 11.608 1.00 0.00 C ATOM 1121 NE ARG A 75 2.960 -3.424 12.624 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.616 -2.645 13.643 1.00 0.00 C ATOM 1123 NH1 ARG A 75 3.165 -1.446 13.781 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.719 -3.065 14.527 1.00 0.00 N ATOM 0 H ARG A 75 6.364 0.074 8.975 1.00 0.00 H new ATOM 0 HA ARG A 75 6.107 -2.524 10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.035 -0.584 11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.116 -0.271 9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.697 -1.326 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.876 -2.384 9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.197 -3.913 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.853 -2.704 12.094 1.00 0.00 H new ATOM 0 HE ARG A 75 2.518 -4.340 12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.854 -1.119 13.103 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.898 -0.850 14.565 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.294 -3.986 14.424 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.455 -2.466 15.310 1.00 0.00 H new ATOM 1138 N ALA A 76 4.315 -1.926 7.287 1.00 0.00 N ATOM 1139 CA ALA A 76 3.623 -2.572 6.179 1.00 0.00 C ATOM 1140 C ALA A 76 4.511 -3.615 5.510 1.00 0.00 C ATOM 1141 O ALA A 76 4.111 -4.767 5.343 1.00 0.00 O ATOM 1142 CB ALA A 76 3.170 -1.533 5.163 1.00 0.00 C ATOM 0 H ALA A 76 4.317 -0.907 7.247 1.00 0.00 H new ATOM 0 HA ALA A 76 2.746 -3.082 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.655 -2.029 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.493 -0.826 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.038 -0.999 4.777 1.00 0.00 H new ATOM 1148 N GLU A 77 5.716 -3.204 5.129 1.00 0.00 N ATOM 1149 CA GLU A 77 6.659 -4.105 4.477 1.00 0.00 C ATOM 1150 C GLU A 77 6.612 -5.493 5.110 1.00 0.00 C ATOM 1151 O GLU A 77 6.440 -6.498 4.419 1.00 0.00 O ATOM 1152 CB GLU A 77 8.079 -3.541 4.561 1.00 0.00 C ATOM 1153 CG GLU A 77 8.435 -2.614 3.411 1.00 0.00 C ATOM 1154 CD GLU A 77 8.797 -3.367 2.146 1.00 0.00 C ATOM 1155 OE1 GLU A 77 7.993 -4.217 1.710 1.00 0.00 O ATOM 1156 OE2 GLU A 77 9.885 -3.105 1.590 1.00 0.00 O ATOM 0 H GLU A 77 6.062 -2.254 5.260 1.00 0.00 H new ATOM 0 HA GLU A 77 6.373 -4.193 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.191 -3.000 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.789 -4.368 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.592 -1.953 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.272 -1.981 3.705 1.00 0.00 H new ATOM 1163 N LYS A 78 6.768 -5.540 6.428 1.00 0.00 N ATOM 1164 CA LYS A 78 6.743 -6.803 7.157 1.00 0.00 C ATOM 1165 C LYS A 78 5.468 -7.582 6.852 1.00 0.00 C ATOM 1166 O LYS A 78 5.521 -8.714 6.367 1.00 0.00 O ATOM 1167 CB LYS A 78 6.851 -6.549 8.662 1.00 0.00 C ATOM 1168 CG LYS A 78 8.273 -6.305 9.138 1.00 0.00 C ATOM 1169 CD LYS A 78 9.086 -7.588 9.145 1.00 0.00 C ATOM 1170 CE LYS A 78 8.826 -8.407 10.400 1.00 0.00 C ATOM 1171 NZ LYS A 78 9.467 -7.801 11.600 1.00 0.00 N ATOM 0 H LYS A 78 6.913 -4.718 7.014 1.00 0.00 H new ATOM 0 HA LYS A 78 7.597 -7.398 6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.237 -5.686 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.440 -7.405 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.754 -5.572 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.254 -5.880 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.839 -8.181 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.147 -7.348 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.752 -8.489 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.205 -9.419 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.489 -8.498 12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.438 -7.512 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.922 -6.968 11.902 1.00 0.00 H new ATOM 1185 N LEU A 79 4.324 -6.971 7.138 1.00 0.00 N ATOM 1186 CA LEU A 79 3.034 -7.607 6.892 1.00 0.00 C ATOM 1187 C LEU A 79 3.064 -8.418 5.601 1.00 0.00 C ATOM 1188 O LEU A 79 2.579 -9.549 5.553 1.00 0.00 O ATOM 1189 CB LEU A 79 1.929 -6.552 6.821 1.00 0.00 C ATOM 1190 CG LEU A 79 1.624 -5.809 8.122 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.656 -4.665 7.869 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.062 -6.766 9.163 1.00 0.00 C ATOM 0 H LEU A 79 4.263 -6.036 7.541 1.00 0.00 H new ATOM 0 HA LEU A 79 2.827 -8.285 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.203 -5.818 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.014 -7.036 6.480 1.00 0.00 H new ATOM 0 HG LEU A 79 2.555 -5.391 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.451 -4.148 8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.097 -3.966 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.275 -5.059 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.851 -6.220 10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.142 -7.213 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.790 -7.551 9.366 1.00 0.00 H new ATOM 1204 N LYS A 80 3.639 -7.834 4.555 1.00 0.00 N ATOM 1205 CA LYS A 80 3.736 -8.503 3.263 1.00 0.00 C ATOM 1206 C LYS A 80 4.407 -9.865 3.404 1.00 0.00 C ATOM 1207 O LYS A 80 3.781 -10.901 3.182 1.00 0.00 O ATOM 1208 CB LYS A 80 4.521 -7.636 2.275 1.00 0.00 C ATOM 1209 CG LYS A 80 3.932 -6.250 2.081 1.00 0.00 C ATOM 1210 CD LYS A 80 4.849 -5.365 1.254 1.00 0.00 C ATOM 1211 CE LYS A 80 4.263 -3.974 1.068 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.010 -3.189 0.046 1.00 0.00 N ATOM 0 H LYS A 80 4.045 -6.899 4.577 1.00 0.00 H new ATOM 0 HA LYS A 80 2.725 -8.653 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.548 -7.539 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.560 -8.143 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.963 -6.331 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.759 -5.788 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.821 -5.289 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.017 -5.823 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.218 -4.057 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.281 -3.442 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.580 -2.247 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.002 -3.087 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.971 -3.683 -0.868 1.00 0.00 H new ATOM 1226 N GLU A 81 5.683 -9.856 3.776 1.00 0.00 N ATOM 1227 CA GLU A 81 6.438 -11.092 3.947 1.00 0.00 C ATOM 1228 C GLU A 81 5.634 -12.113 4.749 1.00 0.00 C ATOM 1229 O GLU A 81 5.758 -13.319 4.538 1.00 0.00 O ATOM 1230 CB GLU A 81 7.769 -10.811 4.648 1.00 0.00 C ATOM 1231 CG GLU A 81 8.706 -9.927 3.842 1.00 0.00 C ATOM 1232 CD GLU A 81 9.548 -10.715 2.858 1.00 0.00 C ATOM 1233 OE1 GLU A 81 9.037 -11.710 2.304 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.719 -10.337 2.642 1.00 0.00 O ATOM 0 H GLU A 81 6.216 -9.007 3.965 1.00 0.00 H new ATOM 0 HA GLU A 81 6.637 -11.506 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.571 -10.335 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.267 -11.758 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.122 -9.183 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.362 -9.384 4.522 1.00 0.00 H new ATOM 1241 N TYR A 82 4.812 -11.619 5.668 1.00 0.00 N ATOM 1242 CA TYR A 82 3.991 -12.487 6.503 1.00 0.00 C ATOM 1243 C TYR A 82 2.737 -12.934 5.757 1.00 0.00 C ATOM 1244 O TYR A 82 2.235 -14.039 5.967 1.00 0.00 O ATOM 1245 CB TYR A 82 3.600 -11.767 7.794 1.00 0.00 C ATOM 1246 CG TYR A 82 2.316 -12.278 8.409 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.082 -11.951 7.861 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.338 -13.090 9.536 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.093 -12.416 8.420 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.169 -13.560 10.101 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.044 -13.220 9.539 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.212 -13.687 10.098 1.00 0.00 O ATOM 0 H TYR A 82 4.697 -10.623 5.853 1.00 0.00 H new ATOM 0 HA TYR A 82 4.579 -13.371 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.407 -11.874 8.518 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.495 -10.702 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.040 -11.323 6.983 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.286 -13.358 9.978 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.044 -12.151 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.204 -14.190 10.978 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.002 -14.240 10.879 1.00 0.00 H new ATOM 1262 N LEU A 83 2.236 -12.067 4.884 1.00 0.00 N ATOM 1263 CA LEU A 83 1.041 -12.371 4.105 1.00 0.00 C ATOM 1264 C LEU A 83 1.336 -13.426 3.043 1.00 0.00 C ATOM 1265 O LEU A 83 0.504 -14.288 2.760 1.00 0.00 O ATOM 1266 CB LEU A 83 0.504 -11.101 3.442 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.174 -10.093 4.372 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.305 -8.741 3.689 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.537 -10.606 4.811 1.00 0.00 C ATOM 0 H LEU A 83 2.639 -11.148 4.698 1.00 0.00 H new ATOM 0 HA LEU A 83 0.286 -12.767 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.331 -10.601 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.210 -11.392 2.671 1.00 0.00 H new ATOM 0 HG LEU A 83 0.448 -9.970 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.789 -8.037 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.685 -8.369 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.905 -8.847 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.005 -9.876 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.168 -10.759 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.417 -11.551 5.341 1.00 0.00 H new ATOM 1281 N LYS A 84 2.528 -13.353 2.460 1.00 0.00 N ATOM 1282 CA LYS A 84 2.936 -14.303 1.432 1.00 0.00 C ATOM 1283 C LYS A 84 3.207 -15.677 2.038 1.00 0.00 C ATOM 1284 O LYS A 84 2.954 -16.703 1.409 1.00 0.00 O ATOM 1285 CB LYS A 84 4.187 -13.797 0.709 1.00 0.00 C ATOM 1286 CG LYS A 84 5.383 -13.604 1.625 1.00 0.00 C ATOM 1287 CD LYS A 84 6.651 -13.328 0.835 1.00 0.00 C ATOM 1288 CE LYS A 84 6.609 -11.958 0.175 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.497 -11.891 -1.019 1.00 0.00 N ATOM 0 H LYS A 84 3.228 -12.646 2.682 1.00 0.00 H new ATOM 0 HA LYS A 84 2.121 -14.396 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.453 -14.504 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.957 -12.850 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.190 -12.776 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.521 -14.495 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.514 -13.387 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.781 -14.096 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.585 -11.728 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.911 -11.198 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.441 -10.942 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.478 -12.085 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.193 -12.599 -1.718 1.00 0.00 H new