USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 37 CYS SG : rot -42:sc= -2.09! USER MOD Set 1.2: A 40 CYS SG : rot -150:sc= -2.56! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.22 K(o=1.2,f=-0.014) USER MOD Single : A 15 GLN : amide:sc= 0.33 X(o=0.33,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.821) USER MOD Single : A 17 SER OG : rot 94:sc= 1.25 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.392 K(o=0.39,f=-4.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -6.08! C(o=-6.1!,f=-8.2!) USER MOD Single : A 38 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.0051) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc=-0.00167 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.0262) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= -0.599 (180deg=-1.34) USER MOD Single : A 58 ASN : amide:sc= -0.792 X(o=-0.79,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.17) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 0.674 (180deg=-1.17!) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 6 55.060 -8.366 17.760 1.00 0.00 N ATOM 98 CA ILE A 6 56.387 -8.687 17.132 1.00 0.00 C ATOM 99 C ILE A 6 56.490 -7.972 15.754 1.00 0.00 C ATOM 100 O ILE A 6 55.765 -8.294 14.839 1.00 0.00 O ATOM 101 CB ILE A 6 56.562 -10.208 16.937 1.00 0.00 C ATOM 102 CG1 ILE A 6 56.262 -10.959 18.247 1.00 0.00 C ATOM 103 CG2 ILE A 6 58.016 -10.489 16.527 1.00 0.00 C ATOM 104 CD1 ILE A 6 55.956 -12.429 17.943 1.00 0.00 C ATOM 0 HA ILE A 6 57.176 -8.337 17.798 1.00 0.00 H new ATOM 0 HB ILE A 6 55.870 -10.549 16.167 1.00 0.00 H new ATOM 0 HG12 ILE A 6 57.115 -10.887 18.922 1.00 0.00 H new ATOM 0 HG13 ILE A 6 55.414 -10.499 18.755 1.00 0.00 H new ATOM 0 HG21 ILE A 6 58.154 -11.561 16.386 1.00 0.00 H new ATOM 0 HG22 ILE A 6 58.238 -9.969 15.595 1.00 0.00 H new ATOM 0 HG23 ILE A 6 58.689 -10.137 17.309 1.00 0.00 H new ATOM 0 HD11 ILE A 6 55.744 -12.956 18.873 1.00 0.00 H new ATOM 0 HD12 ILE A 6 55.089 -12.492 17.285 1.00 0.00 H new ATOM 0 HD13 ILE A 6 56.816 -12.886 17.454 1.00 0.00 H new ATOM 116 N PRO A 7 57.394 -7.023 15.661 1.00 0.00 N ATOM 117 CA PRO A 7 57.617 -6.226 14.447 1.00 0.00 C ATOM 118 C PRO A 7 58.195 -7.058 13.281 1.00 0.00 C ATOM 119 O PRO A 7 59.112 -7.847 13.452 1.00 0.00 O ATOM 120 CB PRO A 7 58.512 -5.082 14.903 1.00 0.00 C ATOM 121 CG PRO A 7 59.156 -5.550 16.207 1.00 0.00 C ATOM 122 CD PRO A 7 58.281 -6.689 16.753 1.00 0.00 C ATOM 0 HA PRO A 7 56.687 -5.848 14.022 1.00 0.00 H new ATOM 0 HB2 PRO A 7 59.269 -4.855 14.153 1.00 0.00 H new ATOM 0 HB3 PRO A 7 57.934 -4.171 15.058 1.00 0.00 H new ATOM 0 HG2 PRO A 7 60.175 -5.896 16.032 1.00 0.00 H new ATOM 0 HG3 PRO A 7 59.216 -4.731 16.924 1.00 0.00 H new ATOM 0 HD2 PRO A 7 58.886 -7.546 17.049 1.00 0.00 H new ATOM 0 HD3 PRO A 7 57.723 -6.373 17.634 1.00 0.00 H new ATOM 130 N GLY A 8 57.613 -6.899 12.103 1.00 0.00 N ATOM 131 CA GLY A 8 58.037 -7.677 10.885 1.00 0.00 C ATOM 132 C GLY A 8 57.309 -9.042 10.842 1.00 0.00 C ATOM 133 O GLY A 8 57.844 -10.000 10.317 1.00 0.00 O ATOM 0 H GLY A 8 56.846 -6.248 11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 8 57.810 -7.107 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 8 59.116 -7.832 10.901 1.00 0.00 H new ATOM 137 N THR A 9 56.103 -9.135 11.410 1.00 0.00 N ATOM 138 CA THR A 9 55.325 -10.434 11.448 1.00 0.00 C ATOM 139 C THR A 9 53.964 -10.245 12.171 1.00 0.00 C ATOM 140 O THR A 9 52.979 -10.793 11.747 1.00 0.00 O ATOM 141 CB THR A 9 56.144 -11.520 12.155 1.00 0.00 C ATOM 142 OG1 THR A 9 55.341 -12.668 12.407 1.00 0.00 O ATOM 143 CG2 THR A 9 56.654 -10.966 13.456 1.00 0.00 C ATOM 0 H THR A 9 55.625 -8.350 11.853 1.00 0.00 H new ATOM 0 HA THR A 9 55.130 -10.743 10.421 1.00 0.00 H new ATOM 0 HB THR A 9 56.977 -11.817 11.517 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.880 -13.352 12.857 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.239 -11.728 13.971 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.282 -10.097 13.260 1.00 0.00 H new ATOM 0 HG23 THR A 9 55.811 -10.671 14.081 1.00 0.00 H new ATOM 151 N ALA A 10 53.907 -9.476 13.253 1.00 0.00 N ATOM 152 CA ALA A 10 52.612 -9.245 14.004 1.00 0.00 C ATOM 153 C ALA A 10 51.706 -8.296 13.200 1.00 0.00 C ATOM 154 O ALA A 10 50.539 -8.576 12.979 1.00 0.00 O ATOM 155 CB ALA A 10 52.933 -8.620 15.350 1.00 0.00 C ATOM 0 H ALA A 10 54.714 -8.994 13.650 1.00 0.00 H new ATOM 0 HA ALA A 10 52.095 -10.194 14.147 1.00 0.00 H new ATOM 0 HB1 ALA A 10 52.008 -8.448 15.901 1.00 0.00 H new ATOM 0 HB2 ALA A 10 53.575 -9.292 15.919 1.00 0.00 H new ATOM 0 HB3 ALA A 10 53.446 -7.670 15.197 1.00 0.00 H new ATOM 161 N GLU A 11 52.267 -7.208 12.716 1.00 0.00 N ATOM 162 CA GLU A 11 51.505 -6.245 11.840 1.00 0.00 C ATOM 163 C GLU A 11 51.085 -7.046 10.586 1.00 0.00 C ATOM 164 O GLU A 11 49.960 -6.959 10.117 1.00 0.00 O ATOM 165 CB GLU A 11 52.408 -5.061 11.409 1.00 0.00 C ATOM 166 CG GLU A 11 53.260 -4.535 12.588 1.00 0.00 C ATOM 167 CD GLU A 11 54.695 -5.076 12.484 1.00 0.00 C ATOM 168 OE1 GLU A 11 54.876 -6.275 12.654 1.00 0.00 O ATOM 169 OE2 GLU A 11 55.590 -4.294 12.232 1.00 0.00 O ATOM 0 H GLU A 11 53.235 -6.941 12.892 1.00 0.00 H new ATOM 0 HA GLU A 11 50.649 -5.833 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 53.064 -5.379 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 11 51.788 -4.254 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 11 53.272 -3.445 12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 11 52.815 -4.842 13.534 1.00 0.00 H new ATOM 176 N GLU A 12 51.997 -7.893 10.108 1.00 0.00 N ATOM 177 CA GLU A 12 51.741 -8.803 8.963 1.00 0.00 C ATOM 178 C GLU A 12 50.608 -9.784 9.378 1.00 0.00 C ATOM 179 O GLU A 12 49.692 -10.011 8.633 1.00 0.00 O ATOM 180 CB GLU A 12 53.097 -9.518 8.675 1.00 0.00 C ATOM 181 CG GLU A 12 52.935 -11.009 8.343 1.00 0.00 C ATOM 182 CD GLU A 12 52.485 -11.214 6.886 1.00 0.00 C ATOM 183 OE1 GLU A 12 51.354 -10.880 6.569 1.00 0.00 O ATOM 184 OE2 GLU A 12 53.267 -11.725 6.108 1.00 0.00 O ATOM 0 H GLU A 12 52.937 -7.977 10.495 1.00 0.00 H new ATOM 0 HA GLU A 12 51.408 -8.297 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 12 53.594 -9.019 7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 12 53.747 -9.414 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 12 53.880 -11.525 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 12 52.205 -11.456 9.017 1.00 0.00 H new ATOM 191 N ASN A 13 50.681 -10.334 10.584 1.00 0.00 N ATOM 192 CA ASN A 13 49.640 -11.292 11.125 1.00 0.00 C ATOM 193 C ASN A 13 48.213 -10.783 10.873 1.00 0.00 C ATOM 194 O ASN A 13 47.342 -11.542 10.491 1.00 0.00 O ATOM 195 CB ASN A 13 49.870 -11.466 12.637 1.00 0.00 C ATOM 196 CG ASN A 13 50.457 -12.832 12.947 1.00 0.00 C ATOM 197 OD1 ASN A 13 49.776 -13.697 13.451 1.00 0.00 O ATOM 198 ND2 ASN A 13 51.699 -13.062 12.672 1.00 0.00 N ATOM 0 H ASN A 13 51.445 -10.151 11.234 1.00 0.00 H new ATOM 0 HA ASN A 13 49.744 -12.246 10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 13 50.542 -10.687 12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 13 48.926 -11.343 13.168 1.00 0.00 H new ATOM 0 HD21 ASN A 13 52.107 -13.974 12.880 1.00 0.00 H new ATOM 0 HD22 ASN A 13 52.271 -12.332 12.247 1.00 0.00 H new ATOM 205 N LEU A 14 47.996 -9.507 11.050 1.00 0.00 N ATOM 206 CA LEU A 14 46.643 -8.892 10.786 1.00 0.00 C ATOM 207 C LEU A 14 46.358 -8.940 9.267 1.00 0.00 C ATOM 208 O LEU A 14 45.300 -9.375 8.847 1.00 0.00 O ATOM 209 CB LEU A 14 46.617 -7.454 11.289 1.00 0.00 C ATOM 210 CG LEU A 14 46.024 -7.465 12.698 1.00 0.00 C ATOM 211 CD1 LEU A 14 47.120 -7.179 13.711 1.00 0.00 C ATOM 212 CD2 LEU A 14 44.933 -6.410 12.801 1.00 0.00 C ATOM 0 H LEU A 14 48.704 -8.847 11.371 1.00 0.00 H new ATOM 0 HA LEU A 14 45.872 -9.452 11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 14 47.623 -7.035 11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 14 46.019 -6.828 10.627 1.00 0.00 H new ATOM 0 HG LEU A 14 45.592 -8.444 12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 14 46.698 -7.187 14.716 1.00 0.00 H new ATOM 0 HD12 LEU A 14 47.893 -7.944 13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 14 47.557 -6.201 13.508 1.00 0.00 H new ATOM 0 HD21 LEU A 14 44.511 -6.419 13.806 1.00 0.00 H new ATOM 0 HD22 LEU A 14 45.357 -5.427 12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 14 44.148 -6.626 12.076 1.00 0.00 H new ATOM 224 N GLN A 15 47.332 -8.544 8.454 1.00 0.00 N ATOM 225 CA GLN A 15 47.197 -8.599 6.950 1.00 0.00 C ATOM 226 C GLN A 15 47.033 -10.077 6.508 1.00 0.00 C ATOM 227 O GLN A 15 46.185 -10.387 5.691 1.00 0.00 O ATOM 228 CB GLN A 15 48.465 -7.983 6.321 1.00 0.00 C ATOM 229 CG GLN A 15 48.442 -8.118 4.785 1.00 0.00 C ATOM 230 CD GLN A 15 49.859 -7.961 4.216 1.00 0.00 C ATOM 231 OE1 GLN A 15 50.083 -7.147 3.350 1.00 0.00 O ATOM 232 NE2 GLN A 15 50.831 -8.712 4.652 1.00 0.00 N ATOM 0 H GLN A 15 48.227 -8.180 8.780 1.00 0.00 H new ATOM 0 HA GLN A 15 46.323 -8.037 6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 15 48.537 -6.931 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 15 49.350 -8.478 6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 15 48.036 -9.090 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 15 47.785 -7.362 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 15 50.654 -9.402 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 15 51.768 -8.610 4.263 1.00 0.00 H new ATOM 241 N LYS A 16 47.827 -10.983 7.069 1.00 0.00 N ATOM 242 CA LYS A 16 47.718 -12.447 6.731 1.00 0.00 C ATOM 243 C LYS A 16 46.319 -12.970 7.146 1.00 0.00 C ATOM 244 O LYS A 16 45.746 -13.801 6.466 1.00 0.00 O ATOM 245 CB LYS A 16 48.819 -13.227 7.476 1.00 0.00 C ATOM 246 CG LYS A 16 49.236 -14.462 6.660 1.00 0.00 C ATOM 247 CD LYS A 16 50.558 -14.183 5.923 1.00 0.00 C ATOM 248 CE LYS A 16 50.277 -13.671 4.502 1.00 0.00 C ATOM 249 NZ LYS A 16 51.025 -12.400 4.270 1.00 0.00 N ATOM 0 H LYS A 16 48.551 -10.761 7.753 1.00 0.00 H new ATOM 0 HA LYS A 16 47.845 -12.588 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 16 49.682 -12.583 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 16 48.457 -13.535 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 16 49.352 -15.322 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 16 48.456 -14.714 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 51.141 -13.445 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 16 51.156 -15.093 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 50.577 -14.420 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 16 49.208 -13.505 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 50.671 -11.941 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 50.888 -11.764 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.038 -12.608 4.160 1.00 0.00 H new ATOM 263 N SER A 17 45.763 -12.452 8.239 1.00 0.00 N ATOM 264 CA SER A 17 44.386 -12.866 8.695 1.00 0.00 C ATOM 265 C SER A 17 43.342 -12.309 7.703 1.00 0.00 C ATOM 266 O SER A 17 42.439 -13.014 7.289 1.00 0.00 O ATOM 267 CB SER A 17 44.096 -12.294 10.096 1.00 0.00 C ATOM 268 OG SER A 17 45.053 -12.778 11.042 1.00 0.00 O ATOM 0 H SER A 17 46.213 -11.756 8.833 1.00 0.00 H new ATOM 0 HA SER A 17 44.334 -13.954 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 17 44.126 -11.205 10.064 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.091 -12.576 10.410 1.00 0.00 H new ATOM 0 HG SER A 17 45.787 -12.134 11.123 1.00 0.00 H new ATOM 274 N SER A 18 43.476 -11.046 7.320 1.00 0.00 N ATOM 275 CA SER A 18 42.520 -10.414 6.348 1.00 0.00 C ATOM 276 C SER A 18 43.251 -9.324 5.534 1.00 0.00 C ATOM 277 O SER A 18 43.554 -8.254 6.043 1.00 0.00 O ATOM 278 CB SER A 18 41.342 -9.793 7.110 1.00 0.00 C ATOM 279 OG SER A 18 40.286 -9.513 6.194 1.00 0.00 O ATOM 0 H SER A 18 44.217 -10.426 7.647 1.00 0.00 H new ATOM 0 HA SER A 18 42.142 -11.177 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 18 40.995 -10.476 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 18 41.659 -8.877 7.609 1.00 0.00 H new ATOM 0 HG SER A 18 39.530 -9.118 6.677 1.00 0.00 H new ATOM 285 N GLY A 19 43.539 -9.597 4.273 1.00 0.00 N ATOM 286 CA GLY A 19 44.253 -8.597 3.401 1.00 0.00 C ATOM 287 C GLY A 19 43.235 -7.814 2.560 1.00 0.00 C ATOM 288 O GLY A 19 43.199 -7.951 1.351 1.00 0.00 O ATOM 0 H GLY A 19 43.308 -10.476 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 19 44.831 -7.910 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 19 44.959 -9.110 2.748 1.00 0.00 H new ATOM 292 N GLY A 20 42.409 -7.002 3.198 1.00 0.00 N ATOM 293 CA GLY A 20 41.370 -6.197 2.456 1.00 0.00 C ATOM 294 C GLY A 20 41.736 -4.705 2.466 1.00 0.00 C ATOM 295 O GLY A 20 41.891 -4.097 1.422 1.00 0.00 O ATOM 0 H GLY A 20 42.411 -6.862 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 20 41.293 -6.551 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 20 40.393 -6.341 2.917 1.00 0.00 H new ATOM 299 N VAL A 21 41.866 -4.119 3.640 1.00 0.00 N ATOM 300 CA VAL A 21 42.219 -2.655 3.749 1.00 0.00 C ATOM 301 C VAL A 21 43.755 -2.490 3.910 1.00 0.00 C ATOM 302 O VAL A 21 44.316 -2.953 4.891 1.00 0.00 O ATOM 303 CB VAL A 21 41.479 -1.992 4.938 1.00 0.00 C ATOM 304 CG1 VAL A 21 40.013 -1.758 4.565 1.00 0.00 C ATOM 305 CG2 VAL A 21 41.531 -2.868 6.195 1.00 0.00 C ATOM 0 H VAL A 21 41.742 -4.594 4.534 1.00 0.00 H new ATOM 0 HA VAL A 21 41.901 -2.156 2.834 1.00 0.00 H new ATOM 0 HB VAL A 21 41.977 -1.046 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 21 39.494 -1.292 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 21 39.959 -1.104 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 21 39.540 -2.712 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 21 41.002 -2.370 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 21 41.059 -3.828 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 21 42.570 -3.029 6.484 1.00 0.00 H new ATOM 315 N PRO A 22 44.405 -1.842 2.937 1.00 0.00 N ATOM 316 CA PRO A 22 45.877 -1.625 2.973 1.00 0.00 C ATOM 317 C PRO A 22 46.310 -0.582 4.019 1.00 0.00 C ATOM 318 O PRO A 22 47.256 -0.805 4.757 1.00 0.00 O ATOM 319 CB PRO A 22 46.220 -1.196 1.541 1.00 0.00 C ATOM 320 CG PRO A 22 44.911 -0.658 0.919 1.00 0.00 C ATOM 321 CD PRO A 22 43.754 -1.275 1.725 1.00 0.00 C ATOM 0 HA PRO A 22 46.413 -2.523 3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 22 46.994 -0.428 1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 22 46.606 -2.038 0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 22 44.879 0.430 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 22 44.840 -0.934 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 22 43.009 -0.524 1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 22 43.239 -2.047 1.153 1.00 0.00 H new ATOM 329 N GLY A 23 45.633 0.533 4.090 1.00 0.00 N ATOM 330 CA GLY A 23 46.011 1.592 5.108 1.00 0.00 C ATOM 331 C GLY A 23 45.145 2.867 5.030 1.00 0.00 C ATOM 332 O GLY A 23 45.623 3.941 5.354 1.00 0.00 O ATOM 0 H GLY A 23 44.837 0.768 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.927 1.168 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.056 1.865 4.964 1.00 0.00 H new ATOM 461 N PRO A 33 51.969 12.549 5.700 1.00 0.00 N ATOM 462 CA PRO A 33 53.197 12.185 6.426 1.00 0.00 C ATOM 463 C PRO A 33 53.188 10.729 6.968 1.00 0.00 C ATOM 464 O PRO A 33 52.349 9.927 6.605 1.00 0.00 O ATOM 465 CB PRO A 33 53.265 13.219 7.551 1.00 0.00 C ATOM 466 CG PRO A 33 51.858 13.752 7.752 1.00 0.00 C ATOM 467 CD PRO A 33 51.084 13.413 6.489 1.00 0.00 C ATOM 0 HA PRO A 33 54.072 12.200 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 33 53.640 12.766 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 33 53.950 14.027 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 33 51.392 13.297 8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 33 51.871 14.829 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 33 50.150 12.904 6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 33 50.823 14.315 5.936 1.00 0.00 H new ATOM 475 N ASN A 34 54.128 10.388 7.845 1.00 0.00 N ATOM 476 CA ASN A 34 54.211 8.990 8.430 1.00 0.00 C ATOM 477 C ASN A 34 53.194 8.778 9.601 1.00 0.00 C ATOM 478 O ASN A 34 53.510 8.151 10.597 1.00 0.00 O ATOM 479 CB ASN A 34 55.663 8.726 8.910 1.00 0.00 C ATOM 480 CG ASN A 34 56.092 9.720 10.001 1.00 0.00 C ATOM 481 OD1 ASN A 34 55.965 10.915 9.851 1.00 0.00 O ATOM 482 ND2 ASN A 34 56.621 9.266 11.088 1.00 0.00 N ATOM 0 H ASN A 34 54.848 11.027 8.182 1.00 0.00 H new ATOM 0 HA ASN A 34 53.943 8.276 7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 55.740 7.709 9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 34 56.345 8.799 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 34 56.929 9.913 11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 34 56.731 8.261 11.221 1.00 0.00 H new ATOM 489 N TYR A 35 51.979 9.286 9.447 1.00 0.00 N ATOM 490 CA TYR A 35 50.865 9.176 10.452 1.00 0.00 C ATOM 491 C TYR A 35 50.750 7.787 11.144 1.00 0.00 C ATOM 492 O TYR A 35 51.324 7.574 12.195 1.00 0.00 O ATOM 493 CB TYR A 35 49.517 9.574 9.771 1.00 0.00 C ATOM 494 CG TYR A 35 49.389 9.252 8.336 1.00 0.00 C ATOM 495 CD1 TYR A 35 50.089 8.225 7.736 1.00 0.00 C ATOM 496 CD2 TYR A 35 48.511 10.016 7.627 1.00 0.00 C ATOM 497 CE1 TYR A 35 49.917 7.970 6.421 1.00 0.00 C ATOM 498 CE2 TYR A 35 48.315 9.778 6.312 1.00 0.00 C ATOM 499 CZ TYR A 35 49.021 8.746 5.672 1.00 0.00 C ATOM 500 OH TYR A 35 48.837 8.499 4.334 1.00 0.00 O ATOM 0 H TYR A 35 51.707 9.802 8.610 1.00 0.00 H new ATOM 0 HA TYR A 35 51.106 9.868 11.259 1.00 0.00 H new ATOM 0 HB2 TYR A 35 48.705 9.081 10.306 1.00 0.00 H new ATOM 0 HB3 TYR A 35 49.375 10.648 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 35 50.774 7.626 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 35 47.971 10.813 8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 35 50.468 7.171 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 35 47.615 10.381 5.753 1.00 0.00 H new ATOM 0 HH TYR A 35 48.180 9.130 3.972 1.00 0.00 H new ATOM 510 N HIS A 36 49.994 6.867 10.580 1.00 0.00 N ATOM 511 CA HIS A 36 49.794 5.484 11.179 1.00 0.00 C ATOM 512 C HIS A 36 51.077 4.598 11.205 1.00 0.00 C ATOM 513 O HIS A 36 50.995 3.424 11.523 1.00 0.00 O ATOM 514 CB HIS A 36 48.627 4.744 10.466 1.00 0.00 C ATOM 515 CG HIS A 36 48.823 4.658 8.975 1.00 0.00 C ATOM 516 ND1 HIS A 36 47.907 4.045 8.138 1.00 0.00 N ATOM 517 CD2 HIS A 36 49.800 5.137 8.167 1.00 0.00 C ATOM 518 CE1 HIS A 36 48.359 4.183 6.878 1.00 0.00 C ATOM 519 NE2 HIS A 36 49.513 4.846 6.843 1.00 0.00 N ATOM 0 H HIS A 36 49.490 7.014 9.705 1.00 0.00 H new ATOM 0 HA HIS A 36 49.539 5.652 12.225 1.00 0.00 H new ATOM 0 HB2 HIS A 36 48.535 3.738 10.876 1.00 0.00 H new ATOM 0 HB3 HIS A 36 47.691 5.261 10.677 1.00 0.00 H new ATOM 0 HD1 HIS A 36 47.048 3.575 8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 36 50.676 5.669 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 36 47.849 3.803 6.005 1.00 0.00 H new ATOM 527 N CYS A 37 52.245 5.151 10.892 1.00 0.00 N ATOM 528 CA CYS A 37 53.559 4.387 10.920 1.00 0.00 C ATOM 529 C CYS A 37 53.754 3.485 9.687 1.00 0.00 C ATOM 530 O CYS A 37 54.814 2.914 9.507 1.00 0.00 O ATOM 531 CB CYS A 37 53.705 3.570 12.219 1.00 0.00 C ATOM 532 SG CYS A 37 55.407 3.698 12.826 1.00 0.00 S ATOM 0 H CYS A 37 52.344 6.127 10.611 1.00 0.00 H new ATOM 0 HA CYS A 37 54.348 5.139 10.891 1.00 0.00 H new ATOM 0 HB2 CYS A 37 53.010 3.939 12.973 1.00 0.00 H new ATOM 0 HB3 CYS A 37 53.451 2.526 12.035 1.00 0.00 H new ATOM 0 HG CYS A 37 56.233 3.595 11.827 1.00 0.00 H new ATOM 538 N GLN A 38 52.789 3.419 8.802 1.00 0.00 N ATOM 539 CA GLN A 38 52.953 2.636 7.543 1.00 0.00 C ATOM 540 C GLN A 38 53.842 3.489 6.635 1.00 0.00 C ATOM 541 O GLN A 38 54.794 3.008 6.074 1.00 0.00 O ATOM 542 CB GLN A 38 51.543 2.349 6.945 1.00 0.00 C ATOM 543 CG GLN A 38 51.394 2.825 5.469 1.00 0.00 C ATOM 544 CD GLN A 38 50.768 1.722 4.621 1.00 0.00 C ATOM 545 OE1 GLN A 38 51.402 1.193 3.739 1.00 0.00 O ATOM 546 NE2 GLN A 38 49.549 1.350 4.847 1.00 0.00 N ATOM 0 H GLN A 38 51.885 3.881 8.902 1.00 0.00 H new ATOM 0 HA GLN A 38 53.423 1.663 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 38 51.345 1.278 6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 38 50.788 2.843 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 38 50.774 3.721 5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 38 52.370 3.094 5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.010 1.794 5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 38 49.128 0.613 4.282 1.00 0.00 H new ATOM 555 N LEU A 39 53.569 4.773 6.550 1.00 0.00 N ATOM 556 CA LEU A 39 54.442 5.669 5.743 1.00 0.00 C ATOM 557 C LEU A 39 55.824 5.775 6.434 1.00 0.00 C ATOM 558 O LEU A 39 56.825 5.955 5.769 1.00 0.00 O ATOM 559 CB LEU A 39 53.726 7.014 5.557 1.00 0.00 C ATOM 560 CG LEU A 39 53.004 6.980 4.196 1.00 0.00 C ATOM 561 CD1 LEU A 39 51.976 5.834 4.152 1.00 0.00 C ATOM 562 CD2 LEU A 39 52.280 8.290 3.970 1.00 0.00 C ATOM 0 H LEU A 39 52.780 5.231 7.006 1.00 0.00 H new ATOM 0 HA LEU A 39 54.627 5.274 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 39 53.012 7.181 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 39 54.442 7.835 5.589 1.00 0.00 H new ATOM 0 HG LEU A 39 53.751 6.822 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 39 51.478 5.829 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 39 52.485 4.882 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 39 51.236 5.979 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 39 51.771 8.263 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 39 51.548 8.443 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 39 52.999 9.109 3.977 1.00 0.00 H new ATOM 574 N CYS A 40 55.892 5.537 7.747 1.00 0.00 N ATOM 575 CA CYS A 40 57.217 5.479 8.448 1.00 0.00 C ATOM 576 C CYS A 40 57.865 4.124 8.071 1.00 0.00 C ATOM 577 O CYS A 40 59.071 4.052 7.903 1.00 0.00 O ATOM 578 CB CYS A 40 57.022 5.656 9.980 1.00 0.00 C ATOM 579 SG CYS A 40 57.342 4.119 10.901 1.00 0.00 S ATOM 0 H CYS A 40 55.082 5.383 8.348 1.00 0.00 H new ATOM 0 HA CYS A 40 57.879 6.289 8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 40 57.690 6.438 10.341 1.00 0.00 H new ATOM 0 HB3 CYS A 40 56.003 5.990 10.178 1.00 0.00 H new ATOM 0 HG CYS A 40 56.609 4.096 11.974 1.00 0.00 H new ATOM 585 N PHE A 41 57.058 3.075 7.836 1.00 0.00 N ATOM 586 CA PHE A 41 57.602 1.777 7.353 1.00 0.00 C ATOM 587 C PHE A 41 58.142 2.063 5.974 1.00 0.00 C ATOM 588 O PHE A 41 59.283 1.767 5.717 1.00 0.00 O ATOM 589 CB PHE A 41 56.451 0.719 7.364 1.00 0.00 C ATOM 590 CG PHE A 41 56.320 -0.135 6.131 1.00 0.00 C ATOM 591 CD1 PHE A 41 56.990 -1.343 6.082 1.00 0.00 C ATOM 592 CD2 PHE A 41 55.416 0.198 5.118 1.00 0.00 C ATOM 593 CE1 PHE A 41 56.786 -2.209 5.031 1.00 0.00 C ATOM 594 CE2 PHE A 41 55.183 -0.682 4.084 1.00 0.00 C ATOM 595 CZ PHE A 41 55.867 -1.894 4.027 1.00 0.00 C ATOM 0 H PHE A 41 56.047 3.090 7.967 1.00 0.00 H new ATOM 0 HA PHE A 41 58.397 1.365 7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 41 56.598 0.062 8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 41 55.507 1.241 7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 41 57.677 -1.609 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 41 54.900 1.146 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 41 57.339 -3.136 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 41 54.467 -0.431 3.315 1.00 0.00 H new ATOM 0 HZ PHE A 41 55.689 -2.583 3.215 1.00 0.00 H new ATOM 605 N LEU A 42 57.364 2.711 5.117 1.00 0.00 N ATOM 606 CA LEU A 42 57.879 3.080 3.769 1.00 0.00 C ATOM 607 C LEU A 42 59.132 3.960 3.934 1.00 0.00 C ATOM 608 O LEU A 42 60.012 3.905 3.113 1.00 0.00 O ATOM 609 CB LEU A 42 56.786 3.831 2.986 1.00 0.00 C ATOM 610 CG LEU A 42 56.192 2.950 1.888 1.00 0.00 C ATOM 611 CD1 LEU A 42 55.489 1.769 2.528 1.00 0.00 C ATOM 612 CD2 LEU A 42 55.180 3.756 1.074 1.00 0.00 C ATOM 0 H LEU A 42 56.402 2.993 5.305 1.00 0.00 H new ATOM 0 HA LEU A 42 58.147 2.182 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 42 55.998 4.147 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 42 57.207 4.734 2.544 1.00 0.00 H new ATOM 0 HG LEU A 42 56.988 2.599 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 42 55.062 1.135 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 42 56.205 1.193 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 42 54.693 2.129 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 42 54.758 3.126 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 42 54.382 4.105 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 42 55.678 4.613 0.620 1.00 0.00 H new ATOM 624 N ARG A 43 59.244 4.733 5.013 1.00 0.00 N ATOM 625 CA ARG A 43 60.477 5.541 5.226 1.00 0.00 C ATOM 626 C ARG A 43 61.674 4.602 5.549 1.00 0.00 C ATOM 627 O ARG A 43 62.809 4.965 5.271 1.00 0.00 O ATOM 628 CB ARG A 43 60.252 6.541 6.379 1.00 0.00 C ATOM 629 CG ARG A 43 61.347 7.619 6.374 1.00 0.00 C ATOM 630 CD ARG A 43 60.941 8.772 5.451 1.00 0.00 C ATOM 631 NE ARG A 43 61.175 8.385 4.017 1.00 0.00 N ATOM 632 CZ ARG A 43 62.364 8.449 3.495 1.00 0.00 C ATOM 633 NH1 ARG A 43 62.763 9.552 2.942 1.00 0.00 N ATOM 634 NH2 ARG A 43 63.139 7.406 3.523 1.00 0.00 N ATOM 0 H ARG A 43 58.533 4.827 5.738 1.00 0.00 H new ATOM 0 HA ARG A 43 60.705 6.098 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 43 59.272 7.008 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.257 6.013 7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 43 61.507 7.991 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 43 62.291 7.189 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 43 59.890 9.019 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.517 9.665 5.695 1.00 0.00 H new ATOM 0 HE ARG A 43 60.391 8.068 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 43 62.145 10.363 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 43 63.695 9.608 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 43 62.814 6.540 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 43 64.072 7.453 3.114 1.00 0.00 H new ATOM 648 N SER A 44 61.449 3.414 6.137 1.00 0.00 N ATOM 649 CA SER A 44 62.612 2.511 6.477 1.00 0.00 C ATOM 650 C SER A 44 62.336 0.993 6.197 1.00 0.00 C ATOM 651 O SER A 44 62.805 0.169 6.954 1.00 0.00 O ATOM 652 CB SER A 44 62.938 2.718 7.970 1.00 0.00 C ATOM 653 OG SER A 44 61.791 2.408 8.767 1.00 0.00 O ATOM 0 H SER A 44 60.529 3.051 6.385 1.00 0.00 H new ATOM 0 HA SER A 44 63.449 2.780 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 44 63.775 2.083 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 44 63.245 3.749 8.145 1.00 0.00 H new ATOM 0 HG SER A 44 62.005 2.540 9.714 1.00 0.00 H new ATOM 659 N LEU A 45 61.611 0.610 5.119 1.00 0.00 N ATOM 660 CA LEU A 45 61.359 -0.875 4.784 1.00 0.00 C ATOM 661 C LEU A 45 62.724 -1.612 4.588 1.00 0.00 C ATOM 662 O LEU A 45 63.169 -1.823 3.461 1.00 0.00 O ATOM 663 CB LEU A 45 60.622 -0.908 3.440 1.00 0.00 C ATOM 664 CG LEU A 45 59.163 -1.190 3.582 1.00 0.00 C ATOM 665 CD1 LEU A 45 58.463 0.129 3.685 1.00 0.00 C ATOM 666 CD2 LEU A 45 58.650 -1.889 2.335 1.00 0.00 C ATOM 0 H LEU A 45 61.186 1.264 4.462 1.00 0.00 H new ATOM 0 HA LEU A 45 60.793 -1.353 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 45 60.754 0.049 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 45 61.073 -1.669 2.803 1.00 0.00 H new ATOM 0 HG LEU A 45 58.986 -1.818 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 57.391 -0.035 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 45 58.834 0.671 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 45 58.654 0.713 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 45 57.585 -2.092 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 45 58.810 -1.249 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 45 59.186 -2.828 2.197 1.00 0.00 H new ATOM 678 N GLY A 46 63.449 -1.898 5.666 1.00 0.00 N ATOM 679 CA GLY A 46 64.841 -2.488 5.545 1.00 0.00 C ATOM 680 C GLY A 46 65.749 -1.521 4.711 1.00 0.00 C ATOM 681 O GLY A 46 66.812 -1.903 4.272 1.00 0.00 O ATOM 0 H GLY A 46 63.134 -1.747 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 46 65.269 -2.642 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 46 64.793 -3.464 5.063 1.00 0.00 H new ATOM 685 N ILE A 47 65.288 -0.277 4.477 1.00 0.00 N ATOM 686 CA ILE A 47 65.971 0.797 3.664 1.00 0.00 C ATOM 687 C ILE A 47 66.311 0.410 2.194 1.00 0.00 C ATOM 688 O ILE A 47 66.360 1.305 1.365 1.00 0.00 O ATOM 689 CB ILE A 47 67.112 1.534 4.402 1.00 0.00 C ATOM 690 CG1 ILE A 47 67.397 0.957 5.814 1.00 0.00 C ATOM 691 CG2 ILE A 47 66.661 3.004 4.537 1.00 0.00 C ATOM 692 CD1 ILE A 47 66.243 1.270 6.781 1.00 0.00 C ATOM 0 H ILE A 47 64.395 0.039 4.856 1.00 0.00 H new ATOM 0 HA ILE A 47 65.188 1.547 3.552 1.00 0.00 H new ATOM 0 HB ILE A 47 68.036 1.421 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 47 67.538 -0.122 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 47 68.325 1.377 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 47 67.432 3.575 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.499 3.427 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 47 65.733 3.049 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 66.468 0.854 7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 47 66.120 2.350 6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 47 65.321 0.828 6.403 1.00 0.00 H new ATOM 704 N ASP A 48 66.411 -0.869 1.809 1.00 0.00 N ATOM 705 CA ASP A 48 66.577 -1.208 0.346 1.00 0.00 C ATOM 706 C ASP A 48 65.256 -0.807 -0.342 1.00 0.00 C ATOM 707 O ASP A 48 65.261 -0.420 -1.496 1.00 0.00 O ATOM 708 CB ASP A 48 66.850 -2.713 0.145 1.00 0.00 C ATOM 709 CG ASP A 48 66.994 -3.016 -1.354 1.00 0.00 C ATOM 710 OD1 ASP A 48 68.077 -2.837 -1.880 1.00 0.00 O ATOM 711 OD2 ASP A 48 66.006 -3.396 -1.963 1.00 0.00 O ATOM 0 H ASP A 48 66.384 -1.670 2.440 1.00 0.00 H new ATOM 0 HA ASP A 48 67.430 -0.677 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 48 67.759 -3.002 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 48 66.035 -3.300 0.568 1.00 0.00 H new ATOM 716 N TYR A 49 64.121 -0.806 0.382 1.00 0.00 N ATOM 717 CA TYR A 49 62.873 -0.328 -0.234 1.00 0.00 C ATOM 718 C TYR A 49 63.012 1.216 -0.471 1.00 0.00 C ATOM 719 O TYR A 49 62.282 1.789 -1.235 1.00 0.00 O ATOM 720 CB TYR A 49 61.638 -0.636 0.644 1.00 0.00 C ATOM 721 CG TYR A 49 60.537 0.256 0.221 1.00 0.00 C ATOM 722 CD1 TYR A 49 59.991 0.096 -1.024 1.00 0.00 C ATOM 723 CD2 TYR A 49 60.185 1.318 1.013 1.00 0.00 C ATOM 724 CE1 TYR A 49 59.075 0.995 -1.480 1.00 0.00 C ATOM 725 CE2 TYR A 49 59.291 2.233 0.581 1.00 0.00 C ATOM 726 CZ TYR A 49 58.707 2.092 -0.684 1.00 0.00 C ATOM 727 OH TYR A 49 57.795 3.017 -1.141 1.00 0.00 O ATOM 0 H TYR A 49 64.042 -1.116 1.351 1.00 0.00 H new ATOM 0 HA TYR A 49 62.717 -0.849 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 49 61.345 -1.680 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 49 61.871 -0.479 1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 49 60.285 -0.739 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 49 60.627 1.424 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.631 0.864 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.027 3.071 1.209 1.00 0.00 H new ATOM 0 HH TYR A 49 57.165 2.581 -1.752 1.00 0.00 H new ATOM 737 N LEU A 50 63.935 1.913 0.149 1.00 0.00 N ATOM 738 CA LEU A 50 64.039 3.381 -0.159 1.00 0.00 C ATOM 739 C LEU A 50 64.951 3.557 -1.349 1.00 0.00 C ATOM 740 O LEU A 50 64.756 4.450 -2.162 1.00 0.00 O ATOM 741 CB LEU A 50 64.257 4.205 1.100 1.00 0.00 C ATOM 742 CG LEU A 50 62.868 4.192 1.814 1.00 0.00 C ATOM 743 CD1 LEU A 50 61.760 4.681 0.841 1.00 0.00 C ATOM 744 CD2 LEU A 50 62.503 2.745 2.135 1.00 0.00 C ATOM 0 H LEU A 50 64.600 1.549 0.831 1.00 0.00 H new ATOM 0 HA LEU A 50 63.101 3.821 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 50 65.033 3.770 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 64.572 5.221 0.861 1.00 0.00 H new ATOM 0 HG LEU A 50 62.932 4.825 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 60.796 4.667 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 50 61.984 5.697 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 50 61.721 4.022 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.535 2.716 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 50 62.452 2.169 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 50 63.262 2.315 2.789 1.00 0.00 H new ATOM 756 N ASP A 51 65.746 2.532 -1.595 1.00 0.00 N ATOM 757 CA ASP A 51 66.432 2.413 -2.858 1.00 0.00 C ATOM 758 C ASP A 51 65.249 2.119 -3.852 1.00 0.00 C ATOM 759 O ASP A 51 65.237 2.641 -4.922 1.00 0.00 O ATOM 760 CB ASP A 51 67.418 1.280 -2.696 1.00 0.00 C ATOM 761 CG ASP A 51 68.603 1.509 -3.637 1.00 0.00 C ATOM 762 OD1 ASP A 51 68.429 1.347 -4.839 1.00 0.00 O ATOM 763 OD2 ASP A 51 69.647 1.901 -3.163 1.00 0.00 O ATOM 0 H ASP A 51 65.929 1.775 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 51 67.008 3.269 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 51 67.763 1.226 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 51 66.937 0.328 -2.921 1.00 0.00 H new ATOM 768 N ALA A 52 64.184 1.383 -3.387 1.00 0.00 N ATOM 769 CA ALA A 52 62.888 1.162 -4.170 1.00 0.00 C ATOM 770 C ALA A 52 62.289 2.535 -4.437 1.00 0.00 C ATOM 771 O ALA A 52 62.023 2.855 -5.586 1.00 0.00 O ATOM 772 CB ALA A 52 61.831 0.357 -3.340 1.00 0.00 C ATOM 0 H ALA A 52 64.186 0.927 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 52 63.120 0.604 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.927 0.223 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.241 -0.619 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.589 0.905 -2.430 1.00 0.00 H new ATOM 778 N SER A 53 62.091 3.368 -3.387 1.00 0.00 N ATOM 779 CA SER A 53 61.536 4.757 -3.626 1.00 0.00 C ATOM 780 C SER A 53 62.301 5.447 -4.794 1.00 0.00 C ATOM 781 O SER A 53 61.720 6.218 -5.547 1.00 0.00 O ATOM 782 CB SER A 53 61.671 5.593 -2.350 1.00 0.00 C ATOM 783 OG SER A 53 60.986 6.833 -2.516 1.00 0.00 O ATOM 0 H SER A 53 62.288 3.138 -2.413 1.00 0.00 H new ATOM 0 HA SER A 53 60.483 4.677 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 53 61.258 5.048 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 53 62.723 5.774 -2.131 1.00 0.00 H new ATOM 0 HG SER A 53 61.072 7.366 -1.698 1.00 0.00 H new ATOM 789 N LEU A 54 63.588 5.144 -4.971 1.00 0.00 N ATOM 790 CA LEU A 54 64.375 5.743 -6.095 1.00 0.00 C ATOM 791 C LEU A 54 65.080 4.653 -6.972 1.00 0.00 C ATOM 792 O LEU A 54 66.194 4.874 -7.433 1.00 0.00 O ATOM 793 CB LEU A 54 65.413 6.712 -5.495 1.00 0.00 C ATOM 794 CG LEU A 54 65.506 7.974 -6.365 1.00 0.00 C ATOM 795 CD1 LEU A 54 64.548 9.038 -5.828 1.00 0.00 C ATOM 796 CD2 LEU A 54 66.934 8.520 -6.329 1.00 0.00 C ATOM 0 H LEU A 54 64.114 4.505 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 54 63.693 6.276 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 54 65.129 6.980 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 54 66.387 6.226 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 54 65.237 7.722 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 54 64.615 9.933 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 54 63.528 8.655 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 54 64.817 9.285 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 54 66.997 9.415 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 54 67.203 8.768 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 54 67.622 7.766 -6.712 1.00 0.00 H new ATOM 808 N ARG A 55 64.459 3.478 -7.226 1.00 0.00 N ATOM 809 CA ARG A 55 65.141 2.416 -8.091 1.00 0.00 C ATOM 810 C ARG A 55 65.483 2.949 -9.506 1.00 0.00 C ATOM 811 O ARG A 55 66.233 2.310 -10.208 1.00 0.00 O ATOM 812 CB ARG A 55 64.259 1.164 -8.252 1.00 0.00 C ATOM 813 CG ARG A 55 64.288 0.316 -6.982 1.00 0.00 C ATOM 814 CD ARG A 55 65.412 -0.724 -7.048 1.00 0.00 C ATOM 815 NE ARG A 55 66.399 -0.419 -5.966 1.00 0.00 N ATOM 816 CZ ARG A 55 66.523 -1.193 -4.915 1.00 0.00 C ATOM 817 NH1 ARG A 55 65.491 -1.471 -4.181 1.00 0.00 N ATOM 818 NH2 ARG A 55 67.689 -1.659 -4.593 1.00 0.00 N ATOM 0 H ARG A 55 63.535 3.223 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 55 66.062 2.156 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 55 63.234 1.461 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 55 64.609 0.573 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 55 64.431 0.959 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 55 63.329 -0.186 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 55 65.008 -1.728 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 55 65.898 -0.697 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 55 66.989 0.409 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 55 64.577 -1.087 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 55 65.593 -2.074 -3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 55 68.506 -1.423 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 55 67.790 -2.261 -3.776 1.00 0.00 H new ATOM 832 N LYS A 56 64.975 4.113 -9.918 1.00 0.00 N ATOM 833 CA LYS A 56 65.323 4.694 -11.276 1.00 0.00 C ATOM 834 C LYS A 56 66.867 4.737 -11.429 1.00 0.00 C ATOM 835 O LYS A 56 67.402 4.386 -12.465 1.00 0.00 O ATOM 836 CB LYS A 56 64.763 6.129 -11.403 1.00 0.00 C ATOM 837 CG LYS A 56 63.249 6.160 -11.113 1.00 0.00 C ATOM 838 CD LYS A 56 62.991 6.907 -9.791 1.00 0.00 C ATOM 839 CE LYS A 56 61.610 6.529 -9.236 1.00 0.00 C ATOM 840 NZ LYS A 56 61.296 7.360 -8.026 1.00 0.00 N ATOM 0 H LYS A 56 64.333 4.683 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 56 64.884 4.069 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 56 65.283 6.789 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 56 64.952 6.509 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 62.722 6.653 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 56 62.860 5.144 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 56 63.765 6.657 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 56 63.044 7.983 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 56 60.848 6.682 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 56 61.591 5.471 -8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 60.265 7.440 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 61.699 6.908 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 61.707 8.309 -8.140 1.00 0.00 H new ATOM 854 N LYS A 57 67.578 5.123 -10.371 1.00 0.00 N ATOM 855 CA LYS A 57 69.084 5.153 -10.403 1.00 0.00 C ATOM 856 C LYS A 57 69.637 3.695 -10.398 1.00 0.00 C ATOM 857 O LYS A 57 70.639 3.414 -11.032 1.00 0.00 O ATOM 858 CB LYS A 57 69.600 6.012 -9.197 1.00 0.00 C ATOM 859 CG LYS A 57 70.343 5.190 -8.109 1.00 0.00 C ATOM 860 CD LYS A 57 69.336 4.461 -7.196 1.00 0.00 C ATOM 861 CE LYS A 57 69.056 5.280 -5.928 1.00 0.00 C ATOM 862 NZ LYS A 57 68.457 4.391 -4.885 1.00 0.00 N ATOM 0 H LYS A 57 67.168 5.419 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 57 69.448 5.622 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 57 70.270 6.785 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 57 68.753 6.521 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 57 71.004 4.464 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 57 70.971 5.851 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 57 68.405 4.291 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 57 69.729 3.482 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 57 69.980 5.723 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 57 68.377 6.102 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 67.658 4.878 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 68.120 3.513 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 69.176 4.163 -4.169 1.00 0.00 H new ATOM 876 N ASN A 58 68.973 2.780 -9.703 1.00 0.00 N ATOM 877 CA ASN A 58 69.419 1.342 -9.649 1.00 0.00 C ATOM 878 C ASN A 58 68.989 0.575 -10.923 1.00 0.00 C ATOM 879 O ASN A 58 69.521 -0.491 -11.187 1.00 0.00 O ATOM 880 CB ASN A 58 68.819 0.695 -8.380 1.00 0.00 C ATOM 881 CG ASN A 58 69.747 -0.369 -7.819 1.00 0.00 C ATOM 882 OD1 ASN A 58 70.036 -1.349 -8.463 1.00 0.00 O ATOM 883 ND2 ASN A 58 70.211 -0.236 -6.625 1.00 0.00 N ATOM 0 H ASN A 58 68.129 2.978 -9.165 1.00 0.00 H new ATOM 0 HA ASN A 58 70.507 1.296 -9.606 1.00 0.00 H new ATOM 0 HB2 ASN A 58 68.642 1.462 -7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.852 0.251 -8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 58 70.817 -0.955 -6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 58 69.972 0.588 -6.074 1.00 0.00 H new ATOM 890 N LYS A 59 68.100 1.126 -11.754 1.00 0.00 N ATOM 891 CA LYS A 59 67.725 0.446 -13.050 1.00 0.00 C ATOM 892 C LYS A 59 69.027 0.198 -13.861 1.00 0.00 C ATOM 893 O LYS A 59 69.154 -0.804 -14.549 1.00 0.00 O ATOM 894 CB LYS A 59 66.764 1.348 -13.852 1.00 0.00 C ATOM 895 CG LYS A 59 65.508 0.560 -14.254 1.00 0.00 C ATOM 896 CD LYS A 59 65.779 -0.247 -15.537 1.00 0.00 C ATOM 897 CE LYS A 59 65.893 -1.744 -15.210 1.00 0.00 C ATOM 898 NZ LYS A 59 67.169 -2.287 -15.775 1.00 0.00 N ATOM 0 H LYS A 59 67.625 2.013 -11.584 1.00 0.00 H new ATOM 0 HA LYS A 59 67.224 -0.501 -12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 59 66.483 2.215 -13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 59 67.266 1.725 -14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 65.217 -0.112 -13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 59 64.675 1.245 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 64.974 -0.084 -16.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 66.699 0.101 -16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 59 65.869 -1.893 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 59 65.041 -2.283 -15.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 67.319 -3.255 -15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 67.112 -2.298 -16.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 67.964 -1.685 -15.479 1.00 0.00 H new ATOM 912 N GLN A 60 70.001 1.091 -13.721 1.00 0.00 N ATOM 913 CA GLN A 60 71.334 0.939 -14.392 1.00 0.00 C ATOM 914 C GLN A 60 72.456 0.838 -13.306 1.00 0.00 C ATOM 915 O GLN A 60 73.593 1.191 -13.559 1.00 0.00 O ATOM 916 CB GLN A 60 71.585 2.153 -15.325 1.00 0.00 C ATOM 917 CG GLN A 60 71.450 3.490 -14.555 1.00 0.00 C ATOM 918 CD GLN A 60 72.782 4.247 -14.557 1.00 0.00 C ATOM 919 OE1 GLN A 60 73.496 4.236 -13.577 1.00 0.00 O ATOM 920 NE2 GLN A 60 73.147 4.918 -15.611 1.00 0.00 N ATOM 0 H GLN A 60 69.915 1.935 -13.154 1.00 0.00 H new ATOM 0 HA GLN A 60 71.345 0.029 -14.992 1.00 0.00 H new ATOM 0 HB2 GLN A 60 72.582 2.080 -15.760 1.00 0.00 H new ATOM 0 HB3 GLN A 60 70.874 2.133 -16.151 1.00 0.00 H new ATOM 0 HG2 GLN A 60 70.675 4.104 -15.014 1.00 0.00 H new ATOM 0 HG3 GLN A 60 71.137 3.296 -13.529 1.00 0.00 H new ATOM 0 HE21 GLN A 60 72.551 4.931 -16.439 1.00 0.00 H new ATOM 0 HE22 GLN A 60 74.029 5.430 -15.609 1.00 0.00 H new ATOM 929 N ARG A 61 72.144 0.342 -12.100 1.00 0.00 N ATOM 930 CA ARG A 61 73.188 0.213 -11.011 1.00 0.00 C ATOM 931 C ARG A 61 74.023 -1.074 -11.154 1.00 0.00 C ATOM 932 O ARG A 61 74.950 -1.268 -10.381 1.00 0.00 O ATOM 933 CB ARG A 61 72.535 0.255 -9.617 1.00 0.00 C ATOM 934 CG ARG A 61 72.626 1.667 -8.941 1.00 0.00 C ATOM 935 CD ARG A 61 73.906 2.429 -9.309 1.00 0.00 C ATOM 936 NE ARG A 61 73.624 3.280 -10.518 1.00 0.00 N ATOM 937 CZ ARG A 61 73.762 4.574 -10.482 1.00 0.00 C ATOM 938 NH1 ARG A 61 74.900 5.104 -10.160 1.00 0.00 N ATOM 939 NH2 ARG A 61 72.758 5.328 -10.800 1.00 0.00 N ATOM 0 H ARG A 61 71.212 0.025 -11.835 1.00 0.00 H new ATOM 0 HA ARG A 61 73.861 1.064 -11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 61 71.487 -0.034 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.016 -0.482 -8.974 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.760 2.260 -9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 61 72.579 1.549 -7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.229 3.051 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.716 1.730 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 61 73.319 2.834 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 61 75.695 4.506 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.001 6.119 -10.134 1.00 0.00 H new ATOM 0 HH21 ARG A 61 71.871 4.907 -11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 61 72.855 6.343 -10.775 1.00 0.00 H new ATOM 953 N LEU A 62 73.748 -1.934 -12.138 1.00 0.00 N ATOM 954 CA LEU A 62 74.581 -3.172 -12.325 1.00 0.00 C ATOM 955 C LEU A 62 76.019 -2.719 -12.646 1.00 0.00 C ATOM 956 O LEU A 62 76.308 -2.266 -13.746 1.00 0.00 O ATOM 957 CB LEU A 62 74.010 -4.033 -13.469 1.00 0.00 C ATOM 958 CG LEU A 62 74.574 -5.459 -13.377 1.00 0.00 C ATOM 959 CD1 LEU A 62 73.799 -6.256 -12.323 1.00 0.00 C ATOM 960 CD2 LEU A 62 74.435 -6.155 -14.733 1.00 0.00 C ATOM 0 H LEU A 62 72.987 -1.822 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 62 74.572 -3.783 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 62 72.922 -4.058 -13.410 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.267 -3.592 -14.432 1.00 0.00 H new ATOM 0 HG LEU A 62 75.626 -5.408 -13.096 1.00 0.00 H new ATOM 0 HD11 LEU A 62 74.203 -7.267 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.895 -5.767 -11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 62 72.747 -6.302 -12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.836 -7.166 -14.666 1.00 0.00 H new ATOM 0 HD22 LEU A 62 73.382 -6.200 -15.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 74.988 -5.595 -15.488 1.00 0.00 H new ATOM 972 N LYS A 63 76.892 -2.780 -11.654 1.00 0.00 N ATOM 973 CA LYS A 63 78.319 -2.304 -11.795 1.00 0.00 C ATOM 974 C LYS A 63 78.354 -0.749 -11.909 1.00 0.00 C ATOM 975 O LYS A 63 79.324 -0.202 -12.406 1.00 0.00 O ATOM 976 CB LYS A 63 79.021 -2.920 -13.038 1.00 0.00 C ATOM 977 CG LYS A 63 78.731 -4.424 -13.175 1.00 0.00 C ATOM 978 CD LYS A 63 78.959 -4.854 -14.635 1.00 0.00 C ATOM 979 CE LYS A 63 77.669 -4.673 -15.458 1.00 0.00 C ATOM 980 NZ LYS A 63 77.581 -3.271 -15.991 1.00 0.00 N ATOM 0 H LYS A 63 76.668 -3.149 -10.730 1.00 0.00 H new ATOM 0 HA LYS A 63 78.857 -2.631 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 63 78.686 -2.403 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 80.097 -2.763 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 63 79.381 -4.994 -12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 63 77.704 -4.637 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 63 79.763 -4.263 -15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 63 79.275 -5.897 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 77.654 -5.384 -16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 63 76.800 -4.888 -14.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 77.135 -3.284 -16.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 77.010 -2.689 -15.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 78.537 -2.868 -16.067 1.00 0.00 H new ATOM 994 N ALA A 64 77.324 -0.024 -11.448 1.00 0.00 N ATOM 995 CA ALA A 64 77.344 1.474 -11.546 1.00 0.00 C ATOM 996 C ALA A 64 77.252 2.116 -10.149 1.00 0.00 C ATOM 997 O ALA A 64 76.814 3.246 -10.018 1.00 0.00 O ATOM 998 CB ALA A 64 76.159 1.926 -12.407 1.00 0.00 C ATOM 0 H ALA A 64 76.488 -0.416 -11.016 1.00 0.00 H new ATOM 0 HA ALA A 64 78.282 1.791 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 64 76.161 3.013 -12.487 1.00 0.00 H new ATOM 0 HB2 ALA A 64 76.244 1.489 -13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 64 75.228 1.598 -11.945 1.00 0.00 H new