USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 629 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 75 ASN : amide:sc= -7.69! C(o=-13!,f=-20!) USER MOD Set 1.2: A 77 THR OG1 : rot 96:sc= -5.51! USER MOD Set 2.1: A 8 CYS SG : rot 153:sc= -3.99 USER MOD Set 2.2: A 10 HIS : no HD1:sc= -3.2! C(o=-24!,f=-27!) USER MOD Set 2.3: A 71 ASN : amide:sc= -6.34! C(o=-24!,f=-23!) USER MOD Set 2.4: A 83 CYS SG : rot 4:sc= -5.07! USER MOD Set 2.5: A 86 CYS SG : rot 76:sc= -5.81! USER MOD Set 3.1: A 61 SER OG : rot -104:sc= 1.3 USER MOD Set 3.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 39 ASN : amide:sc= 0.0838 K(o=-0.98,f=-4.3!) USER MOD Set 4.2: A 56 SER OG : rot -140:sc= -1.06 USER MOD Set 5.1: A 43 CYS SG : rot -159:sc= -1.71 USER MOD Set 5.2: A 45 GLN : amide:sc= -6.32! K(o=-17!,f=-13) USER MOD Set 5.3: A 48 CYS SG : rot 166:sc= 0.472 USER MOD Set 5.4: A 64 HIS : no HE2:sc= -3.5 K(o=-17,f=-14) USER MOD Set 5.5: A 70 HIS : no HD1:sc= -5.77! K(o=-17!,f=-13) USER MOD Set 6.1: A 30 CYS SG : rot -154:sc= -1.22! USER MOD Set 6.2: A 33 CYS SG : rot -148:sc= -0.361 USER MOD Set 6.3: A 53 CYS SG : rot -116:sc= 1.52 USER MOD Set 6.4: A 60 HIS : no HE2:sc= -3.76! K(o=-3.8!,f=-1.6) USER MOD Set 7.1: A 31 GLN : amide:sc= -6.71! C(o=-7!,f=-6.2!) USER MOD Set 7.2: A 32 SER OG : rot 122:sc= -0.294! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -2.35! (180deg=-2.83!) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -3.7! (180deg=-5!) USER MOD Single : A 26 SER OG : rot -50:sc= -0.778 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 36 THR OG1 : rot -97:sc= -0.801! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.723 USER MOD Single : A 66 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.89) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.31 (180deg=-1) USER MOD Single : A 69 LYS NZ :NH3+ -128:sc= 1.07 (180deg=0.59) USER MOD Single : A 78 THR OG1 : rot -110:sc= 0.00795 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.719 0.925 4.621 1.00 0.00 N ATOM 85 CA LEU A 7 12.688 0.229 3.303 1.00 0.00 C ATOM 86 C LEU A 7 12.401 -1.262 3.533 1.00 0.00 C ATOM 87 O LEU A 7 13.180 -1.969 4.140 1.00 0.00 O ATOM 88 CB LEU A 7 14.050 0.443 2.611 1.00 0.00 C ATOM 89 CG LEU A 7 14.237 -0.486 1.397 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.609 -1.910 1.846 1.00 0.00 C ATOM 91 CD2 LEU A 7 12.951 -0.524 0.565 1.00 0.00 C ATOM 0 HA LEU A 7 11.903 0.629 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.133 1.481 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.852 0.267 3.328 1.00 0.00 H new ATOM 0 HG LEU A 7 15.052 -0.093 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.735 -2.546 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.540 -1.882 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.815 -2.312 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.091 -1.183 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.131 -0.897 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.714 0.481 0.215 1.00 0.00 H new ATOM 103 N CYS A 8 11.272 -1.739 3.063 1.00 0.00 N ATOM 104 CA CYS A 8 10.917 -3.180 3.261 1.00 0.00 C ATOM 105 C CYS A 8 11.513 -4.027 2.129 1.00 0.00 C ATOM 106 O CYS A 8 11.815 -3.535 1.061 1.00 0.00 O ATOM 107 CB CYS A 8 9.381 -3.344 3.284 1.00 0.00 C ATOM 108 SG CYS A 8 8.866 -4.650 2.121 1.00 0.00 S ATOM 0 H CYS A 8 10.581 -1.191 2.550 1.00 0.00 H new ATOM 0 HA CYS A 8 11.327 -3.518 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.050 -3.594 4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.904 -2.401 3.017 1.00 0.00 H new ATOM 0 HG CYS A 8 7.748 -5.176 2.526 1.00 0.00 H new ATOM 113 N PRO A 9 11.670 -5.301 2.371 1.00 0.00 N ATOM 114 CA PRO A 9 12.231 -6.274 1.375 1.00 0.00 C ATOM 115 C PRO A 9 11.388 -6.354 0.095 1.00 0.00 C ATOM 116 O PRO A 9 11.863 -6.109 -0.996 1.00 0.00 O ATOM 117 CB PRO A 9 12.173 -7.618 2.123 1.00 0.00 C ATOM 118 CG PRO A 9 11.145 -7.413 3.183 1.00 0.00 C ATOM 119 CD PRO A 9 11.327 -5.974 3.629 1.00 0.00 C ATOM 0 HA PRO A 9 13.230 -5.986 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.896 -8.433 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.141 -7.874 2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.140 -7.583 2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.289 -8.105 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.419 -5.568 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.118 -5.875 4.373 1.00 0.00 H new ATOM 127 N HIS A 10 10.140 -6.712 0.230 1.00 0.00 N ATOM 128 CA HIS A 10 9.249 -6.832 -0.966 1.00 0.00 C ATOM 129 C HIS A 10 8.981 -5.445 -1.545 1.00 0.00 C ATOM 130 O HIS A 10 8.376 -5.298 -2.587 1.00 0.00 O ATOM 131 CB HIS A 10 7.921 -7.496 -0.564 1.00 0.00 C ATOM 132 CG HIS A 10 8.184 -8.533 0.490 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.234 -8.227 1.849 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.418 -9.883 0.396 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.491 -9.380 2.502 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.610 -10.409 1.664 1.00 0.00 N ATOM 0 H HIS A 10 9.694 -6.928 1.122 1.00 0.00 H new ATOM 0 HA HIS A 10 9.739 -7.448 -1.720 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.226 -6.746 -0.187 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.453 -7.956 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.448 -10.448 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.588 -9.459 3.575 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.802 -11.381 1.905 1.00 0.00 H new ATOM 144 N LEU A 11 9.430 -4.428 -0.871 1.00 0.00 N ATOM 145 CA LEU A 11 9.212 -3.042 -1.366 1.00 0.00 C ATOM 146 C LEU A 11 9.967 -2.846 -2.683 1.00 0.00 C ATOM 147 O LEU A 11 9.614 -2.013 -3.494 1.00 0.00 O ATOM 148 CB LEU A 11 9.733 -2.066 -0.312 1.00 0.00 C ATOM 149 CG LEU A 11 9.232 -0.643 -0.605 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.322 0.199 0.671 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.080 0.010 -1.713 1.00 0.00 C ATOM 0 H LEU A 11 9.943 -4.496 0.008 1.00 0.00 H new ATOM 0 HA LEU A 11 8.151 -2.864 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.401 -2.379 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.823 -2.080 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 11 8.197 -0.696 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.967 1.209 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.705 -0.252 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.358 0.240 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.711 1.017 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.121 0.060 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.009 -0.585 -2.624 1.00 0.00 H new ATOM 163 N ASP A 12 11.000 -3.609 -2.904 1.00 0.00 N ATOM 164 CA ASP A 12 11.775 -3.469 -4.171 1.00 0.00 C ATOM 165 C ASP A 12 11.140 -4.345 -5.254 1.00 0.00 C ATOM 166 O ASP A 12 11.341 -4.137 -6.433 1.00 0.00 O ATOM 167 CB ASP A 12 13.214 -3.925 -3.933 1.00 0.00 C ATOM 168 CG ASP A 12 14.018 -3.776 -5.225 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.937 -2.722 -5.833 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.704 -4.720 -5.585 1.00 0.00 O ATOM 0 H ASP A 12 11.343 -4.324 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 12 11.767 -2.427 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.668 -3.331 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.227 -4.963 -3.602 1.00 0.00 H new ATOM 175 N SER A 13 10.383 -5.330 -4.858 1.00 0.00 N ATOM 176 CA SER A 13 9.740 -6.230 -5.858 1.00 0.00 C ATOM 177 C SER A 13 8.473 -5.575 -6.418 1.00 0.00 C ATOM 178 O SER A 13 8.002 -5.928 -7.481 1.00 0.00 O ATOM 179 CB SER A 13 9.373 -7.551 -5.182 1.00 0.00 C ATOM 180 OG SER A 13 8.981 -8.493 -6.172 1.00 0.00 O ATOM 0 H SER A 13 10.181 -5.552 -3.883 1.00 0.00 H new ATOM 0 HA SER A 13 10.436 -6.413 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.224 -7.932 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.562 -7.396 -4.470 1.00 0.00 H new ATOM 0 HG SER A 13 8.747 -9.342 -5.741 1.00 0.00 H new ATOM 186 N ILE A 14 7.913 -4.630 -5.713 1.00 0.00 N ATOM 187 CA ILE A 14 6.673 -3.964 -6.209 1.00 0.00 C ATOM 188 C ILE A 14 7.034 -2.838 -7.183 1.00 0.00 C ATOM 189 O ILE A 14 6.175 -2.243 -7.799 1.00 0.00 O ATOM 190 CB ILE A 14 5.916 -3.373 -5.025 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.849 -2.454 -4.234 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.429 -4.504 -4.117 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.028 -1.554 -3.307 1.00 0.00 C ATOM 0 H ILE A 14 8.259 -4.290 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 14 6.054 -4.699 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 14 5.061 -2.802 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.551 -3.049 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.440 -1.845 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.888 -4.083 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.767 -5.163 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.285 -5.073 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.698 -0.902 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.344 -0.948 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.457 -2.171 -2.613 1.00 0.00 H new ATOM 205 N GLY A 15 8.295 -2.533 -7.324 1.00 0.00 N ATOM 206 CA GLY A 15 8.692 -1.438 -8.257 1.00 0.00 C ATOM 207 C GLY A 15 7.990 -0.138 -7.851 1.00 0.00 C ATOM 208 O GLY A 15 7.910 0.195 -6.685 1.00 0.00 O ATOM 0 H GLY A 15 9.065 -2.991 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.773 -1.302 -8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.425 -1.703 -9.280 1.00 0.00 H new ATOM 212 N GLU A 16 7.480 0.601 -8.804 1.00 0.00 N ATOM 213 CA GLU A 16 6.784 1.882 -8.473 1.00 0.00 C ATOM 214 C GLU A 16 5.545 2.039 -9.359 1.00 0.00 C ATOM 215 O GLU A 16 5.636 2.427 -10.507 1.00 0.00 O ATOM 216 CB GLU A 16 7.739 3.059 -8.712 1.00 0.00 C ATOM 217 CG GLU A 16 6.976 4.391 -8.634 1.00 0.00 C ATOM 218 CD GLU A 16 6.031 4.383 -7.429 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.480 4.025 -6.352 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.876 4.733 -7.604 1.00 0.00 O ATOM 0 H GLU A 16 7.516 0.372 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 16 6.479 1.868 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.537 3.045 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.212 2.960 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.680 5.219 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.408 4.549 -9.551 1.00 0.00 H new ATOM 227 N VAL A 17 4.386 1.745 -8.833 1.00 0.00 N ATOM 228 CA VAL A 17 3.143 1.885 -9.642 1.00 0.00 C ATOM 229 C VAL A 17 2.953 3.362 -10.004 1.00 0.00 C ATOM 230 O VAL A 17 3.743 4.203 -9.626 1.00 0.00 O ATOM 231 CB VAL A 17 1.948 1.379 -8.821 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.673 2.345 -7.666 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.701 1.276 -9.709 1.00 0.00 C ATOM 0 H VAL A 17 4.247 1.414 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 17 3.217 1.297 -10.557 1.00 0.00 H new ATOM 0 HB VAL A 17 2.185 0.392 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.825 1.984 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.553 2.406 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.446 3.334 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.140 0.916 -9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.463 2.258 -10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.893 0.580 -10.526 1.00 0.00 H new ATOM 243 N THR A 18 1.921 3.692 -10.733 1.00 0.00 N ATOM 244 CA THR A 18 1.710 5.118 -11.108 1.00 0.00 C ATOM 245 C THR A 18 1.433 5.939 -9.851 1.00 0.00 C ATOM 246 O THR A 18 0.589 5.603 -9.048 1.00 0.00 O ATOM 247 CB THR A 18 0.514 5.217 -12.071 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.107 3.944 -12.178 1.00 0.00 O ATOM 249 CG2 THR A 18 0.994 5.664 -13.454 1.00 0.00 C ATOM 0 H THR A 18 1.219 3.040 -11.083 1.00 0.00 H new ATOM 0 HA THR A 18 2.603 5.506 -11.599 1.00 0.00 H new ATOM 0 HB THR A 18 -0.199 5.946 -11.686 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.871 4.003 -12.789 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.142 5.732 -14.130 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.473 6.640 -13.375 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.709 4.939 -13.843 1.00 0.00 H new ATOM 257 N LYS A 19 2.121 7.033 -9.693 1.00 0.00 N ATOM 258 CA LYS A 19 1.878 7.900 -8.509 1.00 0.00 C ATOM 259 C LYS A 19 0.396 8.240 -8.492 1.00 0.00 C ATOM 260 O LYS A 19 -0.323 7.907 -7.573 1.00 0.00 O ATOM 261 CB LYS A 19 2.699 9.184 -8.645 1.00 0.00 C ATOM 262 CG LYS A 19 2.829 9.558 -10.135 1.00 0.00 C ATOM 263 CD LYS A 19 4.301 9.492 -10.568 1.00 0.00 C ATOM 264 CE LYS A 19 4.765 8.029 -10.603 1.00 0.00 C ATOM 265 NZ LYS A 19 4.203 7.359 -11.809 1.00 0.00 N ATOM 0 H LYS A 19 2.842 7.365 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 19 2.168 7.394 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.219 9.995 -8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.687 9.044 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.232 8.878 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.437 10.561 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.421 9.945 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.920 10.063 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.854 7.982 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.439 7.511 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.373 6.335 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.180 7.538 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.664 7.736 -12.662 1.00 0.00 H new ATOM 279 N GLU A 20 -0.068 8.880 -9.531 1.00 0.00 N ATOM 280 CA GLU A 20 -1.503 9.222 -9.624 1.00 0.00 C ATOM 281 C GLU A 20 -2.309 8.022 -9.145 1.00 0.00 C ATOM 282 O GLU A 20 -3.304 8.155 -8.470 1.00 0.00 O ATOM 283 CB GLU A 20 -1.845 9.544 -11.075 1.00 0.00 C ATOM 284 CG GLU A 20 -3.361 9.493 -11.290 1.00 0.00 C ATOM 285 CD GLU A 20 -3.671 9.646 -12.780 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.651 8.643 -13.475 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.923 10.762 -13.202 1.00 0.00 O ATOM 0 H GLU A 20 0.498 9.181 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.736 10.090 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.468 10.533 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.353 8.832 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.760 8.548 -10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.846 10.288 -10.723 1.00 0.00 H new ATOM 294 N ASP A 21 -1.868 6.843 -9.473 1.00 0.00 N ATOM 295 CA ASP A 21 -2.604 5.635 -9.009 1.00 0.00 C ATOM 296 C ASP A 21 -2.828 5.777 -7.507 1.00 0.00 C ATOM 297 O ASP A 21 -3.897 5.511 -6.995 1.00 0.00 O ATOM 298 CB ASP A 21 -1.786 4.369 -9.305 1.00 0.00 C ATOM 299 CG ASP A 21 -2.722 3.162 -9.394 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.871 3.298 -9.004 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.276 2.123 -9.851 1.00 0.00 O ATOM 0 H ASP A 21 -1.038 6.662 -10.037 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.558 5.548 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.239 4.488 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.046 4.211 -8.521 1.00 0.00 H new ATOM 306 N LEU A 22 -1.831 6.234 -6.803 1.00 0.00 N ATOM 307 CA LEU A 22 -1.983 6.433 -5.337 1.00 0.00 C ATOM 308 C LEU A 22 -2.903 7.625 -5.113 1.00 0.00 C ATOM 309 O LEU A 22 -3.508 7.781 -4.072 1.00 0.00 O ATOM 310 CB LEU A 22 -0.616 6.705 -4.702 1.00 0.00 C ATOM 311 CG LEU A 22 0.442 5.819 -5.362 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.773 5.982 -4.626 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.001 4.357 -5.291 1.00 0.00 C ATOM 0 H LEU A 22 -0.916 6.479 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.405 5.539 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.351 7.756 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.655 6.506 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 22 0.563 6.113 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.528 5.351 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.090 7.024 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.651 5.687 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.753 3.725 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.121 4.063 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.951 4.239 -5.813 1.00 0.00 H new ATOM 325 N LEU A 23 -3.008 8.462 -6.100 1.00 0.00 N ATOM 326 CA LEU A 23 -3.880 9.655 -5.989 1.00 0.00 C ATOM 327 C LEU A 23 -5.331 9.232 -6.234 1.00 0.00 C ATOM 328 O LEU A 23 -6.192 9.482 -5.414 1.00 0.00 O ATOM 329 CB LEU A 23 -3.411 10.682 -7.025 1.00 0.00 C ATOM 330 CG LEU A 23 -1.911 10.968 -6.812 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.483 12.162 -7.680 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.643 11.299 -5.336 1.00 0.00 C ATOM 0 H LEU A 23 -2.520 8.368 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.822 10.103 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.582 10.304 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.986 11.603 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.341 10.083 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.422 12.361 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.661 11.931 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.062 13.042 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.581 11.500 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.219 12.179 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.938 10.454 -4.714 1.00 0.00 H new ATOM 344 N LEU A 24 -5.624 8.565 -7.322 1.00 0.00 N ATOM 345 CA LEU A 24 -7.029 8.125 -7.520 1.00 0.00 C ATOM 346 C LEU A 24 -7.358 7.140 -6.418 1.00 0.00 C ATOM 347 O LEU A 24 -8.396 7.219 -5.814 1.00 0.00 O ATOM 348 CB LEU A 24 -7.239 7.465 -8.888 1.00 0.00 C ATOM 349 CG LEU A 24 -6.404 6.181 -9.025 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.266 4.955 -8.699 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.906 6.056 -10.469 1.00 0.00 C ATOM 0 H LEU A 24 -4.968 8.314 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.685 8.995 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.295 7.230 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.965 8.165 -9.677 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.562 6.231 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.665 4.051 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.637 5.033 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.109 4.909 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.313 5.147 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.759 6.011 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.291 6.921 -10.718 1.00 0.00 H new ATOM 363 N LYS A 25 -6.469 6.226 -6.118 1.00 0.00 N ATOM 364 CA LYS A 25 -6.754 5.269 -5.016 1.00 0.00 C ATOM 365 C LYS A 25 -7.238 6.090 -3.820 1.00 0.00 C ATOM 366 O LYS A 25 -8.226 5.776 -3.187 1.00 0.00 O ATOM 367 CB LYS A 25 -5.477 4.500 -4.661 1.00 0.00 C ATOM 368 CG LYS A 25 -5.236 3.399 -5.704 1.00 0.00 C ATOM 369 CD LYS A 25 -3.779 2.922 -5.639 1.00 0.00 C ATOM 370 CE LYS A 25 -3.615 1.631 -6.455 1.00 0.00 C ATOM 371 NZ LYS A 25 -3.365 0.489 -5.531 1.00 0.00 N ATOM 0 H LYS A 25 -5.570 6.105 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.512 4.543 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.626 5.181 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.568 4.061 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.910 2.561 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.459 3.777 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.116 3.695 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.490 2.747 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.512 1.445 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.787 1.734 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.821 -0.246 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.826 0.821 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.273 0.093 -5.214 1.00 0.00 H new ATOM 385 N SER A 26 -6.556 7.168 -3.541 1.00 0.00 N ATOM 386 CA SER A 26 -6.963 8.063 -2.427 1.00 0.00 C ATOM 387 C SER A 26 -8.286 8.743 -2.808 1.00 0.00 C ATOM 388 O SER A 26 -8.707 9.694 -2.179 1.00 0.00 O ATOM 389 CB SER A 26 -5.883 9.138 -2.234 1.00 0.00 C ATOM 390 OG SER A 26 -5.939 9.627 -0.900 1.00 0.00 O ATOM 0 H SER A 26 -5.723 7.468 -4.047 1.00 0.00 H new ATOM 0 HA SER A 26 -7.085 7.493 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.897 8.720 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.036 9.955 -2.940 1.00 0.00 H new ATOM 0 HG SER A 26 -6.863 9.866 -0.678 1.00 0.00 H new ATOM 396 N LYS A 27 -8.923 8.288 -3.858 1.00 0.00 N ATOM 397 CA LYS A 27 -10.189 8.942 -4.299 1.00 0.00 C ATOM 398 C LYS A 27 -11.126 9.143 -3.104 1.00 0.00 C ATOM 399 O LYS A 27 -11.622 10.232 -2.891 1.00 0.00 O ATOM 400 CB LYS A 27 -10.888 8.109 -5.389 1.00 0.00 C ATOM 401 CG LYS A 27 -10.728 6.602 -5.125 1.00 0.00 C ATOM 402 CD LYS A 27 -12.019 5.874 -5.505 1.00 0.00 C ATOM 403 CE LYS A 27 -12.235 5.996 -7.015 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.474 5.264 -7.402 1.00 0.00 N ATOM 0 H LYS A 27 -8.622 7.496 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.940 9.916 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.947 8.365 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.469 8.357 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.893 6.208 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.497 6.429 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.958 4.824 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.865 6.303 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.317 7.046 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.377 5.588 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.620 5.347 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.379 4.260 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.289 5.673 -6.902 1.00 0.00 H new ATOM 418 N GLY A 28 -11.369 8.132 -2.306 1.00 0.00 N ATOM 419 CA GLY A 28 -12.263 8.340 -1.135 1.00 0.00 C ATOM 420 C GLY A 28 -13.130 7.115 -0.888 1.00 0.00 C ATOM 421 O GLY A 28 -14.025 7.150 -0.073 1.00 0.00 O ATOM 0 H GLY A 28 -10.993 7.190 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.665 8.551 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.897 9.210 -1.307 1.00 0.00 H new ATOM 425 N THR A 29 -12.905 6.034 -1.579 1.00 0.00 N ATOM 426 CA THR A 29 -13.762 4.847 -1.336 1.00 0.00 C ATOM 427 C THR A 29 -13.090 3.558 -1.836 1.00 0.00 C ATOM 428 O THR A 29 -12.363 3.555 -2.809 1.00 0.00 O ATOM 429 CB THR A 29 -15.089 5.056 -2.069 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.986 6.202 -2.901 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.229 5.257 -1.064 1.00 0.00 C ATOM 0 H THR A 29 -12.180 5.923 -2.287 1.00 0.00 H new ATOM 0 HA THR A 29 -13.925 4.739 -0.264 1.00 0.00 H new ATOM 0 HB THR A 29 -15.305 4.174 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.833 6.340 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.166 5.404 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.311 4.377 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.022 6.133 -0.449 1.00 0.00 H new ATOM 439 N CYS A 30 -13.376 2.457 -1.191 1.00 0.00 N ATOM 440 CA CYS A 30 -12.814 1.142 -1.632 1.00 0.00 C ATOM 441 C CYS A 30 -13.323 0.875 -3.049 1.00 0.00 C ATOM 442 O CYS A 30 -14.437 1.227 -3.383 1.00 0.00 O ATOM 443 CB CYS A 30 -13.308 0.027 -0.697 1.00 0.00 C ATOM 444 SG CYS A 30 -12.582 -1.558 -1.202 1.00 0.00 S ATOM 0 H CYS A 30 -13.980 2.411 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.725 1.165 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -13.032 0.253 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.396 -0.033 -0.729 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.360 -2.530 -0.828 1.00 0.00 H new ATOM 449 N GLN A 31 -12.536 0.273 -3.894 1.00 0.00 N ATOM 450 CA GLN A 31 -13.023 0.021 -5.281 1.00 0.00 C ATOM 451 C GLN A 31 -13.936 -1.206 -5.306 1.00 0.00 C ATOM 452 O GLN A 31 -14.669 -1.419 -6.250 1.00 0.00 O ATOM 453 CB GLN A 31 -11.843 -0.201 -6.231 1.00 0.00 C ATOM 454 CG GLN A 31 -10.873 -1.240 -5.657 1.00 0.00 C ATOM 455 CD GLN A 31 -11.529 -2.623 -5.663 1.00 0.00 C ATOM 456 OE1 GLN A 31 -11.281 -3.428 -4.786 1.00 0.00 O ATOM 457 NE2 GLN A 31 -12.360 -2.936 -6.619 1.00 0.00 N ATOM 0 H GLN A 31 -11.591 -0.052 -3.691 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.585 0.895 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.209 -0.535 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.320 0.741 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.957 -1.260 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.592 -0.965 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.568 -2.261 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.801 -3.856 -6.630 1.00 0.00 H new ATOM 466 N SER A 32 -13.897 -2.015 -4.281 1.00 0.00 N ATOM 467 CA SER A 32 -14.763 -3.231 -4.256 1.00 0.00 C ATOM 468 C SER A 32 -15.813 -3.104 -3.149 1.00 0.00 C ATOM 469 O SER A 32 -16.744 -3.882 -3.080 1.00 0.00 O ATOM 470 CB SER A 32 -13.898 -4.465 -3.997 1.00 0.00 C ATOM 471 OG SER A 32 -13.169 -4.783 -5.176 1.00 0.00 O ATOM 0 H SER A 32 -13.304 -1.887 -3.461 1.00 0.00 H new ATOM 0 HA SER A 32 -15.268 -3.330 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.212 -4.276 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.524 -5.308 -3.704 1.00 0.00 H new ATOM 0 HG SER A 32 -12.209 -4.775 -4.979 1.00 0.00 H new ATOM 477 N CYS A 33 -15.675 -2.134 -2.280 1.00 0.00 N ATOM 478 CA CYS A 33 -16.673 -1.971 -1.178 1.00 0.00 C ATOM 479 C CYS A 33 -17.221 -0.542 -1.164 1.00 0.00 C ATOM 480 O CYS A 33 -18.278 -0.288 -0.624 1.00 0.00 O ATOM 481 CB CYS A 33 -16.008 -2.266 0.170 1.00 0.00 C ATOM 482 SG CYS A 33 -15.194 -3.875 0.105 1.00 0.00 S ATOM 0 H CYS A 33 -14.918 -1.450 -2.285 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.493 -2.669 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.281 -1.489 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.754 -2.257 0.965 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.226 -4.426 1.282 1.00 0.00 H new ATOM 487 N GLY A 34 -16.518 0.399 -1.735 1.00 0.00 N ATOM 488 CA GLY A 34 -17.030 1.800 -1.715 1.00 0.00 C ATOM 489 C GLY A 34 -17.370 2.169 -0.270 1.00 0.00 C ATOM 490 O GLY A 34 -18.517 2.341 0.088 1.00 0.00 O ATOM 0 H GLY A 34 -15.625 0.262 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.281 2.483 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.913 1.890 -2.347 1.00 0.00 H new ATOM 494 N VAL A 35 -16.372 2.253 0.568 1.00 0.00 N ATOM 495 CA VAL A 35 -16.612 2.565 2.009 1.00 0.00 C ATOM 496 C VAL A 35 -16.273 4.025 2.341 1.00 0.00 C ATOM 497 O VAL A 35 -17.058 4.709 2.965 1.00 0.00 O ATOM 498 CB VAL A 35 -15.746 1.632 2.860 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.048 0.177 2.477 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.266 1.936 2.606 1.00 0.00 C ATOM 0 H VAL A 35 -15.393 2.118 0.315 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.670 2.417 2.224 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.967 1.785 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.434 -0.493 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.102 -0.036 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.823 0.024 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.649 1.272 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.039 1.781 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.056 2.971 2.874 1.00 0.00 H new ATOM 510 N THR A 36 -15.118 4.514 1.957 1.00 0.00 N ATOM 511 CA THR A 36 -14.761 5.925 2.292 1.00 0.00 C ATOM 512 C THR A 36 -13.265 6.133 2.042 1.00 0.00 C ATOM 513 O THR A 36 -12.581 5.247 1.579 1.00 0.00 O ATOM 514 CB THR A 36 -15.074 6.212 3.776 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.370 4.996 4.448 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.269 7.168 3.893 1.00 0.00 C ATOM 0 H THR A 36 -14.413 3.999 1.430 1.00 0.00 H new ATOM 0 HA THR A 36 -15.343 6.603 1.668 1.00 0.00 H new ATOM 0 HB THR A 36 -14.202 6.678 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.341 4.874 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.478 7.362 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.035 8.107 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.144 6.716 3.426 1.00 0.00 H new ATOM 524 N GLY A 37 -12.758 7.302 2.340 1.00 0.00 N ATOM 525 CA GLY A 37 -11.310 7.582 2.113 1.00 0.00 C ATOM 526 C GLY A 37 -10.507 7.278 3.371 1.00 0.00 C ATOM 527 O GLY A 37 -9.587 6.485 3.352 1.00 0.00 O ATOM 0 H GLY A 37 -13.289 8.079 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.942 6.978 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.175 8.626 1.831 1.00 0.00 H new ATOM 531 N PRO A 38 -10.833 7.910 4.460 1.00 0.00 N ATOM 532 CA PRO A 38 -10.108 7.690 5.728 1.00 0.00 C ATOM 533 C PRO A 38 -9.997 6.202 6.056 1.00 0.00 C ATOM 534 O PRO A 38 -10.963 5.466 6.020 1.00 0.00 O ATOM 535 CB PRO A 38 -10.936 8.410 6.787 1.00 0.00 C ATOM 536 CG PRO A 38 -11.807 9.382 6.048 1.00 0.00 C ATOM 537 CD PRO A 38 -11.915 8.896 4.596 1.00 0.00 C ATOM 0 HA PRO A 38 -9.086 8.065 5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.539 7.703 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.293 8.927 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.794 9.438 6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.380 10.384 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.889 8.448 4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.794 9.719 3.891 1.00 0.00 H new ATOM 545 N ASN A 39 -8.823 5.770 6.377 1.00 0.00 N ATOM 546 CA ASN A 39 -8.602 4.339 6.719 1.00 0.00 C ATOM 547 C ASN A 39 -8.639 3.468 5.459 1.00 0.00 C ATOM 548 O ASN A 39 -8.907 2.286 5.530 1.00 0.00 O ATOM 549 CB ASN A 39 -9.683 3.862 7.703 1.00 0.00 C ATOM 550 CG ASN A 39 -9.044 3.018 8.809 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.032 2.380 8.596 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.598 2.986 9.992 1.00 0.00 N ATOM 0 H ASN A 39 -7.987 6.353 6.420 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.619 4.246 7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.195 4.720 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.435 3.276 7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.181 2.426 10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.447 3.521 10.172 1.00 0.00 H new ATOM 559 N LEU A 40 -8.355 4.018 4.308 1.00 0.00 N ATOM 560 CA LEU A 40 -8.365 3.172 3.078 1.00 0.00 C ATOM 561 C LEU A 40 -7.014 2.457 2.979 1.00 0.00 C ATOM 562 O LEU A 40 -6.081 2.768 3.689 1.00 0.00 O ATOM 563 CB LEU A 40 -8.576 4.028 1.816 1.00 0.00 C ATOM 564 CG LEU A 40 -10.069 4.262 1.514 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.189 4.871 0.115 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.851 2.940 1.545 1.00 0.00 C ATOM 0 H LEU A 40 -8.120 5.000 4.166 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.185 2.457 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.078 4.989 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.107 3.537 0.963 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.483 4.928 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.240 5.044 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.649 5.817 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.763 4.186 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.902 3.134 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.446 2.260 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.761 2.487 2.532 1.00 0.00 H new ATOM 578 N TRP A 41 -6.907 1.498 2.106 1.00 0.00 N ATOM 579 CA TRP A 41 -5.618 0.751 1.958 1.00 0.00 C ATOM 580 C TRP A 41 -5.553 0.137 0.562 1.00 0.00 C ATOM 581 O TRP A 41 -6.059 -0.942 0.323 1.00 0.00 O ATOM 582 CB TRP A 41 -5.526 -0.374 2.997 1.00 0.00 C ATOM 583 CG TRP A 41 -5.694 0.178 4.377 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.868 0.577 4.907 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.686 0.382 5.413 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.649 1.029 6.196 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.322 0.925 6.555 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.300 0.156 5.473 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.609 1.233 7.714 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.579 0.463 6.641 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.234 1.000 7.758 1.00 0.00 C ATOM 0 H TRP A 41 -7.656 1.194 1.484 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.791 1.445 2.109 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.294 -1.122 2.801 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.562 -0.877 2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.824 0.548 4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.380 1.395 6.806 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.786 -0.256 4.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.118 1.649 8.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.515 0.284 6.677 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.675 1.233 8.652 1.00 0.00 H new ATOM 602 N ALA A 42 -4.947 0.816 -0.368 1.00 0.00 N ATOM 603 CA ALA A 42 -4.864 0.272 -1.747 1.00 0.00 C ATOM 604 C ALA A 42 -3.618 -0.596 -1.913 1.00 0.00 C ATOM 605 O ALA A 42 -2.563 -0.303 -1.387 1.00 0.00 O ATOM 606 CB ALA A 42 -4.796 1.432 -2.735 1.00 0.00 C ATOM 0 H ALA A 42 -4.505 1.725 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.746 -0.340 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.735 1.042 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.690 2.047 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.914 2.037 -2.525 1.00 0.00 H new ATOM 612 N CYS A 43 -3.740 -1.654 -2.665 1.00 0.00 N ATOM 613 CA CYS A 43 -2.575 -2.546 -2.905 1.00 0.00 C ATOM 614 C CYS A 43 -1.473 -1.736 -3.584 1.00 0.00 C ATOM 615 O CYS A 43 -1.741 -0.767 -4.266 1.00 0.00 O ATOM 616 CB CYS A 43 -3.003 -3.691 -3.815 1.00 0.00 C ATOM 617 SG CYS A 43 -1.777 -5.016 -3.748 1.00 0.00 S ATOM 0 H CYS A 43 -4.604 -1.940 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.208 -2.952 -1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.978 -4.069 -3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.110 -3.333 -4.839 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.892 -5.767 -4.803 1.00 0.00 H new ATOM 622 N LEU A 44 -0.236 -2.105 -3.396 1.00 0.00 N ATOM 623 CA LEU A 44 0.868 -1.326 -4.029 1.00 0.00 C ATOM 624 C LEU A 44 1.874 -2.262 -4.699 1.00 0.00 C ATOM 625 O LEU A 44 3.068 -2.103 -4.545 1.00 0.00 O ATOM 626 CB LEU A 44 1.571 -0.496 -2.951 1.00 0.00 C ATOM 627 CG LEU A 44 2.501 0.537 -3.606 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.714 1.804 -3.944 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.632 0.897 -2.640 1.00 0.00 C ATOM 0 H LEU A 44 0.058 -2.905 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 44 0.450 -0.670 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.832 0.010 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.145 -1.149 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 44 2.916 0.110 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.379 2.532 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.907 1.558 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.294 2.226 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.290 1.630 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.211 1.318 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.202 0.000 -2.397 1.00 0.00 H new ATOM 641 N GLN A 45 1.420 -3.227 -5.458 1.00 0.00 N ATOM 642 CA GLN A 45 2.388 -4.133 -6.139 1.00 0.00 C ATOM 643 C GLN A 45 2.671 -3.597 -7.546 1.00 0.00 C ATOM 644 O GLN A 45 1.836 -2.971 -8.167 1.00 0.00 O ATOM 645 CB GLN A 45 1.832 -5.555 -6.238 1.00 0.00 C ATOM 646 CG GLN A 45 1.076 -5.927 -4.954 1.00 0.00 C ATOM 647 CD GLN A 45 1.901 -6.935 -4.149 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.097 -6.768 -2.962 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.401 -7.980 -4.750 1.00 0.00 N ATOM 0 H GLN A 45 0.435 -3.424 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 45 3.308 -4.164 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.164 -5.632 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.647 -6.260 -6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.890 -5.034 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.104 -6.353 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.237 -8.122 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.955 -8.655 -4.223 1.00 0.00 H new ATOM 658 N VAL A 46 3.854 -3.830 -8.034 1.00 0.00 N ATOM 659 CA VAL A 46 4.242 -3.337 -9.390 1.00 0.00 C ATOM 660 C VAL A 46 3.090 -3.473 -10.394 1.00 0.00 C ATOM 661 O VAL A 46 3.093 -2.828 -11.424 1.00 0.00 O ATOM 662 CB VAL A 46 5.435 -4.149 -9.898 1.00 0.00 C ATOM 663 CG1 VAL A 46 4.987 -5.579 -10.213 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.990 -3.499 -11.167 1.00 0.00 C ATOM 0 H VAL A 46 4.583 -4.349 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 46 4.499 -2.281 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 46 6.209 -4.173 -9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.838 -6.156 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.591 -6.044 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.212 -5.557 -10.979 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.840 -4.077 -11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.214 -3.475 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.311 -2.482 -10.944 1.00 0.00 H new ATOM 674 N ALA A 47 2.117 -4.307 -10.138 1.00 0.00 N ATOM 675 CA ALA A 47 1.011 -4.452 -11.134 1.00 0.00 C ATOM 676 C ALA A 47 -0.312 -4.801 -10.446 1.00 0.00 C ATOM 677 O ALA A 47 -0.959 -5.769 -10.793 1.00 0.00 O ATOM 678 CB ALA A 47 1.369 -5.561 -12.123 1.00 0.00 C ATOM 0 H ALA A 47 2.038 -4.884 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 47 0.889 -3.502 -11.654 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.566 -5.672 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.294 -5.304 -12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.502 -6.499 -11.585 1.00 0.00 H new ATOM 684 N CYS A 48 -0.734 -4.019 -9.489 1.00 0.00 N ATOM 685 CA CYS A 48 -2.028 -4.317 -8.811 1.00 0.00 C ATOM 686 C CYS A 48 -2.741 -3.012 -8.450 1.00 0.00 C ATOM 687 O CYS A 48 -2.675 -2.553 -7.327 1.00 0.00 O ATOM 688 CB CYS A 48 -1.768 -5.110 -7.536 1.00 0.00 C ATOM 689 SG CYS A 48 -3.313 -5.874 -6.993 1.00 0.00 S ATOM 0 H CYS A 48 -0.243 -3.192 -9.149 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.654 -4.899 -9.487 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.013 -5.875 -7.716 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.378 -4.454 -6.758 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.058 -6.777 -6.094 1.00 0.00 H new ATOM 694 N PRO A 49 -3.427 -2.421 -9.393 1.00 0.00 N ATOM 695 CA PRO A 49 -4.171 -1.157 -9.164 1.00 0.00 C ATOM 696 C PRO A 49 -5.572 -1.411 -8.594 1.00 0.00 C ATOM 697 O PRO A 49 -6.489 -1.762 -9.310 1.00 0.00 O ATOM 698 CB PRO A 49 -4.258 -0.555 -10.566 1.00 0.00 C ATOM 699 CG PRO A 49 -4.286 -1.731 -11.495 1.00 0.00 C ATOM 700 CD PRO A 49 -3.567 -2.887 -10.782 1.00 0.00 C ATOM 0 HA PRO A 49 -3.683 -0.509 -8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.153 0.057 -10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.404 0.090 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.313 -2.007 -11.737 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.790 -1.491 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.145 -3.810 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.596 -3.092 -11.234 1.00 0.00 H new ATOM 708 N TYR A 50 -5.737 -1.228 -7.313 1.00 0.00 N ATOM 709 CA TYR A 50 -7.066 -1.451 -6.674 1.00 0.00 C ATOM 710 C TYR A 50 -7.042 -0.824 -5.281 1.00 0.00 C ATOM 711 O TYR A 50 -6.110 -1.019 -4.525 1.00 0.00 O ATOM 712 CB TYR A 50 -7.335 -2.953 -6.542 1.00 0.00 C ATOM 713 CG TYR A 50 -7.508 -3.567 -7.912 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.514 -4.403 -8.434 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.661 -3.298 -8.658 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.673 -4.971 -9.705 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.821 -3.867 -9.928 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.827 -4.702 -10.451 1.00 0.00 C ATOM 719 OH TYR A 50 -7.984 -5.262 -11.702 1.00 0.00 O ATOM 0 H TYR A 50 -5.000 -0.930 -6.674 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.849 -1.000 -7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.508 -3.435 -6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.231 -3.120 -5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.625 -4.610 -7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.427 -2.652 -8.255 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.906 -5.616 -10.109 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.711 -3.661 -10.504 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.840 -4.975 -12.084 1.00 0.00 H new ATOM 729 N VAL A 51 -8.049 -0.068 -4.928 1.00 0.00 N ATOM 730 CA VAL A 51 -8.059 0.565 -3.578 1.00 0.00 C ATOM 731 C VAL A 51 -8.991 -0.215 -2.649 1.00 0.00 C ATOM 732 O VAL A 51 -10.198 -0.105 -2.714 1.00 0.00 O ATOM 733 CB VAL A 51 -8.499 2.026 -3.702 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.682 2.134 -4.669 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.898 2.574 -2.330 1.00 0.00 C ATOM 0 H VAL A 51 -8.859 0.137 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.056 0.543 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.666 2.613 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.990 3.176 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.385 1.764 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.514 1.539 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.209 3.614 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.723 1.985 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.046 2.514 -1.652 1.00 0.00 H new ATOM 745 N GLY A 52 -8.428 -1.023 -1.791 1.00 0.00 N ATOM 746 CA GLY A 52 -9.260 -1.842 -0.864 1.00 0.00 C ATOM 747 C GLY A 52 -9.612 -1.056 0.402 1.00 0.00 C ATOM 748 O GLY A 52 -9.324 0.117 0.525 1.00 0.00 O ATOM 0 H GLY A 52 -7.421 -1.151 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.175 -2.152 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.722 -2.750 -0.594 1.00 0.00 H new ATOM 752 N CYS A 53 -10.246 -1.710 1.341 1.00 0.00 N ATOM 753 CA CYS A 53 -10.646 -1.038 2.612 1.00 0.00 C ATOM 754 C CYS A 53 -9.667 -1.369 3.720 1.00 0.00 C ATOM 755 O CYS A 53 -8.820 -2.232 3.610 1.00 0.00 O ATOM 756 CB CYS A 53 -12.000 -1.578 3.106 1.00 0.00 C ATOM 757 SG CYS A 53 -12.334 -3.190 2.353 1.00 0.00 S ATOM 0 H CYS A 53 -10.507 -2.694 1.279 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.682 0.031 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.990 -1.670 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.795 -0.877 2.852 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.393 -3.108 1.603 1.00 0.00 H new ATOM 762 N GLY A 54 -9.876 -0.726 4.821 1.00 0.00 N ATOM 763 CA GLY A 54 -9.091 -0.999 6.041 1.00 0.00 C ATOM 764 C GLY A 54 -10.121 -1.507 7.030 1.00 0.00 C ATOM 765 O GLY A 54 -11.296 -1.277 6.837 1.00 0.00 O ATOM 0 H GLY A 54 -10.582 0.002 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.313 -1.740 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.595 -0.100 6.407 1.00 0.00 H new ATOM 769 N GLU A 55 -9.737 -2.198 8.059 1.00 0.00 N ATOM 770 CA GLU A 55 -10.767 -2.699 9.022 1.00 0.00 C ATOM 771 C GLU A 55 -11.986 -1.797 8.962 1.00 0.00 C ATOM 772 O GLU A 55 -13.113 -2.246 9.029 1.00 0.00 O ATOM 773 CB GLU A 55 -10.208 -2.675 10.434 1.00 0.00 C ATOM 774 CG GLU A 55 -9.999 -1.226 10.883 1.00 0.00 C ATOM 775 CD GLU A 55 -9.085 -1.198 12.110 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.742 -2.265 12.592 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.745 -0.111 12.546 1.00 0.00 O ATOM 0 H GLU A 55 -8.771 -2.439 8.280 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.040 -3.720 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.892 -3.181 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.263 -3.217 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.557 -0.644 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.958 -0.766 11.120 1.00 0.00 H new ATOM 784 N SER A 56 -11.750 -0.529 8.805 1.00 0.00 N ATOM 785 CA SER A 56 -12.866 0.447 8.691 1.00 0.00 C ATOM 786 C SER A 56 -14.076 -0.270 8.092 1.00 0.00 C ATOM 787 O SER A 56 -15.192 -0.124 8.550 1.00 0.00 O ATOM 788 CB SER A 56 -12.425 1.582 7.766 1.00 0.00 C ATOM 789 OG SER A 56 -12.190 2.751 8.539 1.00 0.00 O ATOM 0 H SER A 56 -10.817 -0.120 8.750 1.00 0.00 H new ATOM 0 HA SER A 56 -13.129 0.854 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.520 1.299 7.229 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.193 1.775 7.017 1.00 0.00 H new ATOM 0 HG SER A 56 -12.526 3.535 8.057 1.00 0.00 H new ATOM 795 N PHE A 57 -13.847 -1.069 7.079 1.00 0.00 N ATOM 796 CA PHE A 57 -14.971 -1.829 6.453 1.00 0.00 C ATOM 797 C PHE A 57 -14.711 -3.324 6.597 1.00 0.00 C ATOM 798 O PHE A 57 -15.068 -3.943 7.579 1.00 0.00 O ATOM 799 CB PHE A 57 -15.075 -1.497 4.971 1.00 0.00 C ATOM 800 CG PHE A 57 -16.192 -2.311 4.359 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.517 -2.085 4.754 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.906 -3.294 3.403 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.554 -2.839 4.193 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.944 -4.048 2.843 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.268 -3.821 3.237 1.00 0.00 C ATOM 0 H PHE A 57 -12.931 -1.227 6.659 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.899 -1.553 6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.268 -0.433 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.132 -1.716 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.738 -1.328 5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.885 -3.470 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.575 -2.663 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.723 -4.806 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.068 -4.403 2.804 1.00 0.00 H new ATOM 815 N ALA A 58 -14.082 -3.898 5.613 1.00 0.00 N ATOM 816 CA ALA A 58 -13.771 -5.359 5.651 1.00 0.00 C ATOM 817 C ALA A 58 -12.258 -5.539 5.549 1.00 0.00 C ATOM 818 O ALA A 58 -11.745 -6.640 5.570 1.00 0.00 O ATOM 819 CB ALA A 58 -14.451 -6.058 4.471 1.00 0.00 C ATOM 0 H ALA A 58 -13.765 -3.415 4.773 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.136 -5.794 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.224 -7.124 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.530 -5.915 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.084 -5.634 3.536 1.00 0.00 H new ATOM 825 N ASP A 59 -11.547 -4.454 5.441 1.00 0.00 N ATOM 826 CA ASP A 59 -10.065 -4.525 5.339 1.00 0.00 C ATOM 827 C ASP A 59 -9.649 -5.439 4.186 1.00 0.00 C ATOM 828 O ASP A 59 -8.979 -6.431 4.391 1.00 0.00 O ATOM 829 CB ASP A 59 -9.475 -5.062 6.649 1.00 0.00 C ATOM 830 CG ASP A 59 -7.969 -5.274 6.491 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.571 -6.398 6.238 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.238 -4.308 6.630 1.00 0.00 O ATOM 0 H ASP A 59 -11.934 -3.510 5.419 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.686 -3.521 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.670 -4.361 7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.958 -6.002 6.917 1.00 0.00 H new ATOM 837 N HIS A 60 -10.003 -5.110 2.967 1.00 0.00 N ATOM 838 CA HIS A 60 -9.565 -5.974 1.833 1.00 0.00 C ATOM 839 C HIS A 60 -8.069 -6.202 2.016 1.00 0.00 C ATOM 840 O HIS A 60 -7.506 -7.171 1.563 1.00 0.00 O ATOM 841 CB HIS A 60 -9.807 -5.262 0.493 1.00 0.00 C ATOM 842 CG HIS A 60 -10.995 -5.856 -0.219 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.142 -5.118 -0.520 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.219 -7.117 -0.713 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.986 -5.949 -1.165 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.472 -7.170 -1.305 1.00 0.00 N ATOM 0 H HIS A 60 -10.565 -4.297 2.714 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.121 -6.911 1.824 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.974 -4.199 0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.920 -5.347 -0.135 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.309 -4.137 -0.295 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.525 -7.942 -0.650 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.962 -5.659 -1.525 1.00 0.00 H new ATOM 854 N SER A 61 -7.434 -5.295 2.696 1.00 0.00 N ATOM 855 CA SER A 61 -5.972 -5.408 2.948 1.00 0.00 C ATOM 856 C SER A 61 -5.617 -6.832 3.374 1.00 0.00 C ATOM 857 O SER A 61 -4.541 -7.322 3.090 1.00 0.00 O ATOM 858 CB SER A 61 -5.596 -4.433 4.065 1.00 0.00 C ATOM 859 OG SER A 61 -4.256 -3.994 3.878 1.00 0.00 O ATOM 0 H SER A 61 -7.872 -4.465 3.095 1.00 0.00 H new ATOM 0 HA SER A 61 -5.424 -5.171 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.274 -3.579 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.699 -4.918 5.036 1.00 0.00 H new ATOM 0 HG SER A 61 -3.670 -4.450 4.518 1.00 0.00 H new ATOM 865 N THR A 62 -6.499 -7.500 4.064 1.00 0.00 N ATOM 866 CA THR A 62 -6.185 -8.880 4.515 1.00 0.00 C ATOM 867 C THR A 62 -6.606 -9.895 3.459 1.00 0.00 C ATOM 868 O THR A 62 -5.784 -10.587 2.893 1.00 0.00 O ATOM 869 CB THR A 62 -6.936 -9.186 5.804 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.225 -8.591 5.757 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.158 -8.642 7.006 1.00 0.00 C ATOM 0 H THR A 62 -7.419 -7.150 4.333 1.00 0.00 H new ATOM 0 HA THR A 62 -5.110 -8.948 4.680 1.00 0.00 H new ATOM 0 HB THR A 62 -7.040 -10.266 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.149 -7.632 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.703 -8.865 7.923 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.174 -9.110 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.043 -7.563 6.906 1.00 0.00 H new ATOM 879 N ILE A 63 -7.881 -10.014 3.207 1.00 0.00 N ATOM 880 CA ILE A 63 -8.327 -11.015 2.209 1.00 0.00 C ATOM 881 C ILE A 63 -7.620 -10.748 0.880 1.00 0.00 C ATOM 882 O ILE A 63 -7.318 -11.653 0.128 1.00 0.00 O ATOM 883 CB ILE A 63 -9.835 -10.953 2.010 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.254 -9.504 1.841 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.543 -11.557 3.225 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.678 -9.441 1.287 1.00 0.00 C ATOM 0 H ILE A 63 -8.622 -9.467 3.645 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.073 -12.010 2.574 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.110 -11.521 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.203 -8.986 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.568 -8.993 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.622 -11.510 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.238 -12.597 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.274 -10.995 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.976 -8.399 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.715 -9.943 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.360 -9.936 1.979 1.00 0.00 H new ATOM 898 N HIS A 64 -7.356 -9.507 0.589 1.00 0.00 N ATOM 899 CA HIS A 64 -6.662 -9.166 -0.687 1.00 0.00 C ATOM 900 C HIS A 64 -5.203 -9.619 -0.610 1.00 0.00 C ATOM 901 O HIS A 64 -4.671 -10.183 -1.547 1.00 0.00 O ATOM 902 CB HIS A 64 -6.703 -7.657 -0.927 1.00 0.00 C ATOM 903 CG HIS A 64 -6.023 -7.358 -2.231 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.727 -7.027 -3.379 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.698 -7.363 -2.589 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.830 -6.850 -4.366 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.579 -7.045 -3.937 1.00 0.00 N ATOM 0 H HIS A 64 -7.591 -8.710 1.180 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.169 -9.673 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.735 -7.306 -0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.205 -7.131 -0.112 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.740 -6.935 -3.460 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.874 -7.581 -1.925 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.089 -6.583 -5.380 1.00 0.00 H new ATOM 915 N ALA A 65 -4.552 -9.399 0.503 1.00 0.00 N ATOM 916 CA ALA A 65 -3.135 -9.848 0.627 1.00 0.00 C ATOM 917 C ALA A 65 -3.165 -11.351 0.846 1.00 0.00 C ATOM 918 O ALA A 65 -2.199 -12.058 0.667 1.00 0.00 O ATOM 919 CB ALA A 65 -2.474 -9.159 1.823 1.00 0.00 C ATOM 0 H ALA A 65 -4.937 -8.932 1.324 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.564 -9.595 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.439 -9.491 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.498 -8.079 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.014 -9.416 2.735 1.00 0.00 H new ATOM 925 N GLN A 66 -4.299 -11.811 1.258 1.00 0.00 N ATOM 926 CA GLN A 66 -4.524 -13.247 1.544 1.00 0.00 C ATOM 927 C GLN A 66 -4.856 -14.003 0.251 1.00 0.00 C ATOM 928 O GLN A 66 -4.501 -15.152 0.082 1.00 0.00 O ATOM 929 CB GLN A 66 -5.726 -13.284 2.478 1.00 0.00 C ATOM 930 CG GLN A 66 -6.300 -14.695 2.636 1.00 0.00 C ATOM 931 CD GLN A 66 -5.697 -15.367 3.873 1.00 0.00 C ATOM 932 OE1 GLN A 66 -5.561 -14.746 4.910 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.326 -16.616 3.807 1.00 0.00 N ATOM 0 H GLN A 66 -5.119 -11.225 1.416 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.641 -13.714 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.434 -12.902 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.501 -12.620 2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.385 -14.647 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.083 -15.287 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.440 -17.137 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.922 -17.072 4.625 1.00 0.00 H new ATOM 942 N ALA A 67 -5.561 -13.371 -0.646 1.00 0.00 N ATOM 943 CA ALA A 67 -5.954 -14.052 -1.911 1.00 0.00 C ATOM 944 C ALA A 67 -4.875 -13.852 -2.970 1.00 0.00 C ATOM 945 O ALA A 67 -4.512 -14.763 -3.688 1.00 0.00 O ATOM 946 CB ALA A 67 -7.279 -13.463 -2.410 1.00 0.00 C ATOM 0 H ALA A 67 -5.883 -12.407 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.072 -15.119 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.571 -13.958 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.052 -13.616 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.157 -12.395 -2.592 1.00 0.00 H new ATOM 952 N LYS A 68 -4.373 -12.656 -3.083 1.00 0.00 N ATOM 953 CA LYS A 68 -3.330 -12.372 -4.106 1.00 0.00 C ATOM 954 C LYS A 68 -1.950 -12.438 -3.460 1.00 0.00 C ATOM 955 O LYS A 68 -0.942 -12.196 -4.091 1.00 0.00 O ATOM 956 CB LYS A 68 -3.573 -10.980 -4.682 1.00 0.00 C ATOM 957 CG LYS A 68 -5.008 -10.900 -5.227 1.00 0.00 C ATOM 958 CD LYS A 68 -5.941 -10.319 -4.161 1.00 0.00 C ATOM 959 CE LYS A 68 -7.334 -10.112 -4.759 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.642 -11.229 -5.698 1.00 0.00 N ATOM 0 H LYS A 68 -4.642 -11.858 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.379 -13.111 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.421 -10.224 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.857 -10.773 -5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.032 -10.278 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.350 -11.892 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.997 -10.993 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.546 -9.371 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.080 -10.073 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.378 -9.158 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.663 -11.246 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.121 -11.089 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.357 -12.132 -5.268 1.00 0.00 H new ATOM 974 N LYS A 69 -1.906 -12.776 -2.206 1.00 0.00 N ATOM 975 CA LYS A 69 -0.603 -12.881 -1.497 1.00 0.00 C ATOM 976 C LYS A 69 0.167 -11.559 -1.608 1.00 0.00 C ATOM 977 O LYS A 69 1.351 -11.501 -1.340 1.00 0.00 O ATOM 978 CB LYS A 69 0.222 -14.021 -2.111 1.00 0.00 C ATOM 979 CG LYS A 69 -0.128 -15.350 -1.424 1.00 0.00 C ATOM 980 CD LYS A 69 -1.653 -15.512 -1.327 1.00 0.00 C ATOM 981 CE LYS A 69 -2.008 -16.998 -1.250 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.486 -17.151 -1.131 1.00 0.00 N ATOM 0 H LYS A 69 -2.725 -12.986 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.784 -13.092 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.022 -14.091 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.286 -13.813 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.298 -16.181 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.312 -15.380 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.029 -14.992 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.133 -15.058 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.649 -17.515 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.514 -17.457 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.708 -17.761 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.922 -16.217 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.861 -17.582 -2.000 1.00 0.00 H new ATOM 996 N HIS A 70 -0.496 -10.491 -1.967 1.00 0.00 N ATOM 997 CA HIS A 70 0.211 -9.177 -2.051 1.00 0.00 C ATOM 998 C HIS A 70 0.412 -8.674 -0.620 1.00 0.00 C ATOM 999 O HIS A 70 -0.530 -8.555 0.138 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.638 -8.188 -2.856 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.702 -8.652 -4.287 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.732 -8.285 -5.139 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.131 -9.454 -5.034 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.496 -8.855 -6.335 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.375 -9.576 -6.321 1.00 0.00 N ATOM 0 H HIS A 70 -1.488 -10.470 -2.204 1.00 0.00 H new ATOM 0 HA HIS A 70 1.174 -9.279 -2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.642 -8.123 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.205 -7.189 -2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.038 -9.917 -4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.135 -8.742 -7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.027 -10.106 -7.094 1.00 0.00 H new ATOM 1013 N ASN A 71 1.632 -8.418 -0.219 1.00 0.00 N ATOM 1014 CA ASN A 71 1.866 -7.976 1.182 1.00 0.00 C ATOM 1015 C ASN A 71 1.857 -6.452 1.291 1.00 0.00 C ATOM 1016 O ASN A 71 1.321 -5.894 2.228 1.00 0.00 O ATOM 1017 CB ASN A 71 3.223 -8.505 1.642 1.00 0.00 C ATOM 1018 CG ASN A 71 4.240 -8.364 0.507 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.141 -7.553 0.580 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.134 -9.126 -0.547 1.00 0.00 N ATOM 0 H ASN A 71 2.468 -8.496 -0.799 1.00 0.00 H new ATOM 0 HA ASN A 71 1.066 -8.367 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.562 -7.953 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.136 -9.550 1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.807 -9.040 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.378 -9.808 -0.610 1.00 0.00 H new ATOM 1027 N LEU A 72 2.481 -5.774 0.373 1.00 0.00 N ATOM 1028 CA LEU A 72 2.553 -4.288 0.466 1.00 0.00 C ATOM 1029 C LEU A 72 1.282 -3.601 -0.028 1.00 0.00 C ATOM 1030 O LEU A 72 0.739 -3.911 -1.070 1.00 0.00 O ATOM 1031 CB LEU A 72 3.732 -3.795 -0.361 1.00 0.00 C ATOM 1032 CG LEU A 72 5.033 -4.276 0.283 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.112 -4.406 -0.786 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.489 -3.272 1.349 1.00 0.00 C ATOM 0 H LEU A 72 2.945 -6.182 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 72 2.673 -4.035 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.657 -4.169 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.721 -2.707 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 72 4.864 -5.245 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.039 -4.749 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.793 -5.126 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.277 -3.437 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.416 -3.620 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.655 -2.300 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.720 -3.182 2.116 1.00 0.00 H new ATOM 1046 N THR A 73 0.852 -2.625 0.720 1.00 0.00 N ATOM 1047 CA THR A 73 -0.342 -1.817 0.354 1.00 0.00 C ATOM 1048 C THR A 73 -0.118 -0.433 0.960 1.00 0.00 C ATOM 1049 O THR A 73 0.683 -0.287 1.856 1.00 0.00 O ATOM 1050 CB THR A 73 -1.612 -2.446 0.939 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.808 -1.969 2.262 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.477 -3.971 0.960 1.00 0.00 C ATOM 0 H THR A 73 1.293 -2.346 1.596 1.00 0.00 H new ATOM 0 HA THR A 73 -0.470 -1.767 -0.727 1.00 0.00 H new ATOM 0 HB THR A 73 -2.466 -2.172 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.620 -2.369 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.383 -4.411 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.330 -4.337 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.621 -4.252 1.574 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.782 0.591 0.492 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.528 1.945 1.080 1.00 0.00 C ATOM 1062 C VAL A 74 -1.814 2.547 1.642 1.00 0.00 C ATOM 1063 O VAL A 74 -2.851 2.553 1.011 1.00 0.00 O ATOM 1064 CB VAL A 74 0.060 2.865 0.005 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.727 2.698 -1.297 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.026 4.325 0.463 1.00 0.00 C ATOM 0 H VAL A 74 -1.475 0.555 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 74 0.182 1.842 1.901 1.00 0.00 H new ATOM 0 HB VAL A 74 1.104 2.599 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.309 3.353 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.662 1.662 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.771 2.960 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.394 4.973 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.069 4.592 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.536 4.450 1.389 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.729 3.053 2.845 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.915 3.666 3.499 1.00 0.00 C ATOM 1078 C ASN A 75 -3.033 5.126 3.072 1.00 0.00 C ATOM 1079 O ASN A 75 -2.343 5.990 3.576 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.743 3.597 5.018 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.077 3.905 5.698 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.030 4.283 5.047 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.186 3.760 6.990 1.00 0.00 N ATOM 0 H ASN A 75 -0.877 3.066 3.405 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.815 3.126 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.394 2.607 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.985 4.310 5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.072 3.964 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.386 3.443 7.537 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.906 5.409 2.152 1.00 0.00 N ATOM 1091 CA LEU A 76 -4.077 6.811 1.696 1.00 0.00 C ATOM 1092 C LEU A 76 -4.688 7.625 2.834 1.00 0.00 C ATOM 1093 O LEU A 76 -5.062 8.769 2.672 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.990 6.818 0.469 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.534 5.704 -0.501 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.717 4.805 -0.865 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.941 6.309 -1.780 1.00 0.00 C ATOM 0 H LEU A 76 -4.511 4.727 1.694 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.119 7.253 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.025 6.656 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.949 7.788 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.768 5.111 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.384 4.024 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.119 4.348 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.493 5.401 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.626 5.508 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.694 6.921 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.081 6.928 -1.525 1.00 0.00 H new ATOM 1109 N THR A 77 -4.770 7.034 3.996 1.00 0.00 N ATOM 1110 CA THR A 77 -5.330 7.748 5.174 1.00 0.00 C ATOM 1111 C THR A 77 -4.192 8.453 5.904 1.00 0.00 C ATOM 1112 O THR A 77 -4.328 9.567 6.370 1.00 0.00 O ATOM 1113 CB THR A 77 -5.982 6.737 6.116 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.959 6.002 5.398 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.630 7.477 7.289 1.00 0.00 C ATOM 0 H THR A 77 -4.469 6.077 4.178 1.00 0.00 H new ATOM 0 HA THR A 77 -6.075 8.475 4.850 1.00 0.00 H new ATOM 0 HB THR A 77 -5.231 6.050 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.570 5.158 5.086 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.095 6.756 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.869 8.039 7.830 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.388 8.163 6.912 1.00 0.00 H new ATOM 1123 N THR A 78 -3.068 7.797 6.010 1.00 0.00 N ATOM 1124 CA THR A 78 -1.898 8.406 6.718 1.00 0.00 C ATOM 1125 C THR A 78 -0.690 8.513 5.779 1.00 0.00 C ATOM 1126 O THR A 78 0.260 9.217 6.063 1.00 0.00 O ATOM 1127 CB THR A 78 -1.528 7.537 7.922 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.663 7.393 8.765 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.391 8.198 8.701 1.00 0.00 C ATOM 0 H THR A 78 -2.906 6.862 5.636 1.00 0.00 H new ATOM 0 HA THR A 78 -2.172 9.408 7.048 1.00 0.00 H new ATOM 0 HB THR A 78 -1.204 6.555 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.517 7.890 9.597 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.129 7.578 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.478 8.308 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.711 9.180 9.048 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.714 7.833 4.664 1.00 0.00 N ATOM 1138 CA PHE A 79 0.433 7.909 3.705 1.00 0.00 C ATOM 1139 C PHE A 79 1.589 7.010 4.174 1.00 0.00 C ATOM 1140 O PHE A 79 2.711 7.448 4.331 1.00 0.00 O ATOM 1141 CB PHE A 79 0.915 9.364 3.588 1.00 0.00 C ATOM 1142 CG PHE A 79 1.383 9.637 2.177 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.538 10.294 1.274 1.00 0.00 C ATOM 1144 CD2 PHE A 79 2.661 9.233 1.771 1.00 0.00 C ATOM 1145 CE1 PHE A 79 0.972 10.548 -0.033 1.00 0.00 C ATOM 1146 CE2 PHE A 79 3.094 9.486 0.464 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.249 10.144 -0.439 1.00 0.00 C ATOM 0 H PHE A 79 -1.480 7.225 4.373 1.00 0.00 H new ATOM 0 HA PHE A 79 0.097 7.560 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.107 10.047 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.727 9.545 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.448 10.605 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.313 8.726 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.321 11.056 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.080 9.174 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.583 10.339 -1.447 1.00 0.00 H new ATOM 1157 N ARG A 80 1.319 5.749 4.363 1.00 0.00 N ATOM 1158 CA ARG A 80 2.379 4.788 4.781 1.00 0.00 C ATOM 1159 C ARG A 80 2.088 3.466 4.080 1.00 0.00 C ATOM 1160 O ARG A 80 1.129 3.353 3.347 1.00 0.00 O ATOM 1161 CB ARG A 80 2.361 4.581 6.302 1.00 0.00 C ATOM 1162 CG ARG A 80 1.007 5.012 6.883 1.00 0.00 C ATOM 1163 CD ARG A 80 0.728 4.234 8.174 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.193 5.028 9.041 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.147 4.440 9.719 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.937 5.151 10.476 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.314 3.148 9.641 1.00 0.00 N ATOM 0 H ARG A 80 0.394 5.336 4.244 1.00 0.00 H new ATOM 0 HA ARG A 80 3.363 5.173 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.547 3.533 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.163 5.158 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.012 6.083 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.214 4.829 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.282 3.267 7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.661 4.036 8.701 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.078 6.039 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.811 6.161 10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.681 4.697 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.699 2.589 9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.059 2.697 10.172 1.00 0.00 H new ATOM 1181 N LEU A 81 2.894 2.467 4.290 1.00 0.00 N ATOM 1182 CA LEU A 81 2.636 1.163 3.618 1.00 0.00 C ATOM 1183 C LEU A 81 2.294 0.103 4.656 1.00 0.00 C ATOM 1184 O LEU A 81 2.265 0.356 5.842 1.00 0.00 O ATOM 1185 CB LEU A 81 3.879 0.742 2.826 1.00 0.00 C ATOM 1186 CG LEU A 81 3.719 1.128 1.351 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.098 1.423 0.748 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.048 -0.015 0.566 1.00 0.00 C ATOM 0 H LEU A 81 3.716 2.494 4.894 1.00 0.00 H new ATOM 0 HA LEU A 81 1.794 1.269 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.765 1.222 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.029 -0.334 2.914 1.00 0.00 H new ATOM 0 HG LEU A 81 3.090 2.016 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.985 1.698 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.564 2.246 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.726 0.536 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.942 0.275 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.663 -0.912 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.064 -0.217 0.988 1.00 0.00 H new ATOM 1200 N TRP A 82 2.032 -1.085 4.201 1.00 0.00 N ATOM 1201 CA TRP A 82 1.686 -2.192 5.129 1.00 0.00 C ATOM 1202 C TRP A 82 2.044 -3.507 4.449 1.00 0.00 C ATOM 1203 O TRP A 82 1.437 -3.896 3.470 1.00 0.00 O ATOM 1204 CB TRP A 82 0.188 -2.153 5.435 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.113 -3.009 6.625 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.495 -2.911 7.831 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.089 -4.084 6.747 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.043 -3.860 8.681 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -1.023 -4.607 8.060 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.015 -4.651 5.853 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.847 -5.655 8.472 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.846 -5.706 6.264 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.762 -6.207 7.572 1.00 0.00 C ATOM 0 H TRP A 82 2.043 -1.340 3.214 1.00 0.00 H new ATOM 0 HA TRP A 82 2.236 -2.092 6.065 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.126 -1.127 5.626 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.377 -2.504 4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.273 -2.207 8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.249 -3.992 9.649 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.087 -4.273 4.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.778 -6.037 9.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.554 -6.134 5.569 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.404 -7.018 7.883 1.00 0.00 H new ATOM 1224 N CYS A 83 3.040 -4.182 4.940 1.00 0.00 N ATOM 1225 CA CYS A 83 3.458 -5.454 4.308 1.00 0.00 C ATOM 1226 C CYS A 83 2.808 -6.636 5.014 1.00 0.00 C ATOM 1227 O CYS A 83 3.185 -6.979 6.105 1.00 0.00 O ATOM 1228 CB CYS A 83 4.975 -5.586 4.430 1.00 0.00 C ATOM 1229 SG CYS A 83 5.631 -6.357 2.937 1.00 0.00 S ATOM 0 H CYS A 83 3.584 -3.904 5.757 1.00 0.00 H new ATOM 0 HA CYS A 83 3.152 -5.450 3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.426 -4.604 4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.230 -6.185 5.304 1.00 0.00 H new ATOM 0 HG CYS A 83 4.667 -6.541 2.084 1.00 0.00 H new ATOM 1234 N TYR A 84 1.865 -7.292 4.401 1.00 0.00 N ATOM 1235 CA TYR A 84 1.270 -8.473 5.079 1.00 0.00 C ATOM 1236 C TYR A 84 2.351 -9.552 5.115 1.00 0.00 C ATOM 1237 O TYR A 84 2.149 -10.646 5.601 1.00 0.00 O ATOM 1238 CB TYR A 84 0.041 -8.975 4.310 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.859 -9.748 5.248 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.470 -9.097 6.325 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.082 -11.117 5.041 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.302 -9.810 7.196 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -1.914 -11.829 5.912 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.524 -11.177 6.989 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.344 -11.880 7.848 1.00 0.00 O ATOM 0 H TYR A 84 1.487 -7.068 3.480 1.00 0.00 H new ATOM 0 HA TYR A 84 0.939 -8.216 6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.501 -8.133 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.352 -9.611 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.299 -8.043 6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.612 -11.621 4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.773 -9.306 8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.086 -12.883 5.753 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.392 -12.816 7.562 1.00 0.00 H new ATOM 1255 N ALA A 85 3.518 -9.215 4.624 1.00 0.00 N ATOM 1256 CA ALA A 85 4.656 -10.170 4.642 1.00 0.00 C ATOM 1257 C ALA A 85 5.534 -9.781 5.825 1.00 0.00 C ATOM 1258 O ALA A 85 5.542 -10.440 6.846 1.00 0.00 O ATOM 1259 CB ALA A 85 5.458 -10.071 3.343 1.00 0.00 C ATOM 0 H ALA A 85 3.727 -8.308 4.208 1.00 0.00 H new ATOM 0 HA ALA A 85 4.300 -11.196 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.288 -10.777 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.812 -10.306 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.847 -9.059 3.232 1.00 0.00 H new ATOM 1265 N CYS A 86 6.230 -8.671 5.729 1.00 0.00 N ATOM 1266 CA CYS A 86 7.032 -8.225 6.885 1.00 0.00 C ATOM 1267 C CYS A 86 6.026 -7.948 7.991 1.00 0.00 C ATOM 1268 O CYS A 86 6.358 -7.758 9.143 1.00 0.00 O ATOM 1269 CB CYS A 86 7.794 -6.942 6.527 1.00 0.00 C ATOM 1270 SG CYS A 86 8.773 -7.218 5.029 1.00 0.00 S ATOM 0 H CYS A 86 6.270 -8.070 4.906 1.00 0.00 H new ATOM 0 HA CYS A 86 7.769 -8.970 7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.093 -6.122 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.445 -6.651 7.351 1.00 0.00 H new ATOM 0 HG CYS A 86 7.990 -7.207 3.991 1.00 0.00 H new ATOM 1275 N GLU A 87 4.774 -7.944 7.610 1.00 0.00 N ATOM 1276 CA GLU A 87 3.673 -7.703 8.574 1.00 0.00 C ATOM 1277 C GLU A 87 3.996 -6.474 9.427 1.00 0.00 C ATOM 1278 O GLU A 87 4.172 -6.552 10.627 1.00 0.00 O ATOM 1279 CB GLU A 87 3.500 -8.957 9.434 1.00 0.00 C ATOM 1280 CG GLU A 87 2.088 -9.526 9.254 1.00 0.00 C ATOM 1281 CD GLU A 87 1.082 -8.639 9.989 1.00 0.00 C ATOM 1282 OE1 GLU A 87 0.641 -9.035 11.056 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.767 -7.579 9.473 1.00 0.00 O ATOM 0 H GLU A 87 4.469 -8.102 6.650 1.00 0.00 H new ATOM 0 HA GLU A 87 2.737 -7.504 8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.241 -9.705 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.673 -8.715 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.838 -9.577 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.043 -10.544 9.642 1.00 0.00 H new ATOM 1290 N LYS A 88 4.067 -5.331 8.800 1.00 0.00 N ATOM 1291 CA LYS A 88 4.368 -4.079 9.547 1.00 0.00 C ATOM 1292 C LYS A 88 4.001 -2.878 8.676 1.00 0.00 C ATOM 1293 O LYS A 88 3.530 -3.029 7.568 1.00 0.00 O ATOM 1294 CB LYS A 88 5.859 -4.029 9.879 1.00 0.00 C ATOM 1295 CG LYS A 88 6.659 -4.447 8.645 1.00 0.00 C ATOM 1296 CD LYS A 88 8.138 -4.085 8.828 1.00 0.00 C ATOM 1297 CE LYS A 88 8.817 -5.084 9.778 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.600 -4.336 10.802 1.00 0.00 N ATOM 0 H LYS A 88 3.928 -5.211 7.797 1.00 0.00 H new ATOM 0 HA LYS A 88 3.791 -4.055 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.142 -3.023 10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.081 -4.693 10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.557 -5.520 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.262 -3.951 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.643 -4.090 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.226 -3.075 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.067 -5.710 10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.473 -5.749 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.061 -5.009 11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.324 -3.757 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.962 -3.719 11.344 1.00 0.00 H new ATOM 1312 N GLU A 89 4.225 -1.690 9.165 1.00 0.00 N ATOM 1313 CA GLU A 89 3.903 -0.466 8.371 1.00 0.00 C ATOM 1314 C GLU A 89 5.215 0.165 7.907 1.00 0.00 C ATOM 1315 O GLU A 89 6.204 0.122 8.612 1.00 0.00 O ATOM 1316 CB GLU A 89 3.130 0.521 9.263 1.00 0.00 C ATOM 1317 CG GLU A 89 1.830 0.956 8.574 1.00 0.00 C ATOM 1318 CD GLU A 89 0.824 1.418 9.630 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.272 0.882 9.650 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.166 2.300 10.400 1.00 0.00 O ATOM 0 H GLU A 89 4.621 -1.511 10.088 1.00 0.00 H new ATOM 0 HA GLU A 89 3.290 -0.718 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.903 0.054 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.748 1.394 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.031 1.763 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.416 0.128 7.999 1.00 0.00 H new ATOM 1327 N VAL A 90 5.259 0.740 6.729 1.00 0.00 N ATOM 1328 CA VAL A 90 6.549 1.336 6.278 1.00 0.00 C ATOM 1329 C VAL A 90 6.309 2.534 5.352 1.00 0.00 C ATOM 1330 O VAL A 90 5.392 2.563 4.563 1.00 0.00 O ATOM 1331 CB VAL A 90 7.374 0.262 5.539 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.368 -0.387 6.508 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.437 -0.817 4.988 1.00 0.00 C ATOM 0 H VAL A 90 4.478 0.820 6.078 1.00 0.00 H new ATOM 0 HA VAL A 90 7.095 1.689 7.153 1.00 0.00 H new ATOM 0 HB VAL A 90 7.917 0.733 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.948 -1.145 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.040 0.374 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.824 -0.853 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.022 -1.575 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.893 -1.281 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.729 -0.364 4.294 1.00 0.00 H new ATOM 1343 N PHE A 91 7.157 3.516 5.447 1.00 0.00 N ATOM 1344 CA PHE A 91 7.043 4.724 4.583 1.00 0.00 C ATOM 1345 C PHE A 91 8.097 4.625 3.496 1.00 0.00 C ATOM 1346 O PHE A 91 8.984 3.797 3.564 1.00 0.00 O ATOM 1347 CB PHE A 91 7.350 5.982 5.390 1.00 0.00 C ATOM 1348 CG PHE A 91 6.321 6.173 6.478 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.394 7.220 6.390 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.299 5.310 7.579 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.446 7.402 7.404 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.350 5.492 8.593 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.424 6.538 8.506 1.00 0.00 C ATOM 0 H PHE A 91 7.941 3.534 6.100 1.00 0.00 H new ATOM 0 HA PHE A 91 6.033 4.778 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.344 5.906 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.358 6.851 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.411 7.886 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.014 4.503 7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.731 8.209 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.333 4.825 9.442 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.693 6.679 9.288 1.00 0.00 H new