USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 41 MET CE :methyl -136:sc= -0.145 (180deg=-0.926) USER MOD Set 1.2: A 116 CYS SG : rot 77:sc= 0.905 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0.00973 USER MOD Set 2.2: A 83 ASN : amide:sc= -0.202 X(o=-0.19,f=-0.1) USER MOD Set 3.1: A 33 SER OG : rot -170:sc= -2.52 USER MOD Set 3.2: A 37 LYS NZ :NH3+ -166:sc= 0.135 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.868 K(o=0.87,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= 0.475 (180deg=-0.544!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.393 F(o=-1.2,f=-0.39) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -47:sc= -6.74! USER MOD Single : A 84 GLN : amide:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.12 (180deg=-0.978) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.4 F(o=-4!,f=-1.4) USER MOD Single : A 98 HIS : no HE2:sc= 1.05 K(o=1,f=-6.2!) USER MOD Single : A 105 THR OG1 : rot -31:sc= 0.127 USER MOD Single : A 106 THR OG1 : rot 153:sc= -3.82! USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 120 LYS NZ :NH3+ -172:sc= 0.816 (180deg=0.247) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 128 GLN : amide:sc= -0.0418 K(o=-0.042,f=-2.6!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 -0.027 -12.835 8.532 1.00 0.00 N ATOM 134 CA SER A 33 -0.491 -12.535 9.875 1.00 0.00 C ATOM 135 C SER A 33 -1.769 -13.302 10.177 1.00 0.00 C ATOM 136 O SER A 33 -1.846 -14.036 11.161 1.00 0.00 O ATOM 137 CB SER A 33 -0.730 -11.023 10.010 1.00 0.00 C ATOM 138 OG SER A 33 -1.912 -10.665 9.306 1.00 0.00 O ATOM 0 HA SER A 33 0.270 -12.842 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.824 -10.751 11.061 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.123 -10.472 9.613 1.00 0.00 H new ATOM 0 HG SER A 33 -1.981 -9.689 9.257 1.00 0.00 H new ATOM 144 N LEU A 34 -2.793 -13.091 9.347 1.00 0.00 N ATOM 145 CA LEU A 34 -4.088 -13.731 9.565 1.00 0.00 C ATOM 146 C LEU A 34 -3.891 -15.156 10.053 1.00 0.00 C ATOM 147 O LEU A 34 -4.603 -15.620 10.944 1.00 0.00 O ATOM 148 CB LEU A 34 -4.885 -13.733 8.263 1.00 0.00 C ATOM 149 CG LEU A 34 -6.256 -14.367 8.505 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.033 -13.540 9.534 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.035 -14.406 7.189 1.00 0.00 C ATOM 0 H LEU A 34 -2.750 -12.488 8.526 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.638 -13.173 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.004 -12.714 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.346 -14.288 7.495 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.125 -15.381 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.009 -13.994 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.478 -13.511 10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.166 -12.525 9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.013 -14.857 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.164 -13.391 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.484 -14.997 6.457 1.00 0.00 H new ATOM 163 N GLU A 35 -2.917 -15.841 9.472 1.00 0.00 N ATOM 164 CA GLU A 35 -2.630 -17.214 9.863 1.00 0.00 C ATOM 165 C GLU A 35 -2.121 -17.274 11.299 1.00 0.00 C ATOM 166 O GLU A 35 -2.541 -18.128 12.080 1.00 0.00 O ATOM 167 CB GLU A 35 -1.586 -17.816 8.917 1.00 0.00 C ATOM 168 CG GLU A 35 -0.980 -19.071 9.548 1.00 0.00 C ATOM 169 CD GLU A 35 -0.193 -19.858 8.508 1.00 0.00 C ATOM 170 OE1 GLU A 35 0.561 -19.244 7.772 1.00 0.00 O ATOM 171 OE2 GLU A 35 -0.358 -21.066 8.461 1.00 0.00 O ATOM 0 H GLU A 35 -2.316 -15.473 8.734 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.553 -17.790 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.048 -18.065 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.803 -17.086 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.326 -18.792 10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.771 -19.695 9.965 1.00 0.00 H new ATOM 178 N GLU A 36 -1.212 -16.369 11.636 1.00 0.00 N ATOM 179 CA GLU A 36 -0.648 -16.336 12.978 1.00 0.00 C ATOM 180 C GLU A 36 -1.725 -15.992 14.000 1.00 0.00 C ATOM 181 O GLU A 36 -1.779 -16.580 15.081 1.00 0.00 O ATOM 182 CB GLU A 36 0.473 -15.301 13.046 1.00 0.00 C ATOM 183 CG GLU A 36 1.657 -15.760 12.195 1.00 0.00 C ATOM 184 CD GLU A 36 2.738 -14.681 12.168 1.00 0.00 C ATOM 185 OE1 GLU A 36 2.511 -13.630 12.743 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.776 -14.924 11.575 1.00 0.00 O ATOM 0 H GLU A 36 -0.852 -15.654 11.004 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.245 -17.322 13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.111 -14.336 12.691 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.789 -15.162 14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.067 -16.686 12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.323 -15.975 11.180 1.00 0.00 H new ATOM 193 N LYS A 37 -2.583 -15.037 13.654 1.00 0.00 N ATOM 194 CA LYS A 37 -3.645 -14.617 14.563 1.00 0.00 C ATOM 195 C LYS A 37 -4.514 -15.813 14.944 1.00 0.00 C ATOM 196 O LYS A 37 -4.810 -16.023 16.120 1.00 0.00 O ATOM 197 CB LYS A 37 -4.521 -13.567 13.877 1.00 0.00 C ATOM 198 CG LYS A 37 -3.637 -12.440 13.345 1.00 0.00 C ATOM 199 CD LYS A 37 -4.485 -11.476 12.507 1.00 0.00 C ATOM 200 CE LYS A 37 -3.641 -10.911 11.364 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.520 -10.186 10.400 1.00 0.00 N ATOM 0 H LYS A 37 -2.565 -14.544 12.761 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.192 -14.196 15.461 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.081 -14.022 13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.251 -13.170 14.582 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.173 -11.906 14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.830 -12.852 12.739 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.356 -11.995 12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.857 -10.665 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.883 -10.235 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.114 -11.718 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.997 -10.010 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.361 -10.763 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.815 -9.279 10.814 1.00 0.00 H new ATOM 215 N ILE A 38 -4.911 -16.599 13.948 1.00 0.00 N ATOM 216 CA ILE A 38 -5.741 -17.773 14.200 1.00 0.00 C ATOM 217 C ILE A 38 -4.983 -18.788 15.052 1.00 0.00 C ATOM 218 O ILE A 38 -5.536 -19.360 15.991 1.00 0.00 O ATOM 219 CB ILE A 38 -6.147 -18.418 12.874 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.075 -17.470 12.112 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.884 -19.731 13.149 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.273 -17.986 10.686 1.00 0.00 C ATOM 0 H ILE A 38 -4.674 -16.447 12.968 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.635 -17.457 14.738 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.255 -18.617 12.279 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.036 -17.398 12.621 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.650 -16.467 12.091 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.173 -20.191 12.204 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.229 -20.408 13.696 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.776 -19.530 13.743 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.934 -17.311 10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.309 -18.035 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.717 -18.981 10.717 1.00 0.00 H new ATOM 234 N LYS A 39 -3.717 -19.009 14.717 1.00 0.00 N ATOM 235 CA LYS A 39 -2.895 -19.962 15.456 1.00 0.00 C ATOM 236 C LYS A 39 -2.768 -19.532 16.912 1.00 0.00 C ATOM 237 O LYS A 39 -2.801 -20.365 17.819 1.00 0.00 O ATOM 238 CB LYS A 39 -1.506 -20.046 14.823 1.00 0.00 C ATOM 239 CG LYS A 39 -1.611 -20.723 13.454 1.00 0.00 C ATOM 240 CD LYS A 39 -0.313 -20.508 12.667 1.00 0.00 C ATOM 241 CE LYS A 39 0.733 -21.535 13.088 1.00 0.00 C ATOM 242 NZ LYS A 39 1.817 -21.588 12.072 1.00 0.00 N ATOM 0 H LYS A 39 -3.239 -18.545 13.944 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.372 -20.941 15.417 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.082 -19.047 14.716 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.833 -20.610 15.469 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.799 -21.789 13.579 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.455 -20.313 12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.508 -20.594 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.065 -19.501 12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.146 -21.270 14.061 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.271 -22.517 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.529 -22.289 12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.417 -21.860 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.264 -20.652 11.992 1.00 0.00 H new ATOM 256 N LEU A 40 -2.617 -18.229 17.131 1.00 0.00 N ATOM 257 CA LEU A 40 -2.489 -17.706 18.486 1.00 0.00 C ATOM 258 C LEU A 40 -3.791 -17.882 19.263 1.00 0.00 C ATOM 259 O LEU A 40 -3.792 -18.366 20.394 1.00 0.00 O ATOM 260 CB LEU A 40 -2.120 -16.221 18.437 1.00 0.00 C ATOM 261 CG LEU A 40 -2.009 -15.672 19.861 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.967 -16.477 20.641 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.585 -14.204 19.809 1.00 0.00 C ATOM 0 H LEU A 40 -2.581 -17.523 16.396 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.702 -18.264 18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.175 -16.088 17.911 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.876 -15.666 17.881 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.976 -15.754 20.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.889 -16.085 21.655 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.269 -17.524 20.679 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.000 -16.397 20.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.506 -13.812 20.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.619 -14.122 19.312 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.328 -13.630 19.255 1.00 0.00 H new ATOM 275 N MET A 41 -4.898 -17.487 18.644 1.00 0.00 N ATOM 276 CA MET A 41 -6.205 -17.599 19.281 1.00 0.00 C ATOM 277 C MET A 41 -6.583 -19.065 19.455 1.00 0.00 C ATOM 278 O MET A 41 -7.296 -19.426 20.392 1.00 0.00 O ATOM 279 CB MET A 41 -7.262 -16.886 18.440 1.00 0.00 C ATOM 280 CG MET A 41 -6.970 -15.384 18.413 1.00 0.00 C ATOM 281 SD MET A 41 -7.092 -14.708 20.088 1.00 0.00 S ATOM 282 CE MET A 41 -8.891 -14.825 20.249 1.00 0.00 C ATOM 0 H MET A 41 -4.917 -17.088 17.706 1.00 0.00 H new ATOM 0 HA MET A 41 -6.156 -17.129 20.263 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.264 -17.285 17.425 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.254 -17.066 18.855 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.973 -15.205 18.010 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.676 -14.878 17.754 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.277 -13.907 20.692 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.336 -14.968 19.264 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.145 -15.671 20.888 1.00 0.00 H new ATOM 292 N ARG A 42 -6.109 -19.903 18.543 1.00 0.00 N ATOM 293 CA ARG A 42 -6.407 -21.327 18.605 1.00 0.00 C ATOM 294 C ARG A 42 -5.794 -21.951 19.851 1.00 0.00 C ATOM 295 O ARG A 42 -6.184 -23.045 20.264 1.00 0.00 O ATOM 296 CB ARG A 42 -5.871 -22.037 17.354 1.00 0.00 C ATOM 297 CG ARG A 42 -6.952 -22.075 16.267 1.00 0.00 C ATOM 298 CD ARG A 42 -6.664 -23.223 15.309 1.00 0.00 C ATOM 299 NE ARG A 42 -5.352 -23.057 14.685 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.229 -22.744 13.400 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.044 -22.601 12.873 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.295 -22.580 12.664 1.00 0.00 N ATOM 0 H ARG A 42 -5.521 -19.624 17.757 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.490 -21.446 18.649 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.988 -21.518 16.982 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.562 -23.051 17.606 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.935 -22.203 16.720 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.971 -21.130 15.724 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.699 -24.170 15.847 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.436 -23.264 14.540 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.512 -23.184 15.249 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.211 -22.730 13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.950 -22.361 11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.221 -22.692 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.201 -22.340 11.677 1.00 0.00 H new ATOM 316 N LEU A 43 -4.831 -21.257 20.439 1.00 0.00 N ATOM 317 CA LEU A 43 -4.173 -21.747 21.643 1.00 0.00 C ATOM 318 C LEU A 43 -4.825 -21.170 22.892 1.00 0.00 C ATOM 319 O LEU A 43 -4.956 -21.853 23.909 1.00 0.00 O ATOM 320 CB LEU A 43 -2.688 -21.378 21.615 1.00 0.00 C ATOM 321 CG LEU A 43 -1.912 -22.425 20.811 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.456 -21.983 20.675 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.970 -23.780 21.537 1.00 0.00 C ATOM 0 H LEU A 43 -4.488 -20.356 20.105 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.276 -22.832 21.671 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.557 -20.392 21.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.298 -21.323 22.631 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.357 -22.526 19.821 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.098 -22.727 20.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.414 -21.024 20.159 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.012 -21.883 21.665 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.417 -24.524 20.963 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.525 -23.681 22.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.009 -24.096 21.635 1.00 0.00 H new ATOM 335 N VAL A 44 -5.225 -19.907 22.810 1.00 0.00 N ATOM 336 CA VAL A 44 -5.861 -19.245 23.942 1.00 0.00 C ATOM 337 C VAL A 44 -7.174 -19.935 24.301 1.00 0.00 C ATOM 338 O VAL A 44 -7.448 -20.199 25.471 1.00 0.00 O ATOM 339 CB VAL A 44 -6.126 -17.775 23.604 1.00 0.00 C ATOM 340 CG1 VAL A 44 -7.139 -17.191 24.596 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.814 -16.988 23.696 1.00 0.00 C ATOM 0 H VAL A 44 -5.122 -19.325 21.979 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.190 -19.305 24.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.527 -17.704 22.593 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.325 -16.145 24.353 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.073 -17.750 24.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.740 -17.263 25.608 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.000 -15.941 23.456 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.415 -17.063 24.708 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.093 -17.400 22.990 1.00 0.00 H new ATOM 351 N VAL A 45 -7.980 -20.219 23.286 1.00 0.00 N ATOM 352 CA VAL A 45 -9.263 -20.877 23.499 1.00 0.00 C ATOM 353 C VAL A 45 -9.054 -22.283 24.050 1.00 0.00 C ATOM 354 O VAL A 45 -9.778 -22.727 24.940 1.00 0.00 O ATOM 355 CB VAL A 45 -10.047 -20.940 22.190 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.257 -21.858 22.363 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.528 -19.533 21.818 1.00 0.00 C ATOM 0 H VAL A 45 -7.770 -20.005 22.311 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.833 -20.298 24.225 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.404 -21.329 21.400 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.816 -21.903 21.429 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.919 -22.859 22.632 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.900 -21.468 23.152 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.088 -19.575 20.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.171 -19.147 22.609 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.668 -18.875 21.696 1.00 0.00 H new ATOM 367 N ARG A 46 -8.068 -22.983 23.501 1.00 0.00 N ATOM 368 CA ARG A 46 -7.775 -24.344 23.934 1.00 0.00 C ATOM 369 C ARG A 46 -7.274 -24.348 25.374 1.00 0.00 C ATOM 370 O ARG A 46 -7.215 -25.393 26.021 1.00 0.00 O ATOM 371 CB ARG A 46 -6.723 -24.972 23.017 1.00 0.00 C ATOM 372 CG ARG A 46 -6.501 -26.432 23.416 1.00 0.00 C ATOM 373 CD ARG A 46 -5.549 -27.095 22.422 1.00 0.00 C ATOM 374 NE ARG A 46 -5.452 -28.525 22.694 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.674 -29.312 21.959 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.603 -30.589 22.222 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.981 -28.809 20.974 1.00 0.00 N ATOM 0 H ARG A 46 -7.461 -22.633 22.760 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.693 -24.930 23.880 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.050 -24.914 21.979 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.787 -24.418 23.088 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.087 -26.486 24.423 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.452 -26.964 23.434 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.905 -26.934 21.404 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.562 -26.637 22.491 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.990 -28.927 23.461 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.145 -30.982 22.992 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.006 -31.193 21.658 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.037 -27.811 20.768 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.384 -29.413 20.410 1.00 0.00 H new ATOM 391 N HIS A 47 -6.909 -23.172 25.872 1.00 0.00 N ATOM 392 CA HIS A 47 -6.411 -23.051 27.240 1.00 0.00 C ATOM 393 C HIS A 47 -7.159 -21.954 27.989 1.00 0.00 C ATOM 394 O HIS A 47 -6.611 -21.320 28.889 1.00 0.00 O ATOM 395 CB HIS A 47 -4.915 -22.734 27.221 1.00 0.00 C ATOM 396 CG HIS A 47 -4.168 -23.877 26.590 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.969 -23.963 25.221 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.565 -24.988 27.126 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.273 -25.089 24.981 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.001 -25.752 26.109 1.00 0.00 N ATOM 0 H HIS A 47 -6.947 -22.294 25.355 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.576 -23.998 27.753 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.734 -21.815 26.663 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.555 -22.567 28.236 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.292 -23.294 24.522 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.533 -25.232 28.178 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.971 -25.417 23.997 1.00 0.00 H new ATOM 407 N LYS A 48 -8.414 -21.735 27.612 1.00 0.00 N ATOM 408 CA LYS A 48 -9.227 -20.710 28.257 1.00 0.00 C ATOM 409 C LYS A 48 -9.598 -21.133 29.674 1.00 0.00 C ATOM 410 O LYS A 48 -9.789 -20.294 30.554 1.00 0.00 O ATOM 411 CB LYS A 48 -10.495 -20.464 27.441 1.00 0.00 C ATOM 412 CG LYS A 48 -11.342 -21.741 27.416 1.00 0.00 C ATOM 413 CD LYS A 48 -12.548 -21.538 26.496 1.00 0.00 C ATOM 414 CE LYS A 48 -13.383 -22.819 26.458 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.557 -22.619 25.563 1.00 0.00 N ATOM 0 H LYS A 48 -8.888 -22.249 26.869 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.647 -19.789 28.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.067 -19.644 27.876 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.235 -20.168 26.425 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.742 -22.581 27.066 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.677 -21.987 28.424 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.155 -20.706 26.853 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.213 -21.280 25.491 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.776 -23.651 26.100 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.718 -23.078 27.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.365 -23.167 25.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.807 -21.610 25.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.320 -22.941 24.603 1.00 0.00 H new ATOM 429 N HIS A 49 -9.700 -22.441 29.887 1.00 0.00 N ATOM 430 CA HIS A 49 -10.046 -22.967 31.202 1.00 0.00 C ATOM 431 C HIS A 49 -8.914 -22.722 32.195 1.00 0.00 C ATOM 432 O HIS A 49 -9.153 -22.391 33.356 1.00 0.00 O ATOM 433 CB HIS A 49 -10.332 -24.467 31.109 1.00 0.00 C ATOM 434 CG HIS A 49 -11.667 -24.684 30.452 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.946 -24.672 30.950 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -11.790 -24.957 29.099 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -13.850 -24.932 29.924 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -13.101 -25.096 28.830 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.549 -23.152 29.171 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.939 -22.450 31.553 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.548 -24.962 30.536 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.328 -24.911 32.104 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.980 -25.043 28.389 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.926 -24.989 29.997 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.477 -25.301 27.904 1.00 0.00 H new ATOM 445 N GLU A 50 -7.680 -22.897 31.731 1.00 0.00 N ATOM 446 CA GLU A 50 -6.518 -22.701 32.589 1.00 0.00 C ATOM 447 C GLU A 50 -6.470 -21.271 33.112 1.00 0.00 C ATOM 448 O GLU A 50 -6.628 -20.316 32.352 1.00 0.00 O ATOM 449 CB GLU A 50 -5.236 -23.006 31.810 1.00 0.00 C ATOM 450 CG GLU A 50 -5.170 -24.502 31.499 1.00 0.00 C ATOM 451 CD GLU A 50 -3.935 -24.805 30.657 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.218 -23.872 30.336 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.725 -25.966 30.345 1.00 0.00 O ATOM 0 H GLU A 50 -7.461 -23.172 30.774 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.599 -23.381 33.437 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.215 -22.430 30.885 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.364 -22.706 32.392 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.137 -25.074 32.426 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.069 -24.811 30.966 1.00 0.00 H new ATOM 567 N SER A 57 -0.588 -13.215 35.079 1.00 0.00 N ATOM 568 CA SER A 57 0.311 -13.362 33.941 1.00 0.00 C ATOM 569 C SER A 57 0.609 -14.834 33.675 1.00 0.00 C ATOM 570 O SER A 57 0.882 -15.225 32.541 1.00 0.00 O ATOM 571 CB SER A 57 1.620 -12.620 34.210 1.00 0.00 C ATOM 572 OG SER A 57 2.467 -12.736 33.073 1.00 0.00 O ATOM 0 HA SER A 57 -0.177 -12.937 33.064 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.419 -11.570 34.423 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.113 -13.035 35.089 1.00 0.00 H new ATOM 0 HG SER A 57 3.307 -12.260 33.241 1.00 0.00 H new ATOM 578 N GLU A 58 0.560 -15.646 34.725 1.00 0.00 N ATOM 579 CA GLU A 58 0.834 -17.071 34.584 1.00 0.00 C ATOM 580 C GLU A 58 0.131 -17.636 33.355 1.00 0.00 C ATOM 581 O GLU A 58 0.572 -18.630 32.778 1.00 0.00 O ATOM 582 CB GLU A 58 0.371 -17.822 35.833 1.00 0.00 C ATOM 583 CG GLU A 58 0.731 -19.303 35.700 1.00 0.00 C ATOM 584 CD GLU A 58 0.454 -20.027 37.011 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.129 -19.413 37.890 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.828 -21.183 37.120 1.00 0.00 O ATOM 0 H GLU A 58 0.336 -15.346 35.674 1.00 0.00 H new ATOM 0 HA GLU A 58 1.909 -17.202 34.463 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.843 -17.400 36.720 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.706 -17.708 35.961 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.151 -19.756 34.896 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.783 -19.407 35.433 1.00 0.00 H new ATOM 593 N PHE A 59 -0.964 -16.996 32.959 1.00 0.00 N ATOM 594 CA PHE A 59 -1.719 -17.445 31.796 1.00 0.00 C ATOM 595 C PHE A 59 -1.043 -16.988 30.506 1.00 0.00 C ATOM 596 O PHE A 59 -0.541 -17.804 29.734 1.00 0.00 O ATOM 597 CB PHE A 59 -3.144 -16.890 31.853 1.00 0.00 C ATOM 598 CG PHE A 59 -3.865 -17.224 30.571 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.031 -18.561 30.190 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.371 -16.198 29.763 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.702 -18.872 29.002 1.00 0.00 C ATOM 602 CE2 PHE A 59 -5.042 -16.510 28.575 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.208 -17.847 28.194 1.00 0.00 C ATOM 0 H PHE A 59 -1.346 -16.171 33.422 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.752 -18.534 31.807 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.677 -17.314 32.704 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.120 -15.810 31.998 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.641 -19.352 30.813 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.243 -15.167 30.057 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.830 -19.903 28.708 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.432 -15.719 27.952 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.726 -18.087 27.277 1.00 0.00 H new ATOM 613 N TYR A 60 -1.036 -15.680 30.281 1.00 0.00 N ATOM 614 CA TYR A 60 -0.427 -15.124 29.081 1.00 0.00 C ATOM 615 C TYR A 60 1.037 -15.550 28.982 1.00 0.00 C ATOM 616 O TYR A 60 1.583 -15.682 27.886 1.00 0.00 O ATOM 617 CB TYR A 60 -0.516 -13.601 29.117 1.00 0.00 C ATOM 618 CG TYR A 60 -1.946 -13.177 29.320 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.407 -12.883 30.609 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.816 -13.081 28.227 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.737 -12.493 30.805 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.146 -12.691 28.423 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.607 -12.397 29.712 1.00 0.00 C ATOM 624 OH TYR A 60 -5.916 -12.011 29.904 1.00 0.00 O ATOM 0 H TYR A 60 -1.443 -14.988 30.910 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.963 -15.500 28.209 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.106 -13.210 29.922 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.132 -13.183 28.186 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.736 -12.957 31.452 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.461 -13.308 27.233 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.092 -12.266 31.799 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.817 -12.617 27.580 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.382 -11.995 29.042 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.763 30.133 1.00 0.00 N ATOM 635 CA ALA A 61 3.063 -16.178 30.166 1.00 0.00 C ATOM 636 C ALA A 61 3.217 -17.595 29.622 1.00 0.00 C ATOM 637 O ALA A 61 4.304 -17.999 29.210 1.00 0.00 O ATOM 638 CB ALA A 61 3.594 -16.117 31.599 1.00 0.00 C ATOM 0 H ALA A 61 1.232 -15.656 31.050 1.00 0.00 H new ATOM 0 HA ALA A 61 3.638 -15.497 29.538 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.638 -16.429 31.614 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.515 -15.096 31.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.008 -16.783 32.233 1.00 0.00 H new ATOM 644 N LYS A 62 2.122 -18.349 29.631 1.00 0.00 N ATOM 645 CA LYS A 62 2.146 -19.719 29.136 1.00 0.00 C ATOM 646 C LYS A 62 1.786 -19.762 27.655 1.00 0.00 C ATOM 647 O LYS A 62 2.315 -20.578 26.900 1.00 0.00 O ATOM 648 CB LYS A 62 1.163 -20.579 29.930 1.00 0.00 C ATOM 649 CG LYS A 62 1.606 -22.043 29.882 1.00 0.00 C ATOM 650 CD LYS A 62 0.698 -22.887 30.781 1.00 0.00 C ATOM 651 CE LYS A 62 1.094 -22.691 32.247 1.00 0.00 C ATOM 652 NZ LYS A 62 0.449 -23.743 33.079 1.00 0.00 N ATOM 0 H LYS A 62 1.213 -18.036 29.973 1.00 0.00 H new ATOM 0 HA LYS A 62 3.155 -20.113 29.262 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.117 -20.236 30.964 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.160 -20.478 29.516 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.564 -22.412 28.857 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.642 -22.130 30.210 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.343 -22.600 30.634 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.779 -23.940 30.510 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.178 -22.742 32.352 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.787 -21.703 32.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.717 -23.611 34.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.585 -23.673 32.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.763 -24.681 32.757 1.00 0.00 H new ATOM 666 N ILE A 63 0.872 -18.886 27.249 1.00 0.00 N ATOM 667 CA ILE A 63 0.441 -18.845 25.855 1.00 0.00 C ATOM 668 C ILE A 63 1.606 -18.481 24.944 1.00 0.00 C ATOM 669 O ILE A 63 1.834 -19.135 23.926 1.00 0.00 O ATOM 670 CB ILE A 63 -0.673 -17.806 25.690 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.897 -18.237 26.504 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.058 -17.698 24.212 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.373 -19.618 26.043 1.00 0.00 C ATOM 0 H ILE A 63 0.420 -18.203 27.857 1.00 0.00 H new ATOM 0 HA ILE A 63 0.071 -19.832 25.578 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.321 -16.838 26.045 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.647 -18.265 27.565 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.699 -17.508 26.384 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.850 -16.959 24.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.188 -17.392 23.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.410 -18.666 23.856 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.244 -19.916 26.627 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.641 -19.577 24.987 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.573 -20.345 26.186 1.00 0.00 H new ATOM 685 N ALA A 64 2.348 -17.448 25.321 1.00 0.00 N ATOM 686 CA ALA A 64 3.494 -17.017 24.527 1.00 0.00 C ATOM 687 C ALA A 64 4.592 -18.073 24.554 1.00 0.00 C ATOM 688 O ALA A 64 5.511 -18.044 23.736 1.00 0.00 O ATOM 689 CB ALA A 64 4.036 -15.692 25.073 1.00 0.00 C ATOM 0 H ALA A 64 2.181 -16.897 26.163 1.00 0.00 H new ATOM 0 HA ALA A 64 3.169 -16.878 23.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.891 -15.375 24.476 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.257 -14.932 25.022 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.346 -15.825 26.109 1.00 0.00 H new ATOM 695 N ARG A 65 4.497 -18.991 25.507 1.00 0.00 N ATOM 696 CA ARG A 65 5.491 -20.049 25.634 1.00 0.00 C ATOM 697 C ARG A 65 5.189 -21.188 24.666 1.00 0.00 C ATOM 698 O ARG A 65 6.080 -21.689 23.982 1.00 0.00 O ATOM 699 CB ARG A 65 5.510 -20.580 27.067 1.00 0.00 C ATOM 700 CG ARG A 65 6.617 -21.626 27.210 1.00 0.00 C ATOM 701 CD ARG A 65 6.621 -22.173 28.638 1.00 0.00 C ATOM 702 NE ARG A 65 7.028 -21.134 29.576 1.00 0.00 N ATOM 703 CZ ARG A 65 7.090 -21.372 30.882 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.457 -20.426 31.702 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.783 -22.553 31.345 1.00 0.00 N ATOM 0 H ARG A 65 3.748 -19.025 26.199 1.00 0.00 H new ATOM 0 HA ARG A 65 6.469 -19.634 25.391 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.676 -19.761 27.767 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.545 -21.021 27.315 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.459 -22.437 26.499 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.584 -21.181 26.977 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.627 -22.538 28.898 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.301 -23.022 28.708 1.00 0.00 H new ATOM 0 HE ARG A 65 7.270 -20.208 29.224 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.697 -19.503 31.341 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.504 -20.610 32.704 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.496 -23.293 30.705 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.831 -22.736 32.347 1.00 0.00 H new ATOM 719 N ILE A 66 3.925 -21.596 24.621 1.00 0.00 N ATOM 720 CA ILE A 66 3.510 -22.677 23.735 1.00 0.00 C ATOM 721 C ILE A 66 3.265 -22.151 22.326 1.00 0.00 C ATOM 722 O ILE A 66 3.251 -22.912 21.365 1.00 0.00 O ATOM 723 CB ILE A 66 2.239 -23.335 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.544 -24.021 25.605 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.740 -24.376 23.267 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.235 -24.445 26.272 1.00 0.00 C ATOM 0 H ILE A 66 3.174 -21.197 25.184 1.00 0.00 H new ATOM 0 HA ILE A 66 4.309 -23.418 23.697 1.00 0.00 H new ATOM 0 HB ILE A 66 1.472 -22.575 24.419 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.180 -24.891 25.441 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.094 -23.343 26.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.834 -24.845 23.650 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.523 -23.890 22.316 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.507 -25.136 23.119 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.452 -24.933 27.222 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.616 -23.566 26.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.703 -25.138 25.621 1.00 0.00 H new ATOM 738 N GLY A 67 3.064 -20.844 22.213 1.00 0.00 N ATOM 739 CA GLY A 67 2.814 -20.228 20.914 1.00 0.00 C ATOM 740 C GLY A 67 4.112 -20.078 20.128 1.00 0.00 C ATOM 741 O GLY A 67 4.100 -19.856 18.924 1.00 0.00 O ATOM 0 H GLY A 67 3.069 -20.193 22.998 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.109 -20.836 20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.352 -19.250 21.053 1.00 0.00 H new ATOM 745 N TYR A 68 5.236 -20.192 20.819 1.00 0.00 N ATOM 746 CA TYR A 68 6.539 -20.068 20.170 1.00 0.00 C ATOM 747 C TYR A 68 7.284 -21.396 20.208 1.00 0.00 C ATOM 748 O TYR A 68 8.349 -21.538 19.607 1.00 0.00 O ATOM 749 CB TYR A 68 7.369 -18.990 20.868 1.00 0.00 C ATOM 750 CG TYR A 68 8.796 -19.060 20.380 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.096 -18.753 19.048 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.819 -19.431 21.261 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.420 -18.818 18.596 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.142 -19.496 20.809 1.00 0.00 C ATOM 755 CZ TYR A 68 11.443 -19.189 19.477 1.00 0.00 C ATOM 756 OH TYR A 68 12.748 -19.252 19.031 1.00 0.00 O ATOM 0 H TYR A 68 5.276 -20.369 21.823 1.00 0.00 H new ATOM 0 HA TYR A 68 6.382 -19.785 19.129 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.951 -18.004 20.663 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.335 -19.132 21.948 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.307 -18.466 18.369 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.587 -19.667 22.289 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.652 -18.582 17.568 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.931 -19.783 21.488 1.00 0.00 H new ATOM 0 HH TYR A 68 13.333 -19.524 19.769 1.00 0.00 H new ATOM 766 N GLU A 69 6.723 -22.366 20.922 1.00 0.00 N ATOM 767 CA GLU A 69 7.346 -23.681 21.034 1.00 0.00 C ATOM 768 C GLU A 69 6.543 -24.722 20.265 1.00 0.00 C ATOM 769 O GLU A 69 6.863 -25.910 20.294 1.00 0.00 O ATOM 770 CB GLU A 69 7.442 -24.089 22.505 1.00 0.00 C ATOM 771 CG GLU A 69 8.444 -23.183 23.223 1.00 0.00 C ATOM 772 CD GLU A 69 8.482 -23.521 24.709 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.767 -24.426 25.108 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.224 -22.871 25.426 1.00 0.00 O ATOM 0 H GLU A 69 5.843 -22.268 21.429 1.00 0.00 H new ATOM 0 HA GLU A 69 8.347 -23.626 20.607 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.463 -24.013 22.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.755 -25.130 22.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.436 -23.307 22.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.165 -22.138 23.086 1.00 0.00 H new ATOM 781 N ASP A 70 5.498 -24.269 19.578 1.00 0.00 N ATOM 782 CA ASP A 70 4.655 -25.173 18.802 1.00 0.00 C ATOM 783 C ASP A 70 4.191 -24.500 17.515 1.00 0.00 C ATOM 784 O ASP A 70 4.244 -25.094 16.439 1.00 0.00 O ATOM 785 CB ASP A 70 3.438 -25.593 19.630 1.00 0.00 C ATOM 786 CG ASP A 70 3.858 -26.579 20.716 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.943 -27.126 20.602 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.091 -26.772 21.645 1.00 0.00 O ATOM 0 H ASP A 70 5.216 -23.289 19.543 1.00 0.00 H new ATOM 0 HA ASP A 70 5.241 -26.056 18.546 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.976 -24.716 20.083 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.688 -26.049 18.984 1.00 0.00 H new ATOM 793 N GLU A 71 3.731 -23.258 17.635 1.00 0.00 N ATOM 794 CA GLU A 71 3.255 -22.517 16.473 1.00 0.00 C ATOM 795 C GLU A 71 4.418 -21.828 15.767 1.00 0.00 C ATOM 796 O GLU A 71 4.326 -21.487 14.588 1.00 0.00 O ATOM 797 CB GLU A 71 2.228 -21.472 16.910 1.00 0.00 C ATOM 798 CG GLU A 71 1.046 -22.159 17.592 1.00 0.00 C ATOM 799 CD GLU A 71 0.284 -23.027 16.594 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.588 -22.934 15.416 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.590 -23.765 17.017 1.00 0.00 O ATOM 0 H GLU A 71 3.678 -22.748 18.517 1.00 0.00 H new ATOM 0 HA GLU A 71 2.789 -23.218 15.780 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.690 -20.759 17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.882 -20.906 16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.402 -22.773 18.419 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.377 -21.410 18.016 1.00 0.00 H new ATOM 808 N GLY A 72 5.511 -21.627 16.495 1.00 0.00 N ATOM 809 CA GLY A 72 6.686 -20.979 15.924 1.00 0.00 C ATOM 810 C GLY A 72 6.330 -19.613 15.352 1.00 0.00 C ATOM 811 O GLY A 72 6.754 -19.261 14.251 1.00 0.00 O ATOM 0 H GLY A 72 5.608 -21.901 17.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.453 -20.868 16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.108 -21.607 15.139 1.00 0.00 H new ATOM 893 N GLU A 78 5.558 -11.587 27.872 1.00 0.00 N ATOM 894 CA GLU A 78 4.389 -11.526 28.744 1.00 0.00 C ATOM 895 C GLU A 78 3.532 -10.318 28.385 1.00 0.00 C ATOM 896 O GLU A 78 2.379 -10.461 27.977 1.00 0.00 O ATOM 897 CB GLU A 78 4.835 -11.432 30.204 1.00 0.00 C ATOM 898 CG GLU A 78 5.508 -12.744 30.615 1.00 0.00 C ATOM 899 CD GLU A 78 6.060 -12.625 32.031 1.00 0.00 C ATOM 900 OE1 GLU A 78 5.909 -11.565 32.617 1.00 0.00 O ATOM 901 OE2 GLU A 78 6.626 -13.594 32.509 1.00 0.00 O ATOM 0 HA GLU A 78 3.798 -12.432 28.608 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.527 -10.600 30.332 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.977 -11.234 30.846 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.790 -13.562 30.563 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.314 -12.982 29.921 1.00 0.00 H new ATOM 908 N SER A 79 4.112 -9.131 28.517 1.00 0.00 N ATOM 909 CA SER A 79 3.395 -7.906 28.190 1.00 0.00 C ATOM 910 C SER A 79 2.831 -7.990 26.774 1.00 0.00 C ATOM 911 O SER A 79 1.641 -7.761 26.558 1.00 0.00 O ATOM 912 CB SER A 79 4.355 -6.717 28.273 1.00 0.00 C ATOM 913 OG SER A 79 3.774 -5.598 27.618 1.00 0.00 O ATOM 0 H SER A 79 5.068 -8.992 28.845 1.00 0.00 H new ATOM 0 HA SER A 79 2.577 -7.776 28.898 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.563 -6.475 29.315 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.308 -6.971 27.808 1.00 0.00 H new ATOM 0 HG SER A 79 4.386 -4.834 27.671 1.00 0.00 H new ATOM 919 N ALA A 80 3.683 -8.338 25.817 1.00 0.00 N ATOM 920 CA ALA A 80 3.248 -8.456 24.428 1.00 0.00 C ATOM 921 C ALA A 80 2.101 -9.460 24.312 1.00 0.00 C ATOM 922 O ALA A 80 1.272 -9.365 23.408 1.00 0.00 O ATOM 923 CB ALA A 80 4.427 -8.903 23.548 1.00 0.00 C ATOM 0 H ALA A 80 4.670 -8.542 25.973 1.00 0.00 H new ATOM 0 HA ALA A 80 2.895 -7.483 24.088 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.096 -8.989 22.513 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.229 -8.167 23.613 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.793 -9.870 23.894 1.00 0.00 H new ATOM 929 N CYS A 81 2.070 -10.423 25.223 1.00 0.00 N ATOM 930 CA CYS A 81 1.029 -11.442 25.207 1.00 0.00 C ATOM 931 C CYS A 81 -0.303 -10.846 25.648 1.00 0.00 C ATOM 932 O CYS A 81 -1.349 -11.485 25.535 1.00 0.00 O ATOM 933 CB CYS A 81 1.413 -12.583 26.138 1.00 0.00 C ATOM 934 SG CYS A 81 3.148 -12.995 25.910 1.00 0.00 S ATOM 0 H CYS A 81 2.749 -10.520 25.978 1.00 0.00 H new ATOM 0 HA CYS A 81 0.925 -11.822 24.191 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.231 -12.297 27.174 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.792 -13.456 25.934 1.00 0.00 H new ATOM 0 HG CYS A 81 3.408 -13.092 24.640 1.00 0.00 H new ATOM 940 N ARG A 82 -0.257 -9.618 26.158 1.00 0.00 N ATOM 941 CA ARG A 82 -1.466 -8.944 26.614 1.00 0.00 C ATOM 942 C ARG A 82 -1.878 -7.865 25.626 1.00 0.00 C ATOM 943 O ARG A 82 -3.033 -7.484 25.578 1.00 0.00 O ATOM 944 CB ARG A 82 -1.231 -8.316 27.989 1.00 0.00 C ATOM 945 CG ARG A 82 -1.045 -9.422 29.029 1.00 0.00 C ATOM 946 CD ARG A 82 -0.798 -8.796 30.403 1.00 0.00 C ATOM 947 NE ARG A 82 0.495 -8.123 30.426 1.00 0.00 N ATOM 948 CZ ARG A 82 0.917 -7.483 31.512 1.00 0.00 C ATOM 949 NH1 ARG A 82 2.078 -6.888 31.508 1.00 0.00 N ATOM 950 NH2 ARG A 82 0.170 -7.450 32.581 1.00 0.00 N ATOM 0 H ARG A 82 0.599 -9.074 26.265 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.265 -9.682 26.686 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.350 -7.675 27.962 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.076 -7.684 28.261 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.930 -10.058 29.061 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.205 -10.059 28.752 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.591 -8.084 30.634 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.828 -9.567 31.173 1.00 0.00 H new ATOM 0 HE ARG A 82 1.086 -8.144 29.595 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.662 -6.914 30.672 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.402 -6.397 32.341 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.738 -7.915 32.583 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.494 -6.959 33.414 1.00 0.00 H new ATOM 964 N ASN A 83 -0.921 -7.374 24.849 1.00 0.00 N ATOM 965 CA ASN A 83 -1.201 -6.336 23.862 1.00 0.00 C ATOM 966 C ASN A 83 -1.688 -6.953 22.555 1.00 0.00 C ATOM 967 O ASN A 83 -2.669 -6.497 21.967 1.00 0.00 O ATOM 968 CB ASN A 83 0.058 -5.510 23.605 1.00 0.00 C ATOM 969 CG ASN A 83 0.584 -4.945 24.923 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.171 -4.353 25.693 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.845 -5.094 25.227 1.00 0.00 N ATOM 0 H ASN A 83 0.053 -7.676 24.882 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.985 -5.689 24.255 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.821 -6.130 23.134 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.164 -4.697 22.913 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.206 -4.719 26.104 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.469 -5.585 24.587 1.00 0.00 H new ATOM 978 N GLN A 84 -0.989 -7.989 22.102 1.00 0.00 N ATOM 979 CA GLN A 84 -1.354 -8.655 20.857 1.00 0.00 C ATOM 980 C GLN A 84 -2.783 -9.179 20.923 1.00 0.00 C ATOM 981 O GLN A 84 -3.638 -8.768 20.140 1.00 0.00 O ATOM 982 CB GLN A 84 -0.395 -9.824 20.596 1.00 0.00 C ATOM 983 CG GLN A 84 0.856 -9.314 19.889 1.00 0.00 C ATOM 984 CD GLN A 84 1.775 -8.617 20.883 1.00 0.00 C ATOM 985 OE1 GLN A 84 1.360 -7.674 21.557 1.00 0.00 O ATOM 986 NE2 GLN A 84 3.006 -9.028 21.019 1.00 0.00 N ATOM 0 H GLN A 84 -0.174 -8.382 22.573 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.284 -7.930 20.046 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.123 -10.301 21.538 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.887 -10.581 19.985 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.381 -10.145 19.418 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.577 -8.622 19.094 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.348 -9.809 20.459 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.627 -8.568 21.685 1.00 0.00 H new ATOM 995 N ILE A 85 -3.036 -10.076 21.868 1.00 0.00 N ATOM 996 CA ILE A 85 -4.367 -10.651 22.028 1.00 0.00 C ATOM 997 C ILE A 85 -5.398 -9.546 22.218 1.00 0.00 C ATOM 998 O ILE A 85 -6.500 -9.618 21.676 1.00 0.00 O ATOM 999 CB ILE A 85 -4.392 -11.585 23.236 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.542 -12.822 22.940 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.833 -12.012 23.520 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.343 -13.624 24.228 1.00 0.00 C ATOM 0 H ILE A 85 -2.342 -10.420 22.532 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.611 -11.217 21.129 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.989 -11.066 24.106 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.030 -13.440 22.186 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.576 -12.524 22.532 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.852 -12.679 24.382 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.439 -11.131 23.730 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.237 -12.531 22.651 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.737 -14.506 24.018 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.837 -13.004 24.968 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.313 -13.934 24.617 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.033 -8.521 22.976 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.936 -7.400 23.204 1.00 0.00 C ATOM 1016 C ILE A 86 -6.267 -6.693 21.895 1.00 0.00 C ATOM 1017 O ILE A 86 -7.413 -6.346 21.642 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.309 -6.401 24.194 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.713 -6.763 25.630 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.757 -4.970 23.872 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.340 -5.605 26.572 1.00 0.00 C ATOM 0 H ILE A 86 -4.128 -8.442 23.439 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.860 -7.792 23.629 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.224 -6.456 24.101 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.784 -6.957 25.680 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.209 -7.677 25.942 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.304 -4.278 24.582 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.443 -4.709 22.861 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.843 -4.904 23.944 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.626 -5.860 27.593 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.265 -5.433 26.529 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.865 -4.701 26.263 1.00 0.00 H new ATOM 1033 N SER A 87 -5.251 -6.448 21.088 1.00 0.00 N ATOM 1034 CA SER A 87 -5.453 -5.753 19.825 1.00 0.00 C ATOM 1035 C SER A 87 -6.446 -6.510 18.956 1.00 0.00 C ATOM 1036 O SER A 87 -7.346 -5.914 18.364 1.00 0.00 O ATOM 1037 CB SER A 87 -4.127 -5.633 19.091 1.00 0.00 C ATOM 1038 OG SER A 87 -4.383 -5.313 17.726 1.00 0.00 O ATOM 0 H SER A 87 -4.286 -6.716 21.280 1.00 0.00 H new ATOM 0 HA SER A 87 -5.850 -4.759 20.032 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.510 -4.860 19.550 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.571 -6.568 19.161 1.00 0.00 H new ATOM 0 HG SER A 87 -3.534 -5.232 17.244 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.281 -7.827 18.890 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.168 -8.657 18.094 1.00 0.00 C ATOM 1046 C ILE A 88 -8.618 -8.445 18.522 1.00 0.00 C ATOM 1047 O ILE A 88 -9.534 -8.591 17.731 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.802 -10.130 18.253 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.411 -10.372 17.665 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.822 -10.999 17.514 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.935 -11.778 18.033 1.00 0.00 C ATOM 0 H ILE A 88 -5.544 -8.337 19.377 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.057 -8.371 17.048 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.805 -10.390 19.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.439 -10.259 16.581 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.710 -9.629 18.045 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.557 -12.050 17.630 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.815 -10.827 17.929 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.822 -10.740 16.455 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.944 -11.948 17.613 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.891 -11.875 19.118 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.631 -12.515 17.631 1.00 0.00 H new ATOM 1063 N MET A 89 -8.819 -8.119 19.791 1.00 0.00 N ATOM 1064 CA MET A 89 -10.169 -7.897 20.306 1.00 0.00 C ATOM 1065 C MET A 89 -10.777 -6.630 19.713 1.00 0.00 C ATOM 1066 O MET A 89 -11.878 -6.655 19.163 1.00 0.00 O ATOM 1067 CB MET A 89 -10.127 -7.770 21.830 1.00 0.00 C ATOM 1068 CG MET A 89 -9.683 -9.097 22.444 1.00 0.00 C ATOM 1069 SD MET A 89 -10.913 -10.372 22.078 1.00 0.00 S ATOM 1070 CE MET A 89 -12.206 -9.761 23.187 1.00 0.00 C ATOM 0 H MET A 89 -8.075 -8.003 20.479 1.00 0.00 H new ATOM 0 HA MET A 89 -10.787 -8.749 20.021 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.439 -6.976 22.120 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.111 -7.494 22.209 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.712 -9.388 22.044 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.565 -8.990 23.522 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.851 -10.588 23.484 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.748 -9.322 24.073 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.799 -9.005 22.673 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.044 -5.526 19.811 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.524 -4.256 19.280 1.00 0.00 C ATOM 1082 C ARG A 90 -11.026 -4.436 17.852 1.00 0.00 C ATOM 1083 O ARG A 90 -12.055 -3.879 17.474 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.391 -3.223 19.303 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.833 -1.957 18.565 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.719 -0.913 18.612 1.00 0.00 C ATOM 1087 NE ARG A 90 -8.617 -0.341 19.946 1.00 0.00 N ATOM 1088 CZ ARG A 90 -8.022 0.831 20.146 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -7.945 1.326 21.351 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -7.515 1.486 19.138 1.00 0.00 N ATOM 0 H ARG A 90 -9.124 -5.485 20.249 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.347 -3.904 19.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.126 -2.982 20.333 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.499 -3.637 18.833 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.077 -2.195 17.530 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.738 -1.557 19.021 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.770 -1.371 18.332 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.919 -0.125 17.886 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.008 -0.847 20.740 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.341 0.814 22.139 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.489 2.225 21.505 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.575 1.099 18.196 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.059 2.385 19.292 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.293 -5.199 17.062 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.680 -5.433 15.676 1.00 0.00 C ATOM 1106 C VAL A 91 -11.949 -6.282 15.606 1.00 0.00 C ATOM 1107 O VAL A 91 -12.804 -6.074 14.750 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.528 -6.134 14.939 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.180 -5.498 15.360 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.521 -7.646 15.268 1.00 0.00 C ATOM 0 H VAL A 91 -9.433 -5.665 17.350 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.888 -4.476 15.198 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.668 -6.011 13.865 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.364 -5.996 14.837 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.182 -4.438 15.104 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.044 -5.612 16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.700 -8.130 14.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.393 -7.784 16.342 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.466 -8.091 14.955 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.035 -7.273 16.499 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.164 -8.177 16.525 1.00 0.00 C ATOM 1122 C TYR A 92 -14.423 -7.407 16.856 1.00 0.00 C ATOM 1123 O TYR A 92 -15.464 -7.640 16.267 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.937 -9.286 17.556 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.192 -10.115 17.683 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.517 -11.055 16.698 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.032 -9.940 18.789 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.683 -11.821 16.819 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.198 -10.706 18.910 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.523 -11.646 17.925 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.673 -12.400 18.044 1.00 0.00 O ATOM 0 H TYR A 92 -11.329 -7.461 17.211 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.272 -8.637 15.543 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.101 -9.916 17.251 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.675 -8.853 18.521 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.869 -11.189 15.845 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.781 -9.215 19.549 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.934 -12.546 16.059 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.846 -10.572 19.763 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.141 -12.155 18.869 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.313 -6.488 17.809 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.456 -5.679 18.217 1.00 0.00 C ATOM 1143 C GLU A 93 -15.794 -4.643 17.151 1.00 0.00 C ATOM 1144 O GLU A 93 -16.963 -4.339 16.913 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.155 -4.979 19.542 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.941 -6.027 20.637 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.249 -6.759 20.925 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.270 -6.327 20.417 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.209 -7.740 21.649 1.00 0.00 O ATOM 0 H GLU A 93 -13.449 -6.285 18.311 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.315 -6.338 18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.267 -4.355 19.442 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.979 -4.319 19.812 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.177 -6.740 20.325 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.577 -5.546 21.545 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.760 -4.099 16.516 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.960 -3.095 15.478 1.00 0.00 C ATOM 1158 C GLN A 94 -15.684 -3.692 14.278 1.00 0.00 C ATOM 1159 O GLN A 94 -16.715 -3.178 13.844 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.610 -2.526 15.030 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.178 -1.410 15.984 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.913 -0.738 15.460 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -10.940 -0.466 16.286 1.00 0.00 O flip ATOM 1164 NE2 GLN A 94 -11.809 -0.453 14.267 1.00 0.00 N flip ATOM 0 H GLN A 94 -13.785 -4.334 16.700 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.573 -2.295 15.893 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.859 -3.316 15.015 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.687 -2.139 14.014 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.977 -0.675 16.082 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.997 -1.819 16.978 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.571 -0.667 13.623 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.961 -0.003 13.922 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.141 -4.782 13.749 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.743 -5.444 12.597 1.00 0.00 C ATOM 1175 C ARG A 95 -17.050 -6.124 12.997 1.00 0.00 C ATOM 1176 O ARG A 95 -17.815 -6.575 12.145 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.773 -6.476 12.019 1.00 0.00 C ATOM 1178 CG ARG A 95 -15.366 -7.078 10.744 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.320 -7.956 10.059 1.00 0.00 C ATOM 1180 NE ARG A 95 -13.219 -7.136 9.568 1.00 0.00 N ATOM 1181 CZ ARG A 95 -12.112 -7.690 9.086 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -11.139 -6.935 8.653 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -11.996 -8.989 9.047 1.00 0.00 N ATOM 0 H ARG A 95 -14.290 -5.224 14.096 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.958 -4.693 11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -13.814 -6.006 11.800 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.583 -7.262 12.750 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.250 -7.668 10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.687 -6.284 10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.944 -8.701 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -14.776 -8.499 9.231 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.300 -6.120 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.229 -5.919 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.289 -7.361 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.755 -9.579 9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.146 -9.414 8.677 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.297 -6.197 14.298 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.518 -6.815 14.803 1.00 0.00 C ATOM 1199 C LEU A 96 -19.695 -5.854 14.706 1.00 0.00 C ATOM 1200 O LEU A 96 -20.827 -6.267 14.463 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.326 -7.255 16.253 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.641 -7.792 16.810 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.149 -8.925 15.918 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.413 -8.323 18.227 1.00 0.00 C ATOM 0 H LEU A 96 -16.673 -5.838 15.020 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.734 -7.689 14.188 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.556 -8.024 16.310 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.982 -6.414 16.855 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.380 -6.991 16.835 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.088 -9.308 16.316 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.310 -8.549 14.908 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.411 -9.727 15.893 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.351 -8.707 18.627 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.675 -9.124 18.201 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.050 -7.516 18.864 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.423 -4.573 14.922 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.471 -3.563 14.871 1.00 0.00 C ATOM 1218 C ALA A 97 -20.723 -3.128 13.432 1.00 0.00 C ATOM 1219 O ALA A 97 -21.827 -2.709 13.084 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.065 -2.345 15.706 1.00 0.00 C ATOM 0 H ALA A 97 -18.493 -4.211 15.133 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.386 -3.995 15.277 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.854 -1.595 15.662 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.910 -2.649 16.741 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.141 -1.924 15.309 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.691 -3.224 12.601 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.814 -2.825 11.204 1.00 0.00 C ATOM 1228 C HIS A 98 -20.952 -3.578 10.525 1.00 0.00 C ATOM 1229 O HIS A 98 -21.904 -2.967 10.041 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.500 -3.113 10.465 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.576 -1.933 10.594 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -16.757 -1.754 11.698 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.334 -0.862 9.770 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.067 -0.614 11.510 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.381 -0.030 10.350 1.00 0.00 N ATOM 0 H HIS A 98 -18.769 -3.571 12.866 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.031 -1.757 11.169 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -18.027 -4.004 10.878 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.700 -3.317 9.413 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -16.690 -2.373 12.506 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.811 -0.691 8.816 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.347 -0.219 12.211 1.00 0.00 H new ATOM 1343 N THR A 105 -17.852 -13.335 2.482 1.00 0.00 N ATOM 1344 CA THR A 105 -17.650 -14.350 3.509 1.00 0.00 C ATOM 1345 C THR A 105 -16.393 -15.164 3.218 1.00 0.00 C ATOM 1346 O THR A 105 -16.127 -15.523 2.071 1.00 0.00 O ATOM 1347 CB THR A 105 -18.862 -15.283 3.569 1.00 0.00 C ATOM 1348 OG1 THR A 105 -19.066 -15.873 2.293 1.00 0.00 O ATOM 1349 CG2 THR A 105 -20.103 -14.484 3.969 1.00 0.00 C ATOM 0 HA THR A 105 -17.531 -13.849 4.469 1.00 0.00 H new ATOM 0 HB THR A 105 -18.684 -16.065 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 105 -18.776 -15.250 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.966 -15.149 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.945 -14.032 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 105 -20.284 -13.701 3.233 1.00 0.00 H new ATOM 1357 N THR A 106 -15.623 -15.453 4.263 1.00 0.00 N ATOM 1358 CA THR A 106 -14.395 -16.227 4.106 1.00 0.00 C ATOM 1359 C THR A 106 -14.252 -17.234 5.251 1.00 0.00 C ATOM 1360 O THR A 106 -14.764 -17.013 6.345 1.00 0.00 O ATOM 1361 CB THR A 106 -13.188 -15.284 4.082 1.00 0.00 C ATOM 1362 OG1 THR A 106 -12.809 -14.972 5.410 1.00 0.00 O ATOM 1363 CG2 THR A 106 -13.554 -14.001 3.335 1.00 0.00 C ATOM 0 H THR A 106 -15.825 -15.166 5.221 1.00 0.00 H new ATOM 0 HA THR A 106 -14.440 -16.774 3.165 1.00 0.00 H new ATOM 0 HB THR A 106 -12.356 -15.770 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.853 -14.758 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.694 -13.331 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 106 -13.843 -14.245 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 106 -14.386 -13.511 3.840 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.581 -18.334 5.020 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.391 -19.380 6.066 1.00 0.00 C ATOM 1373 C PRO A 107 -12.402 -18.948 7.147 1.00 0.00 C ATOM 1374 O PRO A 107 -12.588 -19.247 8.327 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.858 -20.582 5.284 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.215 -20.014 4.063 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.932 -18.704 3.752 1.00 0.00 C ATOM 0 HA PRO A 107 -14.315 -19.591 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.140 -21.149 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.664 -21.266 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.152 -19.842 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.297 -20.707 3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.232 -17.935 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.663 -18.831 2.953 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.351 -18.247 6.735 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.340 -17.784 7.678 1.00 0.00 C ATOM 1387 C GLU A 108 -10.918 -16.725 8.609 1.00 0.00 C ATOM 1388 O GLU A 108 -10.773 -16.810 9.828 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.146 -17.200 6.919 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.447 -18.308 6.125 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.106 -18.469 4.759 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.106 -17.810 4.525 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.601 -19.247 3.967 1.00 0.00 O ATOM 0 H GLU A 108 -11.178 -17.989 5.764 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.012 -18.635 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.482 -16.412 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.446 -16.744 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.391 -18.067 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.498 -19.248 6.675 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.579 -15.731 8.027 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.175 -14.659 8.817 1.00 0.00 C ATOM 1402 C GLU A 109 -13.265 -15.218 9.729 1.00 0.00 C ATOM 1403 O GLU A 109 -13.477 -14.722 10.835 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.766 -13.592 7.887 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.191 -13.984 7.486 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.664 -13.130 6.318 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -13.954 -12.205 5.960 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -15.729 -13.416 5.796 1.00 0.00 O ATOM 0 H GLU A 109 -11.715 -15.644 7.020 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.400 -14.204 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.773 -12.624 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.144 -13.487 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.222 -15.038 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.863 -13.856 8.335 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.967 -16.237 9.243 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.040 -16.847 10.018 1.00 0.00 C ATOM 1417 C ASP A 110 -14.481 -17.535 11.257 1.00 0.00 C ATOM 1418 O ASP A 110 -14.997 -17.360 12.361 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.793 -17.867 9.154 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.869 -17.167 8.321 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.248 -16.067 8.688 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.294 -17.740 7.332 1.00 0.00 O ATOM 0 H ASP A 110 -13.814 -16.654 8.325 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.728 -16.063 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.094 -18.384 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.251 -18.624 9.790 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.423 -18.316 11.066 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.805 -19.029 12.178 1.00 0.00 C ATOM 1429 C GLU A 111 -12.340 -18.051 13.250 1.00 0.00 C ATOM 1430 O GLU A 111 -12.668 -18.204 14.427 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.606 -19.837 11.675 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.000 -20.627 12.837 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.827 -21.466 12.341 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.394 -21.241 11.223 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.379 -22.322 13.087 1.00 0.00 O ATOM 0 H GLU A 111 -12.979 -18.471 10.161 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.546 -19.701 12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.919 -20.517 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.859 -19.170 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.665 -19.943 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.757 -21.272 13.283 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.586 -17.039 12.835 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.082 -16.046 13.774 1.00 0.00 C ATOM 1444 C LEU A 112 -12.229 -15.448 14.581 1.00 0.00 C ATOM 1445 O LEU A 112 -12.122 -15.279 15.796 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.364 -14.927 13.011 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.866 -13.868 13.999 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.937 -14.522 15.025 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.102 -12.782 13.239 1.00 0.00 C ATOM 0 H LEU A 112 -11.313 -16.886 11.864 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.384 -16.534 14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.525 -15.337 12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.042 -14.474 12.288 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.718 -13.422 14.513 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.583 -13.768 15.728 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.481 -15.296 15.567 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.085 -14.968 14.512 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.747 -12.028 13.941 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.251 -13.228 12.725 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.763 -12.315 12.509 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.327 -15.135 13.904 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.486 -14.560 14.575 1.00 0.00 C ATOM 1463 C ASP A 113 -15.006 -15.509 15.651 1.00 0.00 C ATOM 1464 O ASP A 113 -15.316 -15.087 16.766 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.596 -14.285 13.554 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.377 -12.927 12.888 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.468 -12.228 13.305 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.121 -12.607 11.975 1.00 0.00 O ATOM 0 H ASP A 113 -13.439 -15.268 12.899 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.185 -13.624 15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.608 -15.071 12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.567 -14.303 14.048 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.097 -16.790 15.311 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.582 -17.787 16.259 1.00 0.00 C ATOM 1475 C GLN A 114 -14.655 -17.872 17.467 1.00 0.00 C ATOM 1476 O GLN A 114 -15.110 -17.882 18.611 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.660 -19.156 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.250 -20.177 16.556 1.00 0.00 C ATOM 1479 CD GLN A 114 -16.289 -21.556 15.906 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -15.322 -21.970 15.267 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -17.357 -22.295 16.032 1.00 0.00 N ATOM 0 H GLN A 114 -14.844 -17.160 14.395 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.575 -17.489 16.595 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -16.277 -19.095 14.685 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.667 -19.473 15.263 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.651 -20.212 17.466 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -17.256 -19.875 16.848 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.157 -21.949 16.562 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.392 -23.218 15.600 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.353 -17.926 17.207 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.375 -18.016 18.283 1.00 0.00 C ATOM 1492 C LEU A 115 -12.498 -16.814 19.213 1.00 0.00 C ATOM 1493 O LEU A 115 -12.438 -16.956 20.435 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.961 -18.057 17.696 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.757 -19.374 16.944 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.423 -19.334 16.194 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.749 -20.540 17.940 1.00 0.00 C ATOM 0 H LEU A 115 -12.954 -17.909 16.269 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.565 -18.928 18.850 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.812 -17.214 17.021 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.223 -17.963 18.492 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.570 -19.512 16.232 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.278 -20.272 15.659 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.430 -18.508 15.483 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.610 -19.193 16.906 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.604 -21.477 17.402 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.938 -20.402 18.655 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.700 -20.571 18.472 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.680 -15.635 18.631 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.819 -14.418 19.423 1.00 0.00 C ATOM 1511 C CYS A 116 -14.070 -14.485 20.293 1.00 0.00 C ATOM 1512 O CYS A 116 -14.052 -14.078 21.455 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.905 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.333 -12.996 17.626 1.00 0.00 S ATOM 0 H CYS A 116 -12.735 -15.495 17.622 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.945 -14.325 20.068 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.717 -13.332 17.783 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.132 -12.307 19.078 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.252 -13.869 16.666 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.155 -15.003 19.725 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.408 -15.118 20.462 1.00 0.00 C ATOM 1522 C ASP A 117 -16.232 -16.023 21.677 1.00 0.00 C ATOM 1523 O ASP A 117 -16.680 -15.696 22.776 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.497 -15.690 19.551 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.794 -15.865 20.334 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.870 -15.350 21.438 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.691 -16.511 19.820 1.00 0.00 O ATOM 0 H ASP A 117 -15.192 -15.347 18.765 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.702 -14.125 20.802 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.661 -15.024 18.704 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.176 -16.649 19.145 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.578 -17.162 21.471 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.355 -18.107 22.559 1.00 0.00 C ATOM 1534 C GLU A 118 -14.494 -17.473 23.647 1.00 0.00 C ATOM 1535 O GLU A 118 -14.801 -17.580 24.835 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.662 -19.363 22.022 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.664 -20.447 23.102 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.213 -21.775 22.507 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.195 -21.880 21.292 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.893 -22.668 23.274 1.00 0.00 O ATOM 0 H GLU A 118 -15.197 -17.451 20.570 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.320 -18.379 22.987 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.176 -19.722 21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.639 -19.129 21.728 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.000 -20.160 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.663 -20.549 23.525 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.420 -16.809 23.234 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.525 -16.156 24.182 1.00 0.00 C ATOM 1549 C TRP A 119 -13.248 -15.028 24.911 1.00 0.00 C ATOM 1550 O TRP A 119 -13.066 -14.833 26.113 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.304 -15.598 23.451 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.490 -14.775 24.396 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.280 -13.443 24.286 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.773 -15.205 25.590 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.481 -13.028 25.337 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.143 -14.078 26.168 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.611 -16.451 26.222 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.379 -14.183 27.330 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.843 -16.561 27.393 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -8.228 -15.428 27.945 1.00 0.00 C ATOM 0 H TRP A 119 -13.149 -16.709 22.256 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.200 -16.895 24.914 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.702 -16.414 23.051 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.621 -14.991 22.603 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.672 -12.807 23.506 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.179 -12.064 25.480 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -10.080 -17.329 25.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.907 -13.308 27.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.726 -17.523 27.870 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.638 -15.518 28.845 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.068 -14.286 24.174 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.814 -13.177 24.757 1.00 0.00 C ATOM 1573 C LYS A 120 -15.764 -13.685 25.837 1.00 0.00 C ATOM 1574 O LYS A 120 -15.962 -13.030 26.860 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.610 -12.452 23.671 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.288 -11.219 24.271 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.036 -10.461 23.172 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.701 -9.220 23.769 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.413 -8.473 22.694 1.00 0.00 N ATOM 0 H LYS A 120 -14.232 -14.431 23.178 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.105 -12.482 25.208 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.948 -12.156 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.121 23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.981 -11.519 25.057 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.544 -10.570 24.733 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.345 -10.171 22.381 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.788 -11.106 22.718 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.403 -9.511 24.551 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.951 -8.581 24.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.750 -7.563 23.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.762 -8.302 21.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.224 -9.032 22.362 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.352 -14.853 25.599 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.280 -15.438 26.560 1.00 0.00 C ATOM 1595 C ALA A 121 -16.559 -15.792 27.856 1.00 0.00 C ATOM 1596 O ALA A 121 -17.060 -15.528 28.949 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.917 -16.697 25.968 1.00 0.00 C ATOM 0 H ALA A 121 -16.204 -15.409 24.757 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.057 -14.705 26.779 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.609 -17.129 26.691 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.458 -16.438 25.058 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.138 -17.423 25.733 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.378 -16.386 27.725 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.598 -16.770 28.891 1.00 0.00 C ATOM 1605 C ARG A 122 -14.261 -15.550 29.739 1.00 0.00 C ATOM 1606 O ARG A 122 -14.348 -15.591 30.967 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.306 -17.467 28.454 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.605 -18.070 29.677 1.00 0.00 C ATOM 1609 CD ARG A 122 -13.086 -19.509 29.882 1.00 0.00 C ATOM 1610 NE ARG A 122 -14.531 -19.545 30.046 1.00 0.00 N ATOM 1611 CZ ARG A 122 -15.253 -20.563 29.590 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -16.548 -20.569 29.751 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -14.667 -21.558 28.981 1.00 0.00 N ATOM 0 H ARG A 122 -14.944 -16.610 26.829 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.195 -17.458 29.490 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.531 -18.249 27.729 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.646 -16.754 27.959 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.524 -18.053 29.535 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.820 -17.473 30.564 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -12.796 -20.121 29.028 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -12.604 -19.938 30.760 1.00 0.00 H new ATOM 0 HE ARG A 122 -14.999 -18.773 30.521 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -17.006 -19.792 30.227 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -17.102 -21.351 29.401 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -13.655 -21.554 28.855 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -15.221 -22.339 28.631 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.880 -14.468 29.076 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.536 -13.237 29.775 1.00 0.00 C ATOM 1629 C LEU A 123 -14.744 -12.701 30.535 1.00 0.00 C ATOM 1630 O LEU A 123 -14.615 -12.213 31.655 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.047 -12.186 28.778 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.686 -12.607 28.216 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.275 -11.646 27.097 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.636 -12.574 29.335 1.00 0.00 C ATOM 0 H LEU A 123 -13.801 -14.416 28.060 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.740 -13.455 30.487 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.768 -12.075 27.968 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.965 -11.216 29.268 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.756 -13.619 27.816 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.306 -11.946 26.697 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.020 -11.674 26.302 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.206 -10.633 27.494 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.668 -12.874 28.934 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.565 -11.564 29.738 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.929 -13.261 30.129 1.00 0.00 H new ATOM 1646 N SER A 124 -15.914 -12.791 29.916 1.00 0.00 N ATOM 1647 CA SER A 124 -17.142 -12.316 30.543 1.00 0.00 C ATOM 1648 C SER A 124 -17.506 -13.186 31.742 1.00 0.00 C ATOM 1649 O SER A 124 -17.948 -12.686 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.285 -12.325 29.531 1.00 0.00 C ATOM 1651 OG SER A 124 -19.460 -11.815 30.145 1.00 0.00 O ATOM 0 H SER A 124 -16.039 -13.187 28.984 1.00 0.00 H new ATOM 0 HA SER A 124 -16.978 -11.296 30.890 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.022 -11.720 28.663 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.460 -13.339 29.171 1.00 0.00 H new ATOM 0 HG SER A 124 -20.195 -11.818 29.497 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.323 -14.495 31.591 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.642 -15.429 32.665 1.00 0.00 C ATOM 1659 C GLU A 125 -16.820 -15.112 33.910 1.00 0.00 C ATOM 1660 O GLU A 125 -17.332 -15.147 35.028 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.353 -16.863 32.212 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.709 -17.835 33.340 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.470 -19.270 32.889 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -17.336 -19.476 31.694 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -17.425 -20.141 33.741 1.00 0.00 O ATOM 0 H GLU A 125 -16.959 -14.929 30.743 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.700 -15.330 32.906 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.932 -17.097 31.319 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.301 -16.967 31.946 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.106 -17.618 34.222 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.752 -17.705 33.627 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.546 -14.800 33.707 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.660 -14.470 34.817 1.00 0.00 C ATOM 1674 C LEU A 126 -15.073 -13.149 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.954 -12.971 36.670 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.215 -14.382 34.329 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.742 -15.769 33.883 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.366 -15.651 33.225 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.649 -16.698 35.099 1.00 0.00 C ATOM 0 H LEU A 126 -15.104 -14.768 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.736 -15.259 35.565 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.142 -13.677 33.501 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.573 -14.006 35.125 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.454 -16.181 33.168 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.029 -16.638 32.907 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.432 -14.994 32.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.655 -15.237 33.940 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.312 -17.684 34.779 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.939 -16.288 35.817 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.630 -16.784 35.567 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.546 -12.222 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.972 -10.917 35.125 1.00 0.00 C ATOM 1693 C GLN A 127 -17.195 -11.052 36.025 1.00 0.00 C ATOM 1694 O GLN A 127 -17.279 -10.413 37.074 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.298 -9.994 33.950 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.001 -9.538 33.279 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.715 32.036 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.486 -8.452 31.745 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.344 -8.291 31.279 1.00 0.00 N ATOM 0 H GLN A 127 -15.644 -12.348 33.624 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.156 -10.489 35.708 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.928 -10.515 33.229 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.862 -9.129 34.300 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.410 -8.945 33.977 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.398 -10.405 33.007 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.378 -8.510 31.522 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.548 -7.741 30.445 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.890 35.610 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.355 -12.103 36.385 1.00 0.00 C ATOM 1710 C GLN A 128 -19.012 -12.577 37.794 1.00 0.00 C ATOM 1711 O GLN A 128 -19.668 -12.197 38.763 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.242 -13.139 35.695 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.793 -12.554 34.393 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.616 -13.606 33.657 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.082 -14.635 33.243 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.892 -13.408 33.467 1.00 0.00 N ATOM 0 H GLN A 128 -18.084 -12.430 34.746 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.893 -11.157 36.452 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.669 -14.042 35.486 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.062 -13.427 36.353 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.411 -11.682 34.609 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.972 -12.214 33.761 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.332 -12.555 33.811 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.449 -14.107 32.975 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.979 -13.405 37.899 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.555 -13.921 39.195 1.00 0.00 C ATOM 1727 C TYR A 129 -17.151 -12.776 40.117 1.00 0.00 C ATOM 1728 O TYR A 129 -17.462 -12.788 41.308 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.373 -14.879 39.016 1.00 0.00 C ATOM 1730 CG TYR A 129 -16.888 -16.263 38.701 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.824 -16.447 37.677 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -16.430 -17.363 39.436 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -18.302 -17.731 37.387 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -16.908 -18.647 39.147 1.00 0.00 C ATOM 1735 CZ TYR A 129 -17.844 -18.831 38.122 1.00 0.00 C ATOM 1736 OH TYR A 129 -18.316 -20.095 37.838 1.00 0.00 O ATOM 0 H TYR A 129 -17.423 -13.731 37.109 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.390 -14.458 39.644 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.726 -14.529 38.212 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.769 -14.902 39.923 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -18.178 -15.598 37.110 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.708 -17.221 40.226 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -19.024 -17.873 36.596 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.555 -19.495 39.715 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.896 -20.744 38.440 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.457 -11.790 39.560 1.00 0.00 N ATOM 1747 CA ARG A 130 -16.015 -10.644 40.344 1.00 0.00 C ATOM 1748 C ARG A 130 -17.218 -9.906 40.927 1.00 0.00 C ATOM 1749 O ARG A 130 -17.196 -9.483 42.083 1.00 0.00 O ATOM 1750 CB ARG A 130 -15.204 -9.690 39.464 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.631 -8.557 40.323 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.309 -9.010 40.946 1.00 0.00 C ATOM 1753 NE ARG A 130 -12.689 -7.906 41.668 1.00 0.00 N ATOM 1754 CZ ARG A 130 -11.561 -8.078 42.349 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -11.024 -7.073 42.986 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -10.989 -9.250 42.379 1.00 0.00 N ATOM 0 H ARG A 130 -16.190 -11.761 38.576 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.388 -11.002 41.161 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.396 -10.231 38.973 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.837 -9.279 38.677 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.472 -7.668 39.713 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -15.340 -8.285 41.105 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.485 -9.845 41.625 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.636 -9.369 40.168 1.00 0.00 H new ATOM 0 HE ARG A 130 -13.128 -6.986 41.650 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.470 -6.156 42.961 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -10.158 -7.205 43.509 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.408 -10.035 41.880 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -10.123 -9.382 42.902 1.00 0.00 H new ATOM 1770 N GLU A 131 -18.258 -9.745 40.118 1.00 0.00 N ATOM 1771 CA GLU A 131 -19.459 -9.048 40.563 1.00 0.00 C ATOM 1772 C GLU A 131 -20.112 -9.797 41.720 1.00 0.00 C ATOM 1773 O GLU A 131 -20.680 -9.188 42.624 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.452 -8.927 39.405 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.885 -7.986 38.341 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.853 -7.883 37.167 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -20.756 -8.707 36.272 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -21.676 -6.983 37.180 1.00 0.00 O ATOM 0 H GLU A 131 -18.295 -10.085 39.157 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.175 -8.052 40.902 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.643 -9.909 38.972 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -21.407 -8.548 39.769 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.715 -6.999 38.770 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.919 -8.354 37.995 1.00 0.00 H new