USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 832 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 55 HIS : no HD1:sc= -0.0799 X(o=-3.5,f=-3.9) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -160:sc= -3.45! (180deg=-5.47!) USER MOD Set 2.1: A 28 ASN : amide:sc= -3.4 K(o=-2.7,f=-7.2!) USER MOD Set 2.2: A 54 SER OG : rot 116:sc= 0.698 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 72:sc= -0.883 USER MOD Single : A 20 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.91) USER MOD Single : A 25 THR OG1 : rot -100:sc= -0.346! USER MOD Single : A 26 THR OG1 : rot -97:sc= 0.872 USER MOD Single : A 27 ASN : amide:sc= -5.17! C(o=-5.2!,f=-4.6!) USER MOD Single : A 30 MET CE :methyl -142:sc= -0.251 (180deg=-1.62!) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= -0.112 (180deg=-0.113) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -150:sc= 0.0149 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -119:sc= 0.471 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -42:sc= 0.09 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -44:sc= -3.71! USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0.132 (180deg=0.0556) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.73! C(o=-8.7!,f=-3!) USER MOD Single : A 95 MET CE :methyl 162:sc= -0.403 (180deg=-1.2) USER MOD Single : A 98 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-5.4!) USER MOD Single : A 103 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -15.896 -8.654 -12.594 1.00 0.00 N ATOM 60 CA PRO A 5 -15.601 -8.810 -11.141 1.00 0.00 C ATOM 61 C PRO A 5 -16.582 -8.006 -10.281 1.00 0.00 C ATOM 62 O PRO A 5 -17.551 -8.556 -9.760 1.00 0.00 O ATOM 63 CB PRO A 5 -14.156 -8.300 -10.984 1.00 0.00 C ATOM 64 CG PRO A 5 -13.544 -8.409 -12.350 1.00 0.00 C ATOM 65 CD PRO A 5 -14.690 -8.281 -13.364 1.00 0.00 C ATOM 0 HA PRO A 5 -15.708 -9.842 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.139 -7.270 -10.627 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.605 -8.898 -10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.802 -7.625 -12.504 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.029 -9.363 -12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.765 -7.266 -13.755 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.542 -8.942 -14.218 1.00 0.00 H new ATOM 73 N ARG A 6 -16.330 -6.700 -10.171 1.00 0.00 N ATOM 74 CA ARG A 6 -17.173 -5.796 -9.404 1.00 0.00 C ATOM 75 C ARG A 6 -17.165 -4.439 -10.095 1.00 0.00 C ATOM 76 O ARG A 6 -18.190 -3.954 -10.569 1.00 0.00 O ATOM 77 CB ARG A 6 -16.642 -5.645 -7.971 1.00 0.00 C ATOM 78 CG ARG A 6 -17.035 -6.876 -7.125 1.00 0.00 C ATOM 79 CD ARG A 6 -16.058 -7.034 -5.967 1.00 0.00 C ATOM 80 NE ARG A 6 -14.719 -7.131 -6.524 1.00 0.00 N ATOM 81 CZ ARG A 6 -13.673 -6.567 -5.932 1.00 0.00 C ATOM 82 NH1 ARG A 6 -13.794 -6.052 -4.740 1.00 0.00 N ATOM 83 NH2 ARG A 6 -12.524 -6.545 -6.538 1.00 0.00 N ATOM 0 H ARG A 6 -15.533 -6.244 -10.614 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.185 -6.196 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.558 -5.536 -7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.047 -4.739 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.050 -6.759 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.028 -7.773 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.129 -6.183 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.295 -7.925 -5.386 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.579 -7.646 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.694 -6.082 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.989 -5.619 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.428 -6.960 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.718 -6.113 -6.087 1.00 0.00 H new ATOM 97 N LYS A 7 -15.970 -3.855 -10.171 1.00 0.00 N ATOM 98 CA LYS A 7 -15.778 -2.580 -10.830 1.00 0.00 C ATOM 99 C LYS A 7 -14.282 -2.241 -10.860 1.00 0.00 C ATOM 100 O LYS A 7 -13.717 -1.840 -9.856 1.00 0.00 O ATOM 101 CB LYS A 7 -16.564 -1.474 -10.075 1.00 0.00 C ATOM 102 CG LYS A 7 -17.487 -0.664 -11.036 1.00 0.00 C ATOM 103 CD LYS A 7 -17.508 0.838 -10.647 1.00 0.00 C ATOM 104 CE LYS A 7 -16.481 1.625 -11.483 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.410 3.038 -11.001 1.00 0.00 N ATOM 0 H LYS A 7 -15.118 -4.255 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.151 -2.638 -11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.167 -1.928 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.862 -0.797 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.136 -0.773 -12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.499 -1.067 -11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.506 1.247 -10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.284 0.948 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.500 1.156 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.763 1.604 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.715 3.564 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.344 3.485 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.121 3.050 -10.002 1.00 0.00 H new ATOM 119 N ARG A 8 -13.654 -2.402 -12.008 1.00 0.00 N ATOM 120 CA ARG A 8 -12.235 -2.096 -12.140 1.00 0.00 C ATOM 121 C ARG A 8 -12.031 -0.592 -12.280 1.00 0.00 C ATOM 122 O ARG A 8 -12.570 0.032 -13.195 1.00 0.00 O ATOM 123 CB ARG A 8 -11.633 -2.817 -13.360 1.00 0.00 C ATOM 124 CG ARG A 8 -10.175 -2.396 -13.566 1.00 0.00 C ATOM 125 CD ARG A 8 -9.576 -3.228 -14.700 1.00 0.00 C ATOM 126 NE ARG A 8 -9.455 -4.625 -14.292 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.391 -5.050 -13.619 1.00 0.00 C ATOM 128 NH1 ARG A 8 -7.438 -4.212 -13.318 1.00 0.00 N ATOM 129 NH2 ARG A 8 -8.298 -6.302 -13.260 1.00 0.00 N ATOM 0 H ARG A 8 -14.097 -2.741 -12.862 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.727 -2.445 -11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.689 -3.896 -13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.215 -2.583 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.119 -1.334 -13.807 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.606 -2.545 -12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.206 -3.154 -15.587 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.596 -2.835 -14.971 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.198 -5.284 -14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.511 -3.234 -13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.620 -4.534 -12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.043 -6.957 -13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.480 -6.625 -12.743 1.00 0.00 H new ATOM 143 N VAL A 9 -11.241 -0.009 -11.372 1.00 0.00 N ATOM 144 CA VAL A 9 -10.964 1.441 -11.418 1.00 0.00 C ATOM 145 C VAL A 9 -9.525 1.686 -11.833 1.00 0.00 C ATOM 146 O VAL A 9 -8.602 1.079 -11.293 1.00 0.00 O ATOM 147 CB VAL A 9 -11.161 2.088 -10.040 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.380 3.605 -10.159 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.364 1.461 -9.343 1.00 0.00 C ATOM 0 H VAL A 9 -10.786 -0.505 -10.606 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.657 1.878 -12.137 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.257 1.914 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.516 4.032 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.512 4.062 -10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.267 3.798 -10.762 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.500 1.923 -8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.258 1.619 -9.947 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.195 0.391 -9.218 1.00 0.00 H new ATOM 159 N ALA A 10 -9.340 2.593 -12.766 1.00 0.00 N ATOM 160 CA ALA A 10 -8.004 2.939 -13.222 1.00 0.00 C ATOM 161 C ALA A 10 -7.489 4.132 -12.413 1.00 0.00 C ATOM 162 O ALA A 10 -7.617 5.278 -12.845 1.00 0.00 O ATOM 163 CB ALA A 10 -8.044 3.310 -14.708 1.00 0.00 C ATOM 0 H ALA A 10 -10.093 3.106 -13.225 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.341 2.085 -13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.040 3.569 -15.046 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.414 2.462 -15.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.707 4.163 -14.852 1.00 0.00 H new ATOM 169 N LEU A 11 -6.934 3.872 -11.221 1.00 0.00 N ATOM 170 CA LEU A 11 -6.443 4.966 -10.366 1.00 0.00 C ATOM 171 C LEU A 11 -4.920 5.100 -10.491 1.00 0.00 C ATOM 172 O LEU A 11 -4.184 4.172 -10.178 1.00 0.00 O ATOM 173 CB LEU A 11 -6.832 4.650 -8.907 1.00 0.00 C ATOM 174 CG LEU A 11 -6.961 5.952 -8.078 1.00 0.00 C ATOM 175 CD1 LEU A 11 -7.286 5.646 -6.595 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.648 6.735 -8.149 1.00 0.00 C ATOM 0 H LEU A 11 -6.815 2.937 -10.832 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.890 5.910 -10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.776 4.106 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.081 4.001 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.777 6.540 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.370 6.581 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.228 5.102 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.489 5.040 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.739 7.651 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.839 6.126 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.430 6.986 -9.187 1.00 0.00 H new ATOM 188 N PHE A 12 -4.446 6.256 -10.957 1.00 0.00 N ATOM 189 CA PHE A 12 -3.007 6.467 -11.115 1.00 0.00 C ATOM 190 C PHE A 12 -2.458 7.175 -9.884 1.00 0.00 C ATOM 191 O PHE A 12 -2.683 8.370 -9.690 1.00 0.00 O ATOM 192 CB PHE A 12 -2.737 7.334 -12.347 1.00 0.00 C ATOM 193 CG PHE A 12 -3.651 6.896 -13.467 1.00 0.00 C ATOM 194 CD1 PHE A 12 -4.950 7.416 -13.544 1.00 0.00 C ATOM 195 CD2 PHE A 12 -3.208 5.975 -14.422 1.00 0.00 C ATOM 196 CE1 PHE A 12 -5.805 7.014 -14.578 1.00 0.00 C ATOM 197 CE2 PHE A 12 -4.064 5.573 -15.457 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.363 6.093 -15.533 1.00 0.00 C ATOM 0 H PHE A 12 -5.027 7.049 -11.228 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.520 5.499 -11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.906 8.385 -12.112 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.695 7.240 -12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.292 8.127 -12.806 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.207 5.574 -14.362 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.806 7.415 -14.638 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.722 4.863 -16.195 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.023 5.782 -16.329 1.00 0.00 H new ATOM 208 N THR A 13 -1.736 6.438 -9.066 1.00 0.00 N ATOM 209 CA THR A 13 -1.157 7.020 -7.861 1.00 0.00 C ATOM 210 C THR A 13 -0.132 8.076 -8.275 1.00 0.00 C ATOM 211 O THR A 13 1.067 7.805 -8.370 1.00 0.00 O ATOM 212 CB THR A 13 -0.507 5.911 -6.994 1.00 0.00 C ATOM 213 OG1 THR A 13 -1.005 4.653 -7.414 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.849 6.112 -5.510 1.00 0.00 C ATOM 0 H THR A 13 -1.535 5.448 -9.205 1.00 0.00 H new ATOM 0 HA THR A 13 -1.932 7.494 -7.259 1.00 0.00 H new ATOM 0 HB THR A 13 0.575 5.957 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.621 4.424 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.383 5.323 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.477 7.081 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.930 6.074 -5.377 1.00 0.00 H new ATOM 222 N ASP A 14 -0.627 9.282 -8.553 1.00 0.00 N ATOM 223 CA ASP A 14 0.226 10.386 -8.994 1.00 0.00 C ATOM 224 C ASP A 14 0.238 11.510 -7.957 1.00 0.00 C ATOM 225 O ASP A 14 -0.127 12.648 -8.256 1.00 0.00 O ATOM 226 CB ASP A 14 -0.294 10.908 -10.338 1.00 0.00 C ATOM 227 CG ASP A 14 -1.611 11.653 -10.142 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.357 11.272 -9.256 1.00 0.00 O ATOM 229 OD2 ASP A 14 -1.853 12.593 -10.880 1.00 0.00 O ATOM 0 H ASP A 14 -1.616 9.520 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 14 1.249 10.027 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.444 11.572 -10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.438 10.077 -11.028 1.00 0.00 H new ATOM 234 N GLY A 15 0.656 11.173 -6.736 1.00 0.00 N ATOM 235 CA GLY A 15 0.719 12.142 -5.636 1.00 0.00 C ATOM 236 C GLY A 15 1.042 13.544 -6.144 1.00 0.00 C ATOM 237 O GLY A 15 0.142 14.312 -6.479 1.00 0.00 O ATOM 0 H GLY A 15 0.958 10.233 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.234 12.156 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.478 11.830 -4.918 1.00 0.00 H new ATOM 241 N ALA A 16 2.332 13.856 -6.218 1.00 0.00 N ATOM 242 CA ALA A 16 2.772 15.160 -6.709 1.00 0.00 C ATOM 243 C ALA A 16 4.293 15.205 -6.782 1.00 0.00 C ATOM 244 O ALA A 16 4.867 15.447 -7.844 1.00 0.00 O ATOM 245 CB ALA A 16 2.275 16.277 -5.787 1.00 0.00 C ATOM 0 H ALA A 16 3.089 13.228 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 16 2.355 15.309 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.612 17.241 -6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.186 16.262 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.673 16.125 -4.784 1.00 0.00 H new ATOM 251 N ALA A 17 4.934 14.964 -5.645 1.00 0.00 N ATOM 252 CA ALA A 17 6.392 14.968 -5.573 1.00 0.00 C ATOM 253 C ALA A 17 6.923 16.400 -5.542 1.00 0.00 C ATOM 254 O ALA A 17 7.285 16.969 -6.571 1.00 0.00 O ATOM 255 CB ALA A 17 6.973 14.188 -6.765 1.00 0.00 C ATOM 0 H ALA A 17 4.469 14.763 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 17 6.706 14.478 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.061 14.193 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.613 13.159 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.657 14.658 -7.696 1.00 0.00 H new ATOM 261 N LEU A 18 6.958 16.962 -4.341 1.00 0.00 N ATOM 262 CA LEU A 18 7.430 18.325 -4.135 1.00 0.00 C ATOM 263 C LEU A 18 7.384 18.686 -2.661 1.00 0.00 C ATOM 264 O LEU A 18 7.509 19.854 -2.295 1.00 0.00 O ATOM 265 CB LEU A 18 6.556 19.316 -4.924 1.00 0.00 C ATOM 266 CG LEU A 18 5.052 19.147 -4.551 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.632 20.135 -3.448 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.177 19.412 -5.783 1.00 0.00 C ATOM 0 H LEU A 18 6.662 16.489 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 18 8.459 18.385 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.875 20.337 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.690 19.155 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 18 4.918 18.127 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.578 19.990 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.231 19.959 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.789 21.156 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.127 19.292 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.348 20.428 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.434 18.704 -6.571 1.00 0.00 H new ATOM 280 N GLY A 19 7.172 17.687 -1.821 1.00 0.00 N ATOM 281 CA GLY A 19 7.068 17.919 -0.395 1.00 0.00 C ATOM 282 C GLY A 19 8.208 18.791 0.087 1.00 0.00 C ATOM 283 O GLY A 19 9.290 18.793 -0.502 1.00 0.00 O ATOM 0 H GLY A 19 7.069 16.712 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.115 18.398 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.081 16.967 0.136 1.00 0.00 H new ATOM 287 N ASN A 20 7.970 19.519 1.174 1.00 0.00 N ATOM 288 CA ASN A 20 9.012 20.379 1.741 1.00 0.00 C ATOM 289 C ASN A 20 10.354 19.626 1.724 1.00 0.00 C ATOM 290 O ASN A 20 11.359 20.164 1.262 1.00 0.00 O ATOM 291 CB ASN A 20 8.634 20.830 3.180 1.00 0.00 C ATOM 292 CG ASN A 20 8.817 22.342 3.353 1.00 0.00 C ATOM 293 OD1 ASN A 20 9.670 22.942 2.698 1.00 0.00 O ATOM 294 ND2 ASN A 20 8.070 22.990 4.207 1.00 0.00 N ATOM 0 H ASN A 20 7.082 19.534 1.675 1.00 0.00 H new ATOM 0 HA ASN A 20 9.106 21.281 1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.599 20.560 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.253 20.301 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.193 23.995 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.364 22.491 4.748 1.00 0.00 H new ATOM 301 N PRO A 21 10.376 18.383 2.168 1.00 0.00 N ATOM 302 CA PRO A 21 11.610 17.540 2.145 1.00 0.00 C ATOM 303 C PRO A 21 12.056 17.316 0.712 1.00 0.00 C ATOM 304 O PRO A 21 13.208 17.554 0.346 1.00 0.00 O ATOM 305 CB PRO A 21 11.153 16.209 2.786 1.00 0.00 C ATOM 306 CG PRO A 21 9.951 16.579 3.577 1.00 0.00 C ATOM 307 CD PRO A 21 9.250 17.626 2.727 1.00 0.00 C ATOM 0 HA PRO A 21 12.452 17.992 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.916 15.462 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.932 15.784 3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.310 15.715 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.225 16.978 4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.638 17.173 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.591 18.258 3.322 1.00 0.00 H new ATOM 315 N GLY A 22 11.101 16.842 -0.091 1.00 0.00 N ATOM 316 CA GLY A 22 11.333 16.554 -1.495 1.00 0.00 C ATOM 317 C GLY A 22 10.855 15.134 -1.829 1.00 0.00 C ATOM 318 O GLY A 22 10.590 14.342 -0.923 1.00 0.00 O ATOM 0 H GLY A 22 10.149 16.650 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.805 17.279 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.394 16.652 -1.724 1.00 0.00 H new ATOM 322 N PRO A 23 10.770 14.786 -3.092 1.00 0.00 N ATOM 323 CA PRO A 23 10.347 13.414 -3.534 1.00 0.00 C ATOM 324 C PRO A 23 11.153 12.312 -2.854 1.00 0.00 C ATOM 325 O PRO A 23 10.827 11.128 -2.959 1.00 0.00 O ATOM 326 CB PRO A 23 10.663 13.435 -5.028 1.00 0.00 C ATOM 327 CG PRO A 23 10.520 14.850 -5.431 1.00 0.00 C ATOM 328 CD PRO A 23 11.056 15.651 -4.254 1.00 0.00 C ATOM 0 HA PRO A 23 9.306 13.204 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.671 13.069 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.979 12.795 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.083 15.060 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.479 15.099 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.123 15.848 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.560 16.618 -4.167 1.00 0.00 H new ATOM 336 N GLY A 24 12.231 12.733 -2.218 1.00 0.00 N ATOM 337 CA GLY A 24 13.166 11.834 -1.539 1.00 0.00 C ATOM 338 C GLY A 24 12.478 10.655 -0.837 1.00 0.00 C ATOM 339 O GLY A 24 13.142 9.703 -0.447 1.00 0.00 O ATOM 0 H GLY A 24 12.491 13.717 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.880 11.448 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.736 12.402 -0.804 1.00 0.00 H new ATOM 343 N THR A 25 11.156 10.724 -0.706 1.00 0.00 N ATOM 344 CA THR A 25 10.359 9.676 -0.095 1.00 0.00 C ATOM 345 C THR A 25 8.957 10.209 0.249 1.00 0.00 C ATOM 346 O THR A 25 8.091 9.442 0.672 1.00 0.00 O ATOM 347 CB THR A 25 11.050 9.126 1.170 1.00 0.00 C ATOM 348 OG1 THR A 25 12.043 10.040 1.616 1.00 0.00 O ATOM 349 CG2 THR A 25 11.701 7.759 0.895 1.00 0.00 C ATOM 0 H THR A 25 10.606 11.521 -1.027 1.00 0.00 H new ATOM 0 HA THR A 25 10.260 8.859 -0.810 1.00 0.00 H new ATOM 0 HB THR A 25 10.291 9.001 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.926 9.735 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.181 7.395 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.937 7.049 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.447 7.863 0.108 1.00 0.00 H new ATOM 357 N THR A 26 8.729 11.505 0.057 1.00 0.00 N ATOM 358 CA THR A 26 7.434 12.084 0.338 1.00 0.00 C ATOM 359 C THR A 26 6.440 11.731 -0.751 1.00 0.00 C ATOM 360 O THR A 26 5.286 11.463 -0.482 1.00 0.00 O ATOM 361 CB THR A 26 7.548 13.590 0.450 1.00 0.00 C ATOM 362 OG1 THR A 26 8.226 14.095 -0.694 1.00 0.00 O ATOM 363 CG2 THR A 26 8.330 13.940 1.710 1.00 0.00 C ATOM 0 H THR A 26 9.425 12.165 -0.290 1.00 0.00 H new ATOM 0 HA THR A 26 7.078 11.676 1.284 1.00 0.00 H new ATOM 0 HB THR A 26 6.555 14.035 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.173 14.228 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.415 15.023 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.809 13.547 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.326 13.501 1.654 1.00 0.00 H new ATOM 371 N ASN A 27 6.909 11.732 -1.978 1.00 0.00 N ATOM 372 CA ASN A 27 6.056 11.412 -3.108 1.00 0.00 C ATOM 373 C ASN A 27 5.481 10.028 -2.924 1.00 0.00 C ATOM 374 O ASN A 27 4.292 9.786 -3.122 1.00 0.00 O ATOM 375 CB ASN A 27 6.880 11.409 -4.387 1.00 0.00 C ATOM 376 CG ASN A 27 5.979 11.208 -5.603 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.470 11.106 -6.727 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.682 11.143 -5.449 1.00 0.00 N ATOM 0 H ASN A 27 7.875 11.950 -2.222 1.00 0.00 H new ATOM 0 HA ASN A 27 5.260 12.154 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.422 12.350 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.626 10.615 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.078 11.008 -6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.274 11.227 -4.518 1.00 0.00 H new ATOM 385 N ASN A 28 6.358 9.130 -2.535 1.00 0.00 N ATOM 386 CA ASN A 28 5.982 7.750 -2.310 1.00 0.00 C ATOM 387 C ASN A 28 4.977 7.676 -1.171 1.00 0.00 C ATOM 388 O ASN A 28 3.972 6.971 -1.253 1.00 0.00 O ATOM 389 CB ASN A 28 7.232 6.942 -1.965 1.00 0.00 C ATOM 390 CG ASN A 28 8.306 7.161 -3.031 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.417 6.387 -3.978 1.00 0.00 O ATOM 392 ND2 ASN A 28 9.104 8.188 -2.936 1.00 0.00 N ATOM 0 H ASN A 28 7.344 9.332 -2.367 1.00 0.00 H new ATOM 0 HA ASN A 28 5.524 7.338 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.611 7.242 -0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.984 5.883 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.818 8.347 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.014 8.833 -2.151 1.00 0.00 H new ATOM 399 N ARG A 29 5.242 8.447 -0.121 1.00 0.00 N ATOM 400 CA ARG A 29 4.364 8.520 1.019 1.00 0.00 C ATOM 401 C ARG A 29 3.065 9.203 0.612 1.00 0.00 C ATOM 402 O ARG A 29 1.981 8.804 1.029 1.00 0.00 O ATOM 403 CB ARG A 29 5.086 9.281 2.124 1.00 0.00 C ATOM 404 CG ARG A 29 4.207 9.423 3.341 1.00 0.00 C ATOM 405 CD ARG A 29 4.961 10.217 4.406 1.00 0.00 C ATOM 406 NE ARG A 29 4.153 10.304 5.603 1.00 0.00 N ATOM 407 CZ ARG A 29 4.640 10.795 6.740 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.884 11.183 6.807 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.871 10.891 7.791 1.00 0.00 N ATOM 0 H ARG A 29 6.073 9.034 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 29 4.109 7.527 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.004 8.757 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.376 10.268 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.279 9.931 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.934 8.440 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.912 9.734 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.191 11.216 4.036 1.00 0.00 H new ATOM 0 HE ARG A 29 3.186 9.981 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.486 11.110 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.255 11.559 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.898 10.590 7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.244 11.267 8.663 1.00 0.00 H new ATOM 423 N MET A 30 3.188 10.233 -0.219 1.00 0.00 N ATOM 424 CA MET A 30 2.022 10.956 -0.701 1.00 0.00 C ATOM 425 C MET A 30 1.178 10.046 -1.573 1.00 0.00 C ATOM 426 O MET A 30 -0.046 10.015 -1.457 1.00 0.00 O ATOM 427 CB MET A 30 2.499 12.167 -1.495 1.00 0.00 C ATOM 428 CG MET A 30 3.199 13.159 -0.548 1.00 0.00 C ATOM 429 SD MET A 30 2.043 14.460 -0.035 1.00 0.00 S ATOM 430 CE MET A 30 1.743 15.205 -1.656 1.00 0.00 C ATOM 0 H MET A 30 4.080 10.583 -0.570 1.00 0.00 H new ATOM 0 HA MET A 30 1.410 11.288 0.137 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.185 11.852 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.653 12.650 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.576 12.632 0.328 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.060 13.604 -1.047 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.667 16.287 -1.551 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.568 14.963 -2.326 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.813 14.814 -2.070 1.00 0.00 H new ATOM 440 N GLU A 31 1.845 9.267 -2.416 1.00 0.00 N ATOM 441 CA GLU A 31 1.142 8.320 -3.260 1.00 0.00 C ATOM 442 C GLU A 31 0.505 7.282 -2.366 1.00 0.00 C ATOM 443 O GLU A 31 -0.593 6.794 -2.633 1.00 0.00 O ATOM 444 CB GLU A 31 2.109 7.645 -4.234 1.00 0.00 C ATOM 445 CG GLU A 31 2.475 8.626 -5.344 1.00 0.00 C ATOM 446 CD GLU A 31 3.545 8.031 -6.250 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.888 6.879 -6.051 1.00 0.00 O ATOM 448 OE2 GLU A 31 4.006 8.739 -7.131 1.00 0.00 O ATOM 0 H GLU A 31 2.859 9.274 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 31 0.383 8.839 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.007 7.323 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.651 6.752 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.588 8.869 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.835 9.558 -4.909 1.00 0.00 H new ATOM 455 N LEU A 32 1.200 6.975 -1.281 1.00 0.00 N ATOM 456 CA LEU A 32 0.708 6.027 -0.320 1.00 0.00 C ATOM 457 C LEU A 32 -0.467 6.651 0.431 1.00 0.00 C ATOM 458 O LEU A 32 -1.468 5.991 0.694 1.00 0.00 O ATOM 459 CB LEU A 32 1.834 5.653 0.652 1.00 0.00 C ATOM 460 CG LEU A 32 1.423 4.433 1.496 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.681 3.130 0.726 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.224 4.379 2.807 1.00 0.00 C ATOM 0 H LEU A 32 2.110 7.376 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 32 0.370 5.120 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.745 5.430 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.057 6.497 1.304 1.00 0.00 H new ATOM 0 HG LEU A 32 0.360 4.534 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.384 2.280 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.101 3.132 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.742 3.052 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.916 3.508 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.288 4.306 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.037 5.284 3.385 1.00 0.00 H new ATOM 474 N LYS A 33 -0.326 7.941 0.757 1.00 0.00 N ATOM 475 CA LYS A 33 -1.372 8.681 1.466 1.00 0.00 C ATOM 476 C LYS A 33 -2.616 8.794 0.583 1.00 0.00 C ATOM 477 O LYS A 33 -3.748 8.593 1.034 1.00 0.00 O ATOM 478 CB LYS A 33 -0.849 10.080 1.829 1.00 0.00 C ATOM 479 CG LYS A 33 -1.623 10.675 3.023 1.00 0.00 C ATOM 480 CD LYS A 33 -3.085 11.013 2.632 1.00 0.00 C ATOM 481 CE LYS A 33 -3.532 12.310 3.325 1.00 0.00 C ATOM 482 NZ LYS A 33 -4.991 12.525 3.103 1.00 0.00 N ATOM 0 H LYS A 33 0.504 8.493 0.540 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.639 8.151 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.212 10.022 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.942 10.740 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.620 9.966 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.120 11.576 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.164 11.124 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.744 10.193 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.322 12.253 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.967 13.156 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.278 13.429 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.187 12.547 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.527 11.749 3.542 1.00 0.00 H new ATOM 496 N ALA A 34 -2.390 9.109 -0.689 1.00 0.00 N ATOM 497 CA ALA A 34 -3.480 9.233 -1.647 1.00 0.00 C ATOM 498 C ALA A 34 -4.139 7.875 -1.853 1.00 0.00 C ATOM 499 O ALA A 34 -5.331 7.787 -2.151 1.00 0.00 O ATOM 500 CB ALA A 34 -2.947 9.764 -2.981 1.00 0.00 C ATOM 0 H ALA A 34 -1.463 9.282 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.219 9.934 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.769 9.854 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.492 10.742 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.200 9.074 -3.375 1.00 0.00 H new ATOM 506 N ALA A 35 -3.348 6.820 -1.688 1.00 0.00 N ATOM 507 CA ALA A 35 -3.849 5.461 -1.850 1.00 0.00 C ATOM 508 C ALA A 35 -4.829 5.121 -0.734 1.00 0.00 C ATOM 509 O ALA A 35 -5.988 4.821 -0.994 1.00 0.00 O ATOM 510 CB ALA A 35 -2.687 4.466 -1.838 1.00 0.00 C ATOM 0 H ALA A 35 -2.360 6.880 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.366 5.395 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.073 3.454 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.004 4.695 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.155 4.540 -0.890 1.00 0.00 H new ATOM 516 N ILE A 36 -4.371 5.187 0.516 1.00 0.00 N ATOM 517 CA ILE A 36 -5.256 4.886 1.639 1.00 0.00 C ATOM 518 C ILE A 36 -6.552 5.663 1.474 1.00 0.00 C ATOM 519 O ILE A 36 -7.633 5.138 1.738 1.00 0.00 O ATOM 520 CB ILE A 36 -4.553 5.215 2.974 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.539 5.131 4.167 1.00 0.00 C ATOM 522 CG2 ILE A 36 -3.867 6.572 2.915 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.531 6.310 4.228 1.00 0.00 C ATOM 0 H ILE A 36 -3.417 5.440 0.772 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.494 3.822 1.653 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.781 4.462 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.099 4.198 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.971 5.096 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.381 6.776 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.120 6.568 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.608 7.346 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.191 6.186 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.979 7.245 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.125 6.333 3.315 1.00 0.00 H new ATOM 535 N GLU A 37 -6.444 6.897 0.992 1.00 0.00 N ATOM 536 CA GLU A 37 -7.627 7.711 0.748 1.00 0.00 C ATOM 537 C GLU A 37 -8.356 7.220 -0.500 1.00 0.00 C ATOM 538 O GLU A 37 -9.585 7.205 -0.552 1.00 0.00 O ATOM 539 CB GLU A 37 -7.241 9.182 0.565 1.00 0.00 C ATOM 540 CG GLU A 37 -6.745 9.761 1.892 1.00 0.00 C ATOM 541 CD GLU A 37 -7.883 9.805 2.907 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.022 9.916 2.485 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.598 9.731 4.091 1.00 0.00 O ATOM 0 H GLU A 37 -5.559 7.351 0.765 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.286 7.621 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.463 9.271 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.100 9.751 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.927 9.154 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.350 10.765 1.734 1.00 0.00 H new ATOM 550 N GLY A 38 -7.578 6.838 -1.512 1.00 0.00 N ATOM 551 CA GLY A 38 -8.147 6.371 -2.771 1.00 0.00 C ATOM 552 C GLY A 38 -8.817 5.013 -2.626 1.00 0.00 C ATOM 553 O GLY A 38 -9.391 4.496 -3.585 1.00 0.00 O ATOM 0 H GLY A 38 -6.558 6.843 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.875 7.098 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.360 6.308 -3.523 1.00 0.00 H new ATOM 557 N LEU A 39 -8.734 4.424 -1.434 1.00 0.00 N ATOM 558 CA LEU A 39 -9.337 3.115 -1.187 1.00 0.00 C ATOM 559 C LEU A 39 -10.294 3.212 -0.003 1.00 0.00 C ATOM 560 O LEU A 39 -11.153 2.353 0.196 1.00 0.00 O ATOM 561 CB LEU A 39 -8.243 2.071 -0.881 1.00 0.00 C ATOM 562 CG LEU A 39 -7.030 2.197 -1.856 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.717 1.904 -1.117 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.141 1.197 -3.009 1.00 0.00 C ATOM 0 H LEU A 39 -8.258 4.830 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.883 2.803 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.898 2.196 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.666 1.069 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.037 3.216 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.881 1.996 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.592 2.616 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.744 0.892 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.282 1.308 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.162 0.183 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.057 1.386 -3.568 1.00 0.00 H new ATOM 576 N LYS A 40 -10.130 4.272 0.782 1.00 0.00 N ATOM 577 CA LYS A 40 -10.956 4.513 1.953 1.00 0.00 C ATOM 578 C LYS A 40 -12.031 5.541 1.620 1.00 0.00 C ATOM 579 O LYS A 40 -13.061 5.629 2.289 1.00 0.00 O ATOM 580 CB LYS A 40 -10.054 5.037 3.080 1.00 0.00 C ATOM 581 CG LYS A 40 -10.865 5.303 4.376 1.00 0.00 C ATOM 582 CD LYS A 40 -10.613 6.738 4.867 1.00 0.00 C ATOM 583 CE LYS A 40 -11.432 7.006 6.130 1.00 0.00 C ATOM 584 NZ LYS A 40 -11.140 8.380 6.625 1.00 0.00 N ATOM 0 H LYS A 40 -9.420 4.986 0.622 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.445 3.591 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.266 4.312 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.565 5.957 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.928 5.156 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.577 4.590 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.552 6.880 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.884 7.451 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.496 6.903 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.189 6.271 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.696 8.565 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.127 8.462 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.393 9.074 5.893 1.00 0.00 H new ATOM 598 N ALA A 41 -11.789 6.315 0.566 1.00 0.00 N ATOM 599 CA ALA A 41 -12.750 7.335 0.152 1.00 0.00 C ATOM 600 C ALA A 41 -13.790 6.745 -0.788 1.00 0.00 C ATOM 601 O ALA A 41 -14.588 7.473 -1.381 1.00 0.00 O ATOM 602 CB ALA A 41 -12.028 8.498 -0.533 1.00 0.00 C ATOM 0 H ALA A 41 -10.949 6.258 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.257 7.706 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.756 9.250 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.314 8.942 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.499 8.130 -1.412 1.00 0.00 H new ATOM 608 N LEU A 42 -13.765 5.423 -0.933 1.00 0.00 N ATOM 609 CA LEU A 42 -14.701 4.724 -1.822 1.00 0.00 C ATOM 610 C LEU A 42 -15.555 3.712 -1.053 1.00 0.00 C ATOM 611 O LEU A 42 -16.782 3.767 -1.107 1.00 0.00 O ATOM 612 CB LEU A 42 -13.897 4.015 -2.933 1.00 0.00 C ATOM 613 CG LEU A 42 -13.591 5.003 -4.111 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.117 4.907 -4.513 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.455 4.688 -5.347 1.00 0.00 C ATOM 0 H LEU A 42 -13.109 4.811 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.381 5.453 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.963 3.629 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.459 3.159 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.823 6.009 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.917 5.598 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.490 5.165 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.893 3.890 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.218 5.391 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.250 3.672 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.510 4.777 -5.086 1.00 0.00 H new ATOM 627 N LYS A 43 -14.889 2.777 -0.378 1.00 0.00 N ATOM 628 CA LYS A 43 -15.566 1.729 0.379 1.00 0.00 C ATOM 629 C LYS A 43 -16.394 0.873 -0.556 1.00 0.00 C ATOM 630 O LYS A 43 -17.351 0.213 -0.150 1.00 0.00 O ATOM 631 CB LYS A 43 -16.444 2.356 1.469 1.00 0.00 C ATOM 632 CG LYS A 43 -15.556 2.848 2.638 1.00 0.00 C ATOM 633 CD LYS A 43 -16.144 4.124 3.256 1.00 0.00 C ATOM 634 CE LYS A 43 -15.318 4.523 4.478 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.854 5.794 5.044 1.00 0.00 N ATOM 0 H LYS A 43 -13.871 2.725 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.824 1.093 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.013 3.189 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.167 1.625 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.480 2.070 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.546 3.043 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.142 4.931 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.182 3.957 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.354 3.734 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.272 4.649 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.293 6.067 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.797 6.545 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.846 5.658 5.325 1.00 0.00 H new ATOM 649 N GLU A 44 -16.003 0.896 -1.826 1.00 0.00 N ATOM 650 CA GLU A 44 -16.686 0.131 -2.860 1.00 0.00 C ATOM 651 C GLU A 44 -15.807 -1.045 -3.321 1.00 0.00 C ATOM 652 O GLU A 44 -14.974 -0.868 -4.204 1.00 0.00 O ATOM 653 CB GLU A 44 -16.976 1.061 -4.056 1.00 0.00 C ATOM 654 CG GLU A 44 -18.302 1.800 -3.835 1.00 0.00 C ATOM 655 CD GLU A 44 -19.467 0.826 -3.981 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.220 -0.312 -4.346 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.588 1.232 -3.726 1.00 0.00 O ATOM 0 H GLU A 44 -15.210 1.441 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.619 -0.267 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.165 1.779 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.023 0.479 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.316 2.252 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.402 2.611 -4.556 1.00 0.00 H new ATOM 664 N PRO A 45 -15.963 -2.228 -2.761 1.00 0.00 N ATOM 665 CA PRO A 45 -15.144 -3.407 -3.173 1.00 0.00 C ATOM 666 C PRO A 45 -14.951 -3.445 -4.685 1.00 0.00 C ATOM 667 O PRO A 45 -15.836 -3.874 -5.424 1.00 0.00 O ATOM 668 CB PRO A 45 -15.970 -4.589 -2.667 1.00 0.00 C ATOM 669 CG PRO A 45 -16.617 -4.072 -1.424 1.00 0.00 C ATOM 670 CD PRO A 45 -16.914 -2.587 -1.689 1.00 0.00 C ATOM 0 HA PRO A 45 -14.132 -3.398 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.711 -4.902 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.342 -5.455 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.533 -4.620 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.959 -4.191 -0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -17.947 -2.434 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.759 -1.982 -0.796 1.00 0.00 H new ATOM 678 N ALA A 46 -13.800 -2.950 -5.150 1.00 0.00 N ATOM 679 CA ALA A 46 -13.529 -2.894 -6.597 1.00 0.00 C ATOM 680 C ALA A 46 -12.081 -3.256 -6.953 1.00 0.00 C ATOM 681 O ALA A 46 -11.180 -3.174 -6.118 1.00 0.00 O ATOM 682 CB ALA A 46 -13.894 -1.482 -7.096 1.00 0.00 C ATOM 0 H ALA A 46 -13.050 -2.587 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.141 -3.645 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.702 -1.414 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.949 -1.290 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.289 -0.743 -6.571 1.00 0.00 H new ATOM 688 N GLU A 47 -11.880 -3.654 -8.225 1.00 0.00 N ATOM 689 CA GLU A 47 -10.548 -4.024 -8.709 1.00 0.00 C ATOM 690 C GLU A 47 -9.818 -2.771 -9.162 1.00 0.00 C ATOM 691 O GLU A 47 -9.705 -2.491 -10.347 1.00 0.00 O ATOM 692 CB GLU A 47 -10.648 -5.012 -9.880 1.00 0.00 C ATOM 693 CG GLU A 47 -11.149 -6.372 -9.383 1.00 0.00 C ATOM 694 CD GLU A 47 -11.037 -7.402 -10.502 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.675 -7.019 -11.601 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.317 -8.560 -10.242 1.00 0.00 O ATOM 0 H GLU A 47 -12.619 -3.725 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.000 -4.505 -7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.327 -4.621 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.673 -5.126 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.564 -6.693 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.185 -6.290 -9.053 1.00 0.00 H new ATOM 703 N VAL A 48 -9.336 -2.017 -8.205 1.00 0.00 N ATOM 704 CA VAL A 48 -8.649 -0.780 -8.498 1.00 0.00 C ATOM 705 C VAL A 48 -7.263 -1.047 -9.059 1.00 0.00 C ATOM 706 O VAL A 48 -6.356 -1.457 -8.335 1.00 0.00 O ATOM 707 CB VAL A 48 -8.505 0.047 -7.204 1.00 0.00 C ATOM 708 CG1 VAL A 48 -8.417 1.559 -7.516 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.693 -0.240 -6.252 1.00 0.00 C ATOM 0 H VAL A 48 -9.406 -2.238 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.233 -0.234 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.578 -0.249 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.316 2.117 -6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.551 1.750 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.322 1.877 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.581 0.349 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.627 0.028 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.708 -1.300 -5.998 1.00 0.00 H new ATOM 719 N ASP A 49 -7.099 -0.775 -10.335 1.00 0.00 N ATOM 720 CA ASP A 49 -5.801 -0.955 -10.961 1.00 0.00 C ATOM 721 C ASP A 49 -4.922 0.225 -10.598 1.00 0.00 C ATOM 722 O ASP A 49 -4.668 1.114 -11.411 1.00 0.00 O ATOM 723 CB ASP A 49 -5.936 -1.082 -12.480 1.00 0.00 C ATOM 724 CG ASP A 49 -4.597 -1.492 -13.087 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.577 -1.172 -12.500 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.613 -2.122 -14.133 1.00 0.00 O ATOM 0 H ASP A 49 -7.834 -0.433 -10.954 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.348 -1.878 -10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.698 -1.821 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.263 -0.133 -12.906 1.00 0.00 H new ATOM 731 N LEU A 50 -4.483 0.225 -9.346 1.00 0.00 N ATOM 732 CA LEU A 50 -3.659 1.287 -8.825 1.00 0.00 C ATOM 733 C LEU A 50 -2.297 1.303 -9.512 1.00 0.00 C ATOM 734 O LEU A 50 -1.437 0.477 -9.210 1.00 0.00 O ATOM 735 CB LEU A 50 -3.475 1.087 -7.297 1.00 0.00 C ATOM 736 CG LEU A 50 -3.177 2.444 -6.598 1.00 0.00 C ATOM 737 CD1 LEU A 50 -4.438 3.001 -5.908 1.00 0.00 C ATOM 738 CD2 LEU A 50 -2.079 2.291 -5.528 1.00 0.00 C ATOM 0 H LEU A 50 -4.692 -0.512 -8.672 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.150 2.241 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.375 0.643 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.658 0.390 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.843 3.130 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.201 3.950 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.221 3.156 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.786 2.291 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.893 3.256 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.404 1.575 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.162 1.933 -5.996 1.00 0.00 H new ATOM 750 N TYR A 51 -2.090 2.259 -10.425 1.00 0.00 N ATOM 751 CA TYR A 51 -0.797 2.356 -11.107 1.00 0.00 C ATOM 752 C TYR A 51 0.134 3.247 -10.291 1.00 0.00 C ATOM 753 O TYR A 51 -0.155 4.427 -10.092 1.00 0.00 O ATOM 754 CB TYR A 51 -0.928 2.950 -12.519 1.00 0.00 C ATOM 755 CG TYR A 51 -2.108 2.353 -13.247 1.00 0.00 C ATOM 756 CD1 TYR A 51 -3.370 2.943 -13.135 1.00 0.00 C ATOM 757 CD2 TYR A 51 -1.941 1.210 -14.037 1.00 0.00 C ATOM 758 CE1 TYR A 51 -4.457 2.393 -13.812 1.00 0.00 C ATOM 759 CE2 TYR A 51 -3.032 0.656 -14.712 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.292 1.249 -14.601 1.00 0.00 C ATOM 761 OH TYR A 51 -5.373 0.702 -15.264 1.00 0.00 O ATOM 0 H TYR A 51 -2.780 2.957 -10.702 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.398 1.346 -11.199 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.045 4.032 -12.453 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.014 2.762 -13.083 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.503 3.824 -12.525 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.966 0.755 -14.125 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.431 2.852 -13.727 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.901 -0.228 -15.318 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.249 -0.266 -15.349 1.00 0.00 H new ATOM 771 N THR A 52 1.242 2.686 -9.805 1.00 0.00 N ATOM 772 CA THR A 52 2.190 3.447 -8.998 1.00 0.00 C ATOM 773 C THR A 52 3.533 3.478 -9.704 1.00 0.00 C ATOM 774 O THR A 52 3.824 2.626 -10.533 1.00 0.00 O ATOM 775 CB THR A 52 2.363 2.760 -7.631 1.00 0.00 C ATOM 776 OG1 THR A 52 3.433 1.824 -7.701 1.00 0.00 O ATOM 777 CG2 THR A 52 1.077 2.016 -7.269 1.00 0.00 C ATOM 0 H THR A 52 1.502 1.711 -9.956 1.00 0.00 H new ATOM 0 HA THR A 52 1.818 4.462 -8.858 1.00 0.00 H new ATOM 0 HB THR A 52 2.581 3.514 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.544 1.388 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.198 1.529 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.249 2.724 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.865 1.264 -8.029 1.00 0.00 H new ATOM 785 N ASP A 53 4.360 4.448 -9.361 1.00 0.00 N ATOM 786 CA ASP A 53 5.690 4.546 -9.954 1.00 0.00 C ATOM 787 C ASP A 53 6.677 4.888 -8.860 1.00 0.00 C ATOM 788 O ASP A 53 7.645 5.618 -9.073 1.00 0.00 O ATOM 789 CB ASP A 53 5.731 5.609 -11.051 1.00 0.00 C ATOM 790 CG ASP A 53 5.435 6.980 -10.454 1.00 0.00 C ATOM 791 OD1 ASP A 53 4.982 7.027 -9.322 1.00 0.00 O ATOM 792 OD2 ASP A 53 5.666 7.965 -11.137 1.00 0.00 O ATOM 0 H ASP A 53 4.141 5.176 -8.681 1.00 0.00 H new ATOM 0 HA ASP A 53 5.949 3.592 -10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.711 5.614 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.000 5.374 -11.825 1.00 0.00 H new ATOM 797 N SER A 54 6.413 4.344 -7.673 1.00 0.00 N ATOM 798 CA SER A 54 7.276 4.580 -6.511 1.00 0.00 C ATOM 799 C SER A 54 8.209 3.394 -6.274 1.00 0.00 C ATOM 800 O SER A 54 7.913 2.265 -6.665 1.00 0.00 O ATOM 801 CB SER A 54 6.427 4.834 -5.266 1.00 0.00 C ATOM 802 OG SER A 54 5.995 6.188 -5.261 1.00 0.00 O ATOM 0 H SER A 54 5.613 3.739 -7.488 1.00 0.00 H new ATOM 0 HA SER A 54 7.885 5.461 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.566 4.165 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.006 4.622 -4.367 1.00 0.00 H new ATOM 0 HG SER A 54 5.019 6.220 -5.339 1.00 0.00 H new ATOM 808 N HIS A 55 9.345 3.674 -5.636 1.00 0.00 N ATOM 809 CA HIS A 55 10.343 2.643 -5.348 1.00 0.00 C ATOM 810 C HIS A 55 10.159 2.065 -3.953 1.00 0.00 C ATOM 811 O HIS A 55 10.986 1.288 -3.482 1.00 0.00 O ATOM 812 CB HIS A 55 11.749 3.234 -5.469 1.00 0.00 C ATOM 813 CG HIS A 55 12.072 3.471 -6.917 1.00 0.00 C ATOM 814 ND1 HIS A 55 11.652 4.604 -7.592 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.768 2.722 -7.833 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.094 4.507 -8.859 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.780 3.379 -9.060 1.00 0.00 N ATOM 0 H HIS A 55 9.598 4.606 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 55 10.212 1.840 -6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.810 4.170 -4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.479 2.555 -5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.235 1.769 -7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.916 5.251 -9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 55 13.218 3.066 -9.926 1.00 0.00 H new ATOM 825 N TYR A 56 9.075 2.449 -3.292 1.00 0.00 N ATOM 826 CA TYR A 56 8.784 1.961 -1.939 1.00 0.00 C ATOM 827 C TYR A 56 7.548 1.078 -1.966 1.00 0.00 C ATOM 828 O TYR A 56 7.532 -0.014 -1.402 1.00 0.00 O ATOM 829 CB TYR A 56 8.561 3.156 -1.000 1.00 0.00 C ATOM 830 CG TYR A 56 8.176 2.713 0.414 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.893 1.704 1.096 1.00 0.00 C ATOM 832 CD2 TYR A 56 7.087 3.330 1.054 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.512 1.327 2.392 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.715 2.949 2.345 1.00 0.00 C ATOM 835 CZ TYR A 56 7.424 1.948 3.014 1.00 0.00 C ATOM 836 OH TYR A 56 7.049 1.569 4.289 1.00 0.00 O ATOM 0 H TYR A 56 8.380 3.096 -3.665 1.00 0.00 H new ATOM 0 HA TYR A 56 9.627 1.374 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.469 3.757 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.776 3.794 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.734 1.223 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.534 4.104 0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.060 0.555 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.877 3.429 2.828 1.00 0.00 H new ATOM 0 HH TYR A 56 6.130 1.228 4.272 1.00 0.00 H new ATOM 846 N LEU A 57 6.516 1.561 -2.642 1.00 0.00 N ATOM 847 CA LEU A 57 5.278 0.820 -2.763 1.00 0.00 C ATOM 848 C LEU A 57 5.519 -0.474 -3.538 1.00 0.00 C ATOM 849 O LEU A 57 5.002 -1.539 -3.187 1.00 0.00 O ATOM 850 CB LEU A 57 4.257 1.684 -3.509 1.00 0.00 C ATOM 851 CG LEU A 57 3.662 2.744 -2.558 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.749 3.759 -2.155 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.508 3.469 -3.263 1.00 0.00 C ATOM 0 H LEU A 57 6.516 2.465 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 57 4.901 0.571 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.735 2.173 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.461 1.056 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 57 3.288 2.253 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.321 4.504 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.562 3.239 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.134 4.253 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.086 4.218 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.881 3.956 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.736 2.748 -3.533 1.00 0.00 H new ATOM 865 N LYS A 58 6.321 -0.362 -4.590 1.00 0.00 N ATOM 866 CA LYS A 58 6.649 -1.507 -5.429 1.00 0.00 C ATOM 867 C LYS A 58 7.606 -2.430 -4.702 1.00 0.00 C ATOM 868 O LYS A 58 7.323 -3.603 -4.496 1.00 0.00 O ATOM 869 CB LYS A 58 7.300 -0.998 -6.718 1.00 0.00 C ATOM 870 CG LYS A 58 7.753 -2.166 -7.606 1.00 0.00 C ATOM 871 CD LYS A 58 8.604 -1.613 -8.740 1.00 0.00 C ATOM 872 CE LYS A 58 9.023 -2.761 -9.659 1.00 0.00 C ATOM 873 NZ LYS A 58 9.976 -2.260 -10.688 1.00 0.00 N ATOM 0 H LYS A 58 6.757 0.513 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 58 5.741 -2.063 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.593 -0.374 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.156 -0.370 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.325 -2.886 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.888 -2.695 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.042 -0.867 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.485 -1.112 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.488 -3.555 -9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.146 -3.192 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.258 -3.044 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.518 -1.517 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.818 -1.869 -10.220 1.00 0.00 H new ATOM 887 N LYS A 59 8.741 -1.875 -4.319 1.00 0.00 N ATOM 888 CA LYS A 59 9.762 -2.625 -3.615 1.00 0.00 C ATOM 889 C LYS A 59 9.138 -3.538 -2.565 1.00 0.00 C ATOM 890 O LYS A 59 9.486 -4.713 -2.468 1.00 0.00 O ATOM 891 CB LYS A 59 10.694 -1.617 -2.947 1.00 0.00 C ATOM 892 CG LYS A 59 11.798 -2.307 -2.131 1.00 0.00 C ATOM 893 CD LYS A 59 12.544 -1.242 -1.286 1.00 0.00 C ATOM 894 CE LYS A 59 12.053 -1.277 0.169 1.00 0.00 C ATOM 895 NZ LYS A 59 12.753 -0.221 0.961 1.00 0.00 N ATOM 0 H LYS A 59 8.979 -0.897 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 59 10.311 -3.257 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.148 -0.983 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.114 -0.965 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.366 -3.068 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.496 -2.815 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.617 -1.428 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.379 -0.251 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.975 -1.117 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.244 -2.258 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.419 -0.247 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.778 -0.393 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.550 0.713 0.551 1.00 0.00 H new ATOM 909 N ALA A 60 8.228 -2.992 -1.776 1.00 0.00 N ATOM 910 CA ALA A 60 7.583 -3.776 -0.731 1.00 0.00 C ATOM 911 C ALA A 60 6.695 -4.868 -1.322 1.00 0.00 C ATOM 912 O ALA A 60 6.931 -6.057 -1.109 1.00 0.00 O ATOM 913 CB ALA A 60 6.738 -2.864 0.156 1.00 0.00 C ATOM 0 H ALA A 60 7.920 -2.021 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 60 8.366 -4.251 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.259 -3.457 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.377 -2.110 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.975 -2.374 -0.448 1.00 0.00 H new ATOM 919 N PHE A 61 5.657 -4.454 -2.035 1.00 0.00 N ATOM 920 CA PHE A 61 4.713 -5.390 -2.621 1.00 0.00 C ATOM 921 C PHE A 61 5.441 -6.431 -3.487 1.00 0.00 C ATOM 922 O PHE A 61 5.157 -7.624 -3.397 1.00 0.00 O ATOM 923 CB PHE A 61 3.703 -4.589 -3.471 1.00 0.00 C ATOM 924 CG PHE A 61 2.325 -5.207 -3.363 1.00 0.00 C ATOM 925 CD1 PHE A 61 1.976 -6.326 -4.130 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.400 -4.655 -2.468 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.699 -6.891 -3.999 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.128 -5.218 -2.340 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.225 -6.335 -3.104 1.00 0.00 C ATOM 0 H PHE A 61 5.449 -3.473 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 61 4.191 -5.930 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.673 -3.553 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.023 -4.575 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.688 -6.753 -4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.670 -3.793 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.428 -7.755 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.584 -4.790 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.209 -6.769 -3.004 1.00 0.00 H new ATOM 939 N THR A 62 6.369 -5.972 -4.325 1.00 0.00 N ATOM 940 CA THR A 62 7.117 -6.878 -5.203 1.00 0.00 C ATOM 941 C THR A 62 8.015 -7.821 -4.401 1.00 0.00 C ATOM 942 O THR A 62 8.338 -8.916 -4.863 1.00 0.00 O ATOM 943 CB THR A 62 7.964 -6.078 -6.200 1.00 0.00 C ATOM 944 OG1 THR A 62 8.765 -5.135 -5.502 1.00 0.00 O ATOM 945 CG2 THR A 62 7.043 -5.348 -7.183 1.00 0.00 C ATOM 0 H THR A 62 6.621 -4.988 -4.416 1.00 0.00 H new ATOM 0 HA THR A 62 6.391 -7.481 -5.748 1.00 0.00 H new ATOM 0 HB THR A 62 8.613 -6.759 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.234 -4.716 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.645 -4.779 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.437 -6.076 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.390 -4.669 -6.634 1.00 0.00 H new ATOM 953 N GLU A 63 8.400 -7.408 -3.195 1.00 0.00 N ATOM 954 CA GLU A 63 9.241 -8.250 -2.340 1.00 0.00 C ATOM 955 C GLU A 63 8.377 -9.284 -1.621 1.00 0.00 C ATOM 956 O GLU A 63 8.888 -10.191 -0.965 1.00 0.00 O ATOM 957 CB GLU A 63 10.005 -7.382 -1.325 1.00 0.00 C ATOM 958 CG GLU A 63 11.276 -6.816 -1.973 1.00 0.00 C ATOM 959 CD GLU A 63 11.892 -5.754 -1.071 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.149 -5.138 -0.328 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.095 -5.565 -1.142 1.00 0.00 O ATOM 0 H GLU A 63 8.148 -6.507 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 63 9.969 -8.773 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.369 -6.567 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.266 -7.976 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.993 -7.618 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.037 -6.385 -2.945 1.00 0.00 H new ATOM 968 N GLY A 64 7.066 -9.144 -1.774 1.00 0.00 N ATOM 969 CA GLY A 64 6.118 -10.071 -1.166 1.00 0.00 C ATOM 970 C GLY A 64 6.438 -10.348 0.301 1.00 0.00 C ATOM 971 O GLY A 64 5.880 -11.274 0.893 1.00 0.00 O ATOM 0 H GLY A 64 6.634 -8.395 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.111 -9.661 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.124 -11.009 -1.720 1.00 0.00 H new ATOM 975 N TRP A 65 7.323 -9.546 0.897 1.00 0.00 N ATOM 976 CA TRP A 65 7.673 -9.739 2.304 1.00 0.00 C ATOM 977 C TRP A 65 6.626 -9.098 3.202 1.00 0.00 C ATOM 978 O TRP A 65 6.764 -9.066 4.425 1.00 0.00 O ATOM 979 CB TRP A 65 9.091 -9.203 2.614 1.00 0.00 C ATOM 980 CG TRP A 65 9.261 -7.692 2.483 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.290 -6.726 2.456 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.530 -6.964 2.388 1.00 0.00 C ATOM 983 NE1 TRP A 65 8.894 -5.485 2.364 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.261 -5.578 2.314 1.00 0.00 C ATOM 985 CE3 TRP A 65 11.877 -7.372 2.360 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.279 -4.634 2.219 1.00 0.00 C ATOM 987 CZ3 TRP A 65 12.909 -6.422 2.261 1.00 0.00 C ATOM 988 CH2 TRP A 65 12.609 -5.055 2.192 1.00 0.00 C ATOM 0 H TRP A 65 7.802 -8.771 0.437 1.00 0.00 H new ATOM 0 HA TRP A 65 7.686 -10.810 2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.358 -9.495 3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.800 -9.691 1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.226 -6.904 2.499 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.382 -4.603 2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 65 12.120 -8.423 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.041 -3.582 2.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 13.938 -6.748 2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.405 -4.329 2.118 1.00 0.00 H new ATOM 999 N LEU A 66 5.581 -8.573 2.565 1.00 0.00 N ATOM 1000 CA LEU A 66 4.497 -7.906 3.277 1.00 0.00 C ATOM 1001 C LEU A 66 3.807 -8.918 4.193 1.00 0.00 C ATOM 1002 O LEU A 66 3.348 -8.601 5.292 1.00 0.00 O ATOM 1003 CB LEU A 66 3.506 -7.310 2.250 1.00 0.00 C ATOM 1004 CG LEU A 66 2.841 -6.034 2.811 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.024 -5.319 1.718 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.931 -6.384 3.998 1.00 0.00 C ATOM 0 H LEU A 66 5.464 -8.598 1.552 1.00 0.00 H new ATOM 0 HA LEU A 66 4.884 -7.092 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.031 -7.075 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.741 -8.047 2.005 1.00 0.00 H new ATOM 0 HG LEU A 66 3.629 -5.363 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.564 -4.423 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.683 -5.040 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.246 -5.988 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.469 -5.475 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.154 -7.075 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.523 -6.851 4.785 1.00 0.00 H new ATOM 1018 N GLU A 67 3.770 -10.155 3.748 1.00 0.00 N ATOM 1019 CA GLU A 67 3.184 -11.197 4.560 1.00 0.00 C ATOM 1020 C GLU A 67 4.057 -11.371 5.797 1.00 0.00 C ATOM 1021 O GLU A 67 3.567 -11.380 6.932 1.00 0.00 O ATOM 1022 CB GLU A 67 3.083 -12.501 3.738 1.00 0.00 C ATOM 1023 CG GLU A 67 3.300 -13.726 4.632 1.00 0.00 C ATOM 1024 CD GLU A 67 2.900 -14.996 3.895 1.00 0.00 C ATOM 1025 OE1 GLU A 67 2.289 -14.881 2.846 1.00 0.00 O ATOM 1026 OE2 GLU A 67 3.212 -16.066 4.390 1.00 0.00 O ATOM 0 H GLU A 67 4.132 -10.460 2.844 1.00 0.00 H new ATOM 0 HA GLU A 67 2.173 -10.934 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.104 -12.561 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.825 -12.492 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.346 -13.785 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.713 -13.627 5.545 1.00 0.00 H new ATOM 1033 N GLY A 68 5.358 -11.490 5.565 1.00 0.00 N ATOM 1034 CA GLY A 68 6.290 -11.642 6.662 1.00 0.00 C ATOM 1035 C GLY A 68 6.129 -10.472 7.610 1.00 0.00 C ATOM 1036 O GLY A 68 6.070 -10.651 8.824 1.00 0.00 O ATOM 0 H GLY A 68 5.783 -11.484 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.105 -12.580 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.312 -11.684 6.285 1.00 0.00 H new ATOM 1040 N TRP A 69 6.016 -9.265 7.048 1.00 0.00 N ATOM 1041 CA TRP A 69 5.831 -8.076 7.872 1.00 0.00 C ATOM 1042 C TRP A 69 4.820 -8.378 8.976 1.00 0.00 C ATOM 1043 O TRP A 69 5.129 -8.288 10.155 1.00 0.00 O ATOM 1044 CB TRP A 69 5.327 -6.894 7.025 1.00 0.00 C ATOM 1045 CG TRP A 69 6.457 -6.123 6.409 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.727 -6.555 6.211 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.404 -4.770 5.900 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.453 -5.536 5.618 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.676 -4.415 5.403 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.373 -3.826 5.829 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.916 -3.159 4.850 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.602 -2.564 5.276 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.875 -2.227 4.784 1.00 0.00 C ATOM 0 H TRP A 69 6.049 -9.090 6.044 1.00 0.00 H new ATOM 0 HA TRP A 69 6.792 -7.803 8.309 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.670 -7.265 6.238 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.732 -6.228 7.650 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.109 -7.531 6.472 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.440 -5.605 5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.392 -4.076 6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.897 -2.907 4.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.798 -1.844 5.226 1.00 0.00 H new ATOM 0 HH2 TRP A 69 7.049 -1.251 4.356 1.00 0.00 H new ATOM 1064 N ARG A 70 3.620 -8.775 8.575 1.00 0.00 N ATOM 1065 CA ARG A 70 2.568 -9.096 9.545 1.00 0.00 C ATOM 1066 C ARG A 70 3.038 -10.116 10.569 1.00 0.00 C ATOM 1067 O ARG A 70 2.716 -10.013 11.752 1.00 0.00 O ATOM 1068 CB ARG A 70 1.367 -9.676 8.815 1.00 0.00 C ATOM 1069 CG ARG A 70 0.687 -8.583 7.988 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.426 -9.210 7.158 1.00 0.00 C ATOM 1071 NE ARG A 70 0.142 -10.170 6.218 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.648 -10.969 5.504 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.943 -10.864 5.613 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -0.136 -11.857 4.696 1.00 0.00 N ATOM 0 H ARG A 70 3.347 -8.883 7.598 1.00 0.00 H new ATOM 0 HA ARG A 70 2.306 -8.173 10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.684 -10.492 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.661 -10.095 9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.280 -7.813 8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.413 -8.096 7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.144 -9.707 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.970 -8.435 6.617 1.00 0.00 H new ATOM 0 HE ARG A 70 1.154 -10.230 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.347 -10.172 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.552 -11.474 5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.877 -11.943 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.748 -12.465 4.153 1.00 0.00 H new ATOM 1088 N LYS A 71 3.778 -11.115 10.112 1.00 0.00 N ATOM 1089 CA LYS A 71 4.260 -12.166 11.020 1.00 0.00 C ATOM 1090 C LYS A 71 5.588 -11.782 11.664 1.00 0.00 C ATOM 1091 O LYS A 71 6.121 -12.517 12.494 1.00 0.00 O ATOM 1092 CB LYS A 71 4.444 -13.498 10.278 1.00 0.00 C ATOM 1093 CG LYS A 71 3.138 -13.998 9.608 1.00 0.00 C ATOM 1094 CD LYS A 71 1.945 -13.853 10.564 1.00 0.00 C ATOM 1095 CE LYS A 71 0.749 -14.670 10.058 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.415 -14.451 10.965 1.00 0.00 N ATOM 0 H LYS A 71 4.058 -11.227 9.138 1.00 0.00 H new ATOM 0 HA LYS A 71 3.502 -12.280 11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.216 -13.381 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.799 -14.253 10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.951 -13.430 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.251 -15.042 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.227 -14.190 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.666 -12.803 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.494 -14.372 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.005 -15.729 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.228 -15.003 10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.167 -14.756 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.662 -13.441 10.975 1.00 0.00 H new ATOM 1110 N ARG A 72 6.121 -10.638 11.270 1.00 0.00 N ATOM 1111 CA ARG A 72 7.394 -10.156 11.797 1.00 0.00 C ATOM 1112 C ARG A 72 7.199 -9.249 12.993 1.00 0.00 C ATOM 1113 O ARG A 72 8.042 -9.172 13.888 1.00 0.00 O ATOM 1114 CB ARG A 72 8.090 -9.381 10.682 1.00 0.00 C ATOM 1115 CG ARG A 72 8.863 -10.338 9.779 1.00 0.00 C ATOM 1116 CD ARG A 72 9.439 -9.557 8.608 1.00 0.00 C ATOM 1117 NE ARG A 72 10.202 -10.439 7.746 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.142 -9.968 6.934 1.00 0.00 C ATOM 1119 NH1 ARG A 72 11.402 -8.690 6.909 1.00 0.00 N ATOM 1120 NH2 ARG A 72 11.806 -10.785 6.163 1.00 0.00 N ATOM 0 H ARG A 72 5.691 -10.019 10.582 1.00 0.00 H new ATOM 0 HA ARG A 72 7.990 -11.006 12.127 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.353 -8.832 10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.770 -8.645 11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.663 -10.821 10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.205 -11.128 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.634 -9.090 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.078 -8.754 8.976 1.00 0.00 H new ATOM 0 HE ARG A 72 10.013 -11.441 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.884 -8.052 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.124 -8.329 6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.603 -11.784 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.528 -10.424 5.539 1.00 0.00 H new ATOM 1134 N GLY A 73 6.104 -8.532 12.961 1.00 0.00 N ATOM 1135 CA GLY A 73 5.782 -7.555 14.009 1.00 0.00 C ATOM 1136 C GLY A 73 5.854 -6.134 13.435 1.00 0.00 C ATOM 1137 O GLY A 73 5.531 -5.164 14.117 1.00 0.00 O ATOM 0 H GLY A 73 5.406 -8.597 12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.784 -7.747 14.404 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.479 -7.657 14.841 1.00 0.00 H new ATOM 1141 N TRP A 74 6.289 -6.058 12.171 1.00 0.00 N ATOM 1142 CA TRP A 74 6.430 -4.804 11.414 1.00 0.00 C ATOM 1143 C TRP A 74 7.683 -4.016 11.771 1.00 0.00 C ATOM 1144 O TRP A 74 7.667 -3.093 12.584 1.00 0.00 O ATOM 1145 CB TRP A 74 5.163 -3.917 11.493 1.00 0.00 C ATOM 1146 CG TRP A 74 4.157 -4.489 10.556 1.00 0.00 C ATOM 1147 CD1 TRP A 74 3.872 -5.794 10.448 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.335 -3.808 9.583 1.00 0.00 C ATOM 1149 NE1 TRP A 74 2.977 -5.972 9.419 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.590 -4.771 8.870 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.178 -2.468 9.251 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 1.711 -4.410 7.850 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.297 -2.090 8.243 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.553 -3.063 7.531 1.00 0.00 C ATOM 0 H TRP A 74 6.559 -6.882 11.634 1.00 0.00 H new ATOM 0 HA TRP A 74 6.548 -5.113 10.375 1.00 0.00 H new ATOM 0 HB2 TRP A 74 4.772 -3.897 12.510 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.398 -2.888 11.222 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.279 -6.579 11.068 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.642 -6.882 9.102 1.00 0.00 H new ATOM 0 HE3 TRP A 74 3.744 -1.715 9.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.158 -5.166 7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.179 -1.044 8.001 1.00 0.00 H new ATOM 0 HH2 TRP A 74 0.871 -2.764 6.749 1.00 0.00 H new ATOM 1165 N ARG A 75 8.754 -4.395 11.083 1.00 0.00 N ATOM 1166 CA ARG A 75 10.062 -3.763 11.207 1.00 0.00 C ATOM 1167 C ARG A 75 10.644 -3.655 9.803 1.00 0.00 C ATOM 1168 O ARG A 75 10.082 -4.203 8.854 1.00 0.00 O ATOM 1169 CB ARG A 75 11.007 -4.617 12.078 1.00 0.00 C ATOM 1170 CG ARG A 75 10.836 -4.289 13.572 1.00 0.00 C ATOM 1171 CD ARG A 75 9.620 -5.033 14.169 1.00 0.00 C ATOM 1172 NE ARG A 75 8.753 -4.079 14.843 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.988 -3.691 16.093 1.00 0.00 C ATOM 1174 NH1 ARG A 75 10.030 -4.145 16.734 1.00 0.00 N ATOM 1175 NH2 ARG A 75 8.180 -2.847 16.674 1.00 0.00 N ATOM 0 H ARG A 75 8.737 -5.163 10.412 1.00 0.00 H new ATOM 0 HA ARG A 75 9.958 -2.786 11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.804 -5.675 11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.040 -4.439 11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.739 -4.568 14.115 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.707 -3.214 13.699 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.070 -5.546 13.380 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.956 -5.796 14.872 1.00 0.00 H new ATOM 0 HE ARG A 75 7.947 -3.699 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.666 -4.798 16.276 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.209 -3.846 17.693 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.370 -2.486 16.169 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.358 -2.548 17.633 1.00 0.00 H new ATOM 1189 N THR A 76 11.776 -2.982 9.660 1.00 0.00 N ATOM 1190 CA THR A 76 12.398 -2.870 8.350 1.00 0.00 C ATOM 1191 C THR A 76 13.314 -4.038 8.127 1.00 0.00 C ATOM 1192 O THR A 76 13.663 -4.765 9.056 1.00 0.00 O ATOM 1193 CB THR A 76 13.190 -1.583 8.228 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.264 -1.616 9.154 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.251 -0.396 8.490 1.00 0.00 C ATOM 0 H THR A 76 12.274 -2.514 10.418 1.00 0.00 H new ATOM 0 HA THR A 76 11.609 -2.863 7.598 1.00 0.00 H new ATOM 0 HB THR A 76 13.607 -1.473 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.942 -1.951 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.810 0.536 8.405 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.443 -0.403 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.832 -0.478 9.493 1.00 0.00 H new ATOM 1203 N ALA A 77 13.689 -4.221 6.887 1.00 0.00 N ATOM 1204 CA ALA A 77 14.554 -5.325 6.541 1.00 0.00 C ATOM 1205 C ALA A 77 15.797 -5.333 7.419 1.00 0.00 C ATOM 1206 O ALA A 77 16.553 -6.306 7.431 1.00 0.00 O ATOM 1207 CB ALA A 77 14.932 -5.249 5.056 1.00 0.00 C ATOM 0 H ALA A 77 13.413 -3.627 6.105 1.00 0.00 H new ATOM 0 HA ALA A 77 14.018 -6.258 6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.584 -6.085 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.029 -5.297 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.452 -4.311 4.860 1.00 0.00 H new ATOM 1213 N GLU A 78 16.008 -4.249 8.165 1.00 0.00 N ATOM 1214 CA GLU A 78 17.164 -4.158 9.053 1.00 0.00 C ATOM 1215 C GLU A 78 16.799 -4.620 10.459 1.00 0.00 C ATOM 1216 O GLU A 78 17.549 -5.360 11.096 1.00 0.00 O ATOM 1217 CB GLU A 78 17.666 -2.714 9.110 1.00 0.00 C ATOM 1218 CG GLU A 78 19.118 -2.691 9.575 1.00 0.00 C ATOM 1219 CD GLU A 78 19.648 -1.262 9.569 1.00 0.00 C ATOM 1220 OE1 GLU A 78 19.025 -0.424 8.937 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.665 -1.026 10.198 1.00 0.00 O ATOM 0 H GLU A 78 15.400 -3.430 8.172 1.00 0.00 H new ATOM 0 HA GLU A 78 17.949 -4.804 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.582 -2.251 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.047 -2.130 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.193 -3.111 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.727 -3.316 8.922 1.00 0.00 H new ATOM 1228 N GLY A 79 15.634 -4.185 10.931 1.00 0.00 N ATOM 1229 CA GLY A 79 15.160 -4.560 12.262 1.00 0.00 C ATOM 1230 C GLY A 79 14.611 -3.360 13.018 1.00 0.00 C ATOM 1231 O GLY A 79 14.221 -3.476 14.179 1.00 0.00 O ATOM 0 H GLY A 79 15.002 -3.574 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.384 -5.320 12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.978 -5.005 12.829 1.00 0.00 H new ATOM 1235 N LYS A 80 14.559 -2.209 12.350 1.00 0.00 N ATOM 1236 CA LYS A 80 14.026 -0.989 12.973 1.00 0.00 C ATOM 1237 C LYS A 80 12.567 -0.796 12.529 1.00 0.00 C ATOM 1238 O LYS A 80 12.199 -1.223 11.437 1.00 0.00 O ATOM 1239 CB LYS A 80 14.898 0.241 12.618 1.00 0.00 C ATOM 1240 CG LYS A 80 14.737 0.662 11.130 1.00 0.00 C ATOM 1241 CD LYS A 80 16.120 0.800 10.431 1.00 0.00 C ATOM 1242 CE LYS A 80 16.008 0.600 8.905 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.865 1.606 8.214 1.00 0.00 N ATOM 0 H LYS A 80 14.875 -2.091 11.387 1.00 0.00 H new ATOM 0 HA LYS A 80 14.053 -1.092 14.058 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.625 1.077 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.945 0.013 12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.133 -0.077 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.202 1.610 11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.537 1.785 10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.812 0.067 10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.321 -0.409 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.971 0.708 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.595 1.662 7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.736 2.537 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.863 1.322 8.289 1.00 0.00 H new ATOM 1257 N PRO A 81 11.722 -0.198 13.343 1.00 0.00 N ATOM 1258 CA PRO A 81 10.289 -0.003 12.981 1.00 0.00 C ATOM 1259 C PRO A 81 10.106 0.445 11.530 1.00 0.00 C ATOM 1260 O PRO A 81 11.030 0.958 10.899 1.00 0.00 O ATOM 1261 CB PRO A 81 9.788 1.069 13.961 1.00 0.00 C ATOM 1262 CG PRO A 81 10.733 1.038 15.134 1.00 0.00 C ATOM 1263 CD PRO A 81 12.029 0.338 14.677 1.00 0.00 C ATOM 0 HA PRO A 81 9.730 -0.936 13.055 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.781 2.053 13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.766 0.860 14.278 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.947 2.050 15.479 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.285 0.503 15.971 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.863 1.038 14.638 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.312 -0.457 15.366 1.00 0.00 H new ATOM 1271 N VAL A 82 8.901 0.223 11.017 1.00 0.00 N ATOM 1272 CA VAL A 82 8.565 0.578 9.634 1.00 0.00 C ATOM 1273 C VAL A 82 8.012 1.996 9.590 1.00 0.00 C ATOM 1274 O VAL A 82 7.195 2.363 10.415 1.00 0.00 O ATOM 1275 CB VAL A 82 7.499 -0.404 9.068 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.759 -0.716 7.588 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.534 -1.719 9.847 1.00 0.00 C ATOM 0 H VAL A 82 8.134 -0.203 11.537 1.00 0.00 H new ATOM 0 HA VAL A 82 9.468 0.514 9.027 1.00 0.00 H new ATOM 0 HB VAL A 82 6.525 0.076 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.997 -1.405 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.722 0.207 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.743 -1.172 7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.785 -2.401 9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.522 -2.170 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.320 -1.525 10.898 1.00 0.00 H new ATOM 1287 N LYS A 83 8.431 2.780 8.617 1.00 0.00 N ATOM 1288 CA LYS A 83 7.929 4.122 8.487 1.00 0.00 C ATOM 1289 C LYS A 83 6.602 4.066 7.737 1.00 0.00 C ATOM 1290 O LYS A 83 6.423 3.209 6.879 1.00 0.00 O ATOM 1291 CB LYS A 83 8.938 4.957 7.704 1.00 0.00 C ATOM 1292 CG LYS A 83 10.359 4.724 8.233 1.00 0.00 C ATOM 1293 CD LYS A 83 10.442 5.062 9.724 1.00 0.00 C ATOM 1294 CE LYS A 83 11.900 4.994 10.181 1.00 0.00 C ATOM 1295 NZ LYS A 83 11.978 5.352 11.625 1.00 0.00 N ATOM 0 H LYS A 83 9.115 2.508 7.911 1.00 0.00 H new ATOM 0 HA LYS A 83 7.779 4.575 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.891 4.697 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.683 6.014 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.646 3.685 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.066 5.339 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.039 6.058 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.836 4.363 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.298 3.992 10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.511 5.677 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.968 5.307 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.614 6.316 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.407 4.683 12.180 1.00 0.00 H new ATOM 1309 N ASN A 84 5.683 4.970 8.080 1.00 0.00 N ATOM 1310 CA ASN A 84 4.366 5.017 7.441 1.00 0.00 C ATOM 1311 C ASN A 84 3.503 3.844 7.888 1.00 0.00 C ATOM 1312 O ASN A 84 2.411 3.623 7.359 1.00 0.00 O ATOM 1313 CB ASN A 84 4.505 5.002 5.908 1.00 0.00 C ATOM 1314 CG ASN A 84 5.474 6.086 5.447 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.312 6.644 4.361 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.484 6.410 6.202 1.00 0.00 N ATOM 0 H ASN A 84 5.826 5.681 8.798 1.00 0.00 H new ATOM 0 HA ASN A 84 3.882 5.945 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.860 4.025 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.530 5.158 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.142 7.126 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.618 5.948 7.101 1.00 0.00 H new ATOM 1323 N ARG A 85 4.011 3.086 8.851 1.00 0.00 N ATOM 1324 CA ARG A 85 3.289 1.914 9.359 1.00 0.00 C ATOM 1325 C ARG A 85 1.825 2.232 9.616 1.00 0.00 C ATOM 1326 O ARG A 85 0.968 1.359 9.574 1.00 0.00 O ATOM 1327 CB ARG A 85 3.955 1.391 10.650 1.00 0.00 C ATOM 1328 CG ARG A 85 3.738 2.337 11.866 1.00 0.00 C ATOM 1329 CD ARG A 85 4.921 3.293 12.017 1.00 0.00 C ATOM 1330 NE ARG A 85 4.749 4.125 13.196 1.00 0.00 N ATOM 1331 CZ ARG A 85 4.932 3.626 14.413 1.00 0.00 C ATOM 1332 NH1 ARG A 85 5.250 2.370 14.554 1.00 0.00 N ATOM 1333 NH2 ARG A 85 4.793 4.390 15.462 1.00 0.00 N ATOM 0 H ARG A 85 4.913 3.255 9.297 1.00 0.00 H new ATOM 0 HA ARG A 85 3.335 1.138 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.554 0.405 10.886 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.024 1.268 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.818 2.906 11.732 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.620 1.748 12.776 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.848 2.726 12.096 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.006 3.921 11.130 1.00 0.00 H new ATOM 0 HE ARG A 85 4.485 5.104 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.357 1.776 13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.392 1.981 15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.543 5.372 15.348 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.934 4.005 16.396 1.00 0.00 H new ATOM 1347 N ASP A 86 1.556 3.491 9.883 1.00 0.00 N ATOM 1348 CA ASP A 86 0.205 3.934 10.152 1.00 0.00 C ATOM 1349 C ASP A 86 -0.577 4.033 8.861 1.00 0.00 C ATOM 1350 O ASP A 86 -1.759 3.682 8.802 1.00 0.00 O ATOM 1351 CB ASP A 86 0.231 5.291 10.852 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.190 5.806 11.050 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -2.100 4.995 11.039 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.346 7.005 11.208 1.00 0.00 O ATOM 0 H ASP A 86 2.258 4.230 9.920 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.281 3.208 10.803 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.731 5.202 11.816 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.805 6.003 10.260 1.00 0.00 H new ATOM 1359 N LEU A 87 0.095 4.491 7.816 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.552 4.610 6.531 1.00 0.00 C ATOM 1361 C LEU A 87 -0.791 3.222 5.992 1.00 0.00 C ATOM 1362 O LEU A 87 -1.864 2.914 5.487 1.00 0.00 O ATOM 1363 CB LEU A 87 0.328 5.416 5.570 1.00 0.00 C ATOM 1364 CG LEU A 87 0.783 6.735 6.235 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.573 7.601 5.237 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.434 7.526 6.725 1.00 0.00 C ATOM 0 H LEU A 87 1.073 4.781 7.836 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.502 5.134 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.199 4.827 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.225 5.634 4.656 1.00 0.00 H new ATOM 0 HG LEU A 87 1.424 6.484 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.884 8.525 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.453 7.055 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.941 7.837 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.101 8.453 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.082 7.757 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.986 6.931 7.453 1.00 0.00 H new ATOM 1378 N TRP A 88 0.230 2.390 6.137 1.00 0.00 N ATOM 1379 CA TRP A 88 0.181 1.018 5.696 1.00 0.00 C ATOM 1380 C TRP A 88 -0.864 0.215 6.468 1.00 0.00 C ATOM 1381 O TRP A 88 -1.803 -0.318 5.882 1.00 0.00 O ATOM 1382 CB TRP A 88 1.547 0.426 5.952 1.00 0.00 C ATOM 1383 CG TRP A 88 2.505 0.855 4.913 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.563 1.645 5.133 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.515 0.523 3.507 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.222 1.844 3.946 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.614 1.170 2.906 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.681 -0.265 2.703 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.878 1.042 1.551 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.941 -0.401 1.334 1.00 0.00 C ATOM 1391 CH2 TRP A 88 3.038 0.254 0.758 1.00 0.00 C ATOM 0 H TRP A 88 1.116 2.656 6.567 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.092 0.982 4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.905 0.736 6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.481 -0.662 5.966 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.851 2.058 6.088 1.00 0.00 H new ATOM 0 HE1 TRP A 88 5.058 2.419 3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.833 -0.770 3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.726 1.547 1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.295 -1.012 0.721 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.235 0.150 -0.299 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.684 0.121 7.784 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.620 -0.639 8.611 1.00 0.00 C ATOM 1404 C GLU A 89 -3.053 -0.210 8.322 1.00 0.00 C ATOM 1405 O GLU A 89 -3.992 -1.002 8.436 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.329 -0.412 10.101 1.00 0.00 C ATOM 1407 CG GLU A 89 -0.077 -1.184 10.519 1.00 0.00 C ATOM 1408 CD GLU A 89 0.271 -0.859 11.968 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.478 -0.121 12.585 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.283 -1.352 12.438 1.00 0.00 O ATOM 0 H GLU A 89 0.087 0.553 8.294 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.497 -1.695 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.190 0.652 10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.181 -0.736 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.245 -2.255 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.757 -0.922 9.868 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.208 1.052 7.936 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.530 1.598 7.625 1.00 0.00 C ATOM 1419 C ALA A 90 -4.911 1.247 6.197 1.00 0.00 C ATOM 1420 O ALA A 90 -6.049 0.869 5.921 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.533 3.118 7.815 1.00 0.00 C ATOM 0 H ALA A 90 -2.441 1.716 7.830 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.262 1.161 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.522 3.512 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.283 3.356 8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.796 3.569 7.151 1.00 0.00 H new ATOM 1427 N LEU A 91 -3.942 1.330 5.305 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.158 0.977 3.926 1.00 0.00 C ATOM 1429 C LEU A 91 -4.445 -0.526 3.835 1.00 0.00 C ATOM 1430 O LEU A 91 -5.259 -0.962 3.034 1.00 0.00 O ATOM 1431 CB LEU A 91 -2.921 1.432 3.109 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.593 0.463 1.972 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.717 1.180 0.923 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.860 -0.800 2.511 1.00 0.00 C ATOM 0 H LEU A 91 -2.994 1.641 5.518 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.026 1.481 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.104 2.424 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.060 1.516 3.772 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.525 0.139 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.483 0.490 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.257 2.039 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.792 1.518 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.638 -1.473 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.930 -0.502 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.498 -1.311 3.233 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.787 -1.303 4.684 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.992 -2.749 4.712 1.00 0.00 C ATOM 1448 C LEU A 92 -5.401 -3.081 5.204 1.00 0.00 C ATOM 1449 O LEU A 92 -6.078 -3.935 4.635 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.944 -3.414 5.619 1.00 0.00 C ATOM 1451 CG LEU A 92 -3.096 -4.956 5.594 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.591 -5.519 4.258 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -2.296 -5.593 6.746 1.00 0.00 C ATOM 0 H LEU A 92 -3.107 -0.959 5.362 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.879 -3.135 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.943 -3.137 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.056 -3.049 6.640 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.153 -5.196 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.704 -6.603 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.171 -5.091 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.539 -5.263 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.413 -6.676 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.241 -5.339 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.667 -5.215 7.699 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.843 -2.395 6.252 1.00 0.00 N ATOM 1466 CA LEU A 93 -7.182 -2.628 6.787 1.00 0.00 C ATOM 1467 C LEU A 93 -8.217 -2.136 5.794 1.00 0.00 C ATOM 1468 O LEU A 93 -9.294 -2.715 5.643 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.351 -1.905 8.131 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.682 -2.718 9.259 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.311 -1.789 10.416 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.650 -3.786 9.779 1.00 0.00 C ATOM 0 H LEU A 93 -5.304 -1.682 6.743 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.321 -3.697 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.907 -0.911 8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.410 -1.769 8.349 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.786 -3.194 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.839 -2.367 11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.618 -1.026 10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.211 -1.311 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.170 -4.355 10.575 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.548 -3.305 10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.922 -4.458 8.965 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.860 -1.063 5.120 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.730 -0.461 4.117 1.00 0.00 C ATOM 1486 C ALA A 94 -8.655 -1.236 2.802 1.00 0.00 C ATOM 1487 O ALA A 94 -9.502 -1.064 1.932 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.323 0.994 3.877 1.00 0.00 C ATOM 0 H ALA A 94 -6.969 -0.583 5.246 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.755 -0.496 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.978 1.436 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.408 1.554 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.292 1.030 3.525 1.00 0.00 H new ATOM 1494 N MET A 95 -7.642 -2.098 2.669 1.00 0.00 N ATOM 1495 CA MET A 95 -7.471 -2.908 1.450 1.00 0.00 C ATOM 1496 C MET A 95 -8.096 -4.278 1.604 1.00 0.00 C ATOM 1497 O MET A 95 -8.054 -5.099 0.688 1.00 0.00 O ATOM 1498 CB MET A 95 -5.983 -3.060 1.099 1.00 0.00 C ATOM 1499 CG MET A 95 -5.529 -1.852 0.290 1.00 0.00 C ATOM 1500 SD MET A 95 -3.740 -1.906 -0.060 1.00 0.00 S ATOM 1501 CE MET A 95 -3.526 -3.643 -0.535 1.00 0.00 C ATOM 0 H MET A 95 -6.930 -2.255 3.383 1.00 0.00 H new ATOM 0 HA MET A 95 -7.979 -2.383 0.641 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.390 -3.146 2.010 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.824 -3.975 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.082 -1.814 -0.648 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.765 -0.939 0.836 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.586 -3.760 -1.074 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.511 -4.266 0.360 1.00 0.00 H new ATOM 0 HE3 MET A 95 -4.352 -3.949 -1.177 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.663 -4.520 2.752 1.00 0.00 N ATOM 1512 CA ALA A 96 -9.288 -5.807 3.003 1.00 0.00 C ATOM 1513 C ALA A 96 -10.541 -5.955 2.130 1.00 0.00 C ATOM 1514 O ALA A 96 -10.701 -6.963 1.443 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.613 -5.966 4.507 1.00 0.00 C ATOM 0 H ALA A 96 -8.711 -3.858 3.527 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.595 -6.605 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -10.081 -6.936 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.693 -5.900 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.295 -5.174 4.818 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.423 -4.981 2.134 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.679 -5.026 1.317 1.00 0.00 C ATOM 1523 C PRO A 97 -12.399 -5.037 -0.192 1.00 0.00 C ATOM 1524 O PRO A 97 -13.075 -5.728 -0.953 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.433 -3.741 1.726 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.807 -3.321 3.015 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.344 -3.729 2.900 1.00 0.00 C ATOM 0 HA PRO A 97 -13.247 -5.938 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.332 -2.965 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.499 -3.931 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.905 -2.246 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.287 -3.809 3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.751 -2.974 2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.886 -3.880 3.878 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.413 -4.239 -0.615 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.066 -4.133 -2.036 1.00 0.00 C ATOM 1537 C HIS A 98 -9.979 -5.124 -2.422 1.00 0.00 C ATOM 1538 O HIS A 98 -9.222 -5.600 -1.576 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.563 -2.716 -2.330 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.378 -1.738 -1.537 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.748 -1.668 -1.657 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -11.037 -0.814 -0.584 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -13.187 -0.743 -0.797 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -12.185 -0.184 -0.113 1.00 0.00 N ATOM 0 H HIS A 98 -10.844 -3.660 0.002 1.00 0.00 H new ATOM 0 HA HIS A 98 -11.961 -4.356 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.509 -2.628 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.646 -2.500 -3.395 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.031 -0.607 -0.250 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.227 -0.480 -0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.248 0.544 0.598 1.00 0.00 H new ATOM 1552 N ARG A 99 -9.895 -5.407 -3.722 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.870 -6.326 -4.237 1.00 0.00 C ATOM 1554 C ARG A 99 -7.755 -5.526 -4.887 1.00 0.00 C ATOM 1555 O ARG A 99 -6.794 -6.098 -5.403 1.00 0.00 O ATOM 1556 CB ARG A 99 -9.471 -7.297 -5.273 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.028 -8.544 -4.582 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.174 -8.158 -3.649 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.798 -9.362 -3.111 1.00 0.00 N ATOM 1560 CZ ARG A 99 -11.278 -10.002 -2.068 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -10.198 -9.549 -1.493 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -11.848 -11.087 -1.621 1.00 0.00 N ATOM 0 H ARG A 99 -10.515 -5.020 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.477 -6.907 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.264 -6.798 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.707 -7.585 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.380 -9.256 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.239 -9.039 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.800 -7.536 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.912 -7.565 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.650 -9.720 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.751 -8.702 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.801 -10.042 -0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.691 -11.443 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.451 -11.579 -0.821 1.00 0.00 H new ATOM 1576 N VAL A 100 -7.920 -4.207 -4.857 1.00 0.00 N ATOM 1577 CA VAL A 100 -6.961 -3.254 -5.443 1.00 0.00 C ATOM 1578 C VAL A 100 -5.716 -3.945 -6.004 1.00 0.00 C ATOM 1579 O VAL A 100 -4.932 -4.544 -5.271 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.549 -2.224 -4.381 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -6.161 -2.943 -3.071 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.360 -1.397 -4.898 1.00 0.00 C ATOM 0 H VAL A 100 -8.727 -3.758 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.459 -2.760 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.389 -1.559 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.870 -2.205 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.013 -3.515 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.325 -3.617 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.069 -0.667 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.519 -2.059 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.648 -0.878 -5.813 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.551 -3.853 -7.310 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.410 -4.463 -7.972 1.00 0.00 C ATOM 1594 C ARG A 101 -3.240 -3.487 -8.001 1.00 0.00 C ATOM 1595 O ARG A 101 -3.433 -2.269 -7.975 1.00 0.00 O ATOM 1596 CB ARG A 101 -4.812 -4.839 -9.394 1.00 0.00 C ATOM 1597 CG ARG A 101 -5.956 -5.870 -9.362 1.00 0.00 C ATOM 1598 CD ARG A 101 -6.833 -5.698 -10.604 1.00 0.00 C ATOM 1599 NE ARG A 101 -7.788 -6.794 -10.709 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.398 -7.999 -11.107 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.148 -8.211 -11.413 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.267 -8.970 -11.193 1.00 0.00 N ATOM 0 H ARG A 101 -6.191 -3.362 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.102 -5.356 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.128 -3.949 -9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.955 -5.251 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.548 -6.880 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.554 -5.738 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.365 -4.748 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.208 -5.665 -11.496 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.767 -6.633 -10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.471 -7.451 -11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.848 -9.137 -11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.244 -8.802 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -7.968 -9.896 -11.499 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.028 -4.027 -8.064 1.00 0.00 N ATOM 1617 CA PHE A 102 -0.821 -3.203 -8.108 1.00 0.00 C ATOM 1618 C PHE A 102 -0.216 -3.255 -9.509 1.00 0.00 C ATOM 1619 O PHE A 102 0.036 -4.334 -10.048 1.00 0.00 O ATOM 1620 CB PHE A 102 0.203 -3.719 -7.088 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.107 -3.200 -5.690 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.371 -3.408 -5.114 1.00 0.00 C ATOM 1623 CD2 PHE A 102 0.889 -2.535 -4.955 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.630 -2.957 -3.810 1.00 0.00 C ATOM 1625 CE2 PHE A 102 0.624 -2.081 -3.662 1.00 0.00 C ATOM 1626 CZ PHE A 102 -0.632 -2.294 -3.089 1.00 0.00 C ATOM 0 H PHE A 102 -1.853 -5.032 -8.086 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.083 -2.174 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.199 -4.809 -7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.204 -3.405 -7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.143 -3.915 -5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.863 -2.375 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.600 -3.122 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.391 -1.564 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.833 -1.946 -2.087 1.00 0.00 H new ATOM 1636 N HIS A 103 0.019 -2.082 -10.088 1.00 0.00 N ATOM 1637 CA HIS A 103 0.600 -1.984 -11.426 1.00 0.00 C ATOM 1638 C HIS A 103 1.723 -0.953 -11.426 1.00 0.00 C ATOM 1639 O HIS A 103 1.513 0.206 -11.770 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.487 -1.563 -12.432 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.211 -2.774 -12.966 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -0.923 -3.310 -14.212 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.206 -3.562 -12.440 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -1.729 -4.372 -14.393 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.530 -4.570 -13.344 1.00 0.00 N ATOM 0 H HIS A 103 -0.184 -1.183 -9.652 1.00 0.00 H new ATOM 0 HA HIS A 103 1.003 -2.955 -11.714 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.197 -0.891 -11.949 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.034 -1.010 -13.255 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.666 -3.421 -11.473 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.728 -4.989 -15.279 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.230 -5.303 -13.229 1.00 0.00 H new ATOM 1653 N PHE A 104 2.913 -1.374 -11.042 1.00 0.00 N ATOM 1654 CA PHE A 104 4.036 -0.461 -11.003 1.00 0.00 C ATOM 1655 C PHE A 104 4.336 0.065 -12.411 1.00 0.00 C ATOM 1656 O PHE A 104 5.006 -0.599 -13.202 1.00 0.00 O ATOM 1657 CB PHE A 104 5.273 -1.168 -10.407 1.00 0.00 C ATOM 1658 CG PHE A 104 4.835 -2.384 -9.618 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.387 -2.239 -8.299 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.871 -3.652 -10.211 1.00 0.00 C ATOM 1661 CE1 PHE A 104 3.978 -3.364 -7.572 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.461 -4.776 -9.483 1.00 0.00 C ATOM 1663 CZ PHE A 104 4.015 -4.632 -8.165 1.00 0.00 C ATOM 0 H PHE A 104 3.125 -2.330 -10.756 1.00 0.00 H new ATOM 0 HA PHE A 104 3.784 0.387 -10.366 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.953 -1.466 -11.205 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.820 -0.481 -9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.357 -1.260 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.215 -3.763 -11.229 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.634 -3.254 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.489 -5.754 -9.939 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.699 -5.499 -7.604 1.00 0.00 H new ATOM 1673 N VAL A 105 3.833 1.263 -12.711 1.00 0.00 N ATOM 1674 CA VAL A 105 4.038 1.885 -14.007 1.00 0.00 C ATOM 1675 C VAL A 105 5.229 2.826 -13.934 1.00 0.00 C ATOM 1676 O VAL A 105 5.089 4.028 -13.723 1.00 0.00 O ATOM 1677 CB VAL A 105 2.764 2.649 -14.417 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.058 3.615 -15.581 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.696 1.635 -14.852 1.00 0.00 C ATOM 0 H VAL A 105 3.277 1.821 -12.063 1.00 0.00 H new ATOM 0 HA VAL A 105 4.243 1.121 -14.757 1.00 0.00 H new ATOM 0 HB VAL A 105 2.410 3.231 -13.567 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.145 4.144 -15.854 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.816 4.335 -15.274 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.421 3.050 -16.440 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.789 2.165 -15.145 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.067 1.056 -15.698 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.473 0.964 -14.023 1.00 0.00 H new ATOM 1689 N LYS A 106 6.402 2.250 -14.119 1.00 0.00 N ATOM 1690 CA LYS A 106 7.654 3.007 -14.095 1.00 0.00 C ATOM 1691 C LYS A 106 8.282 3.017 -15.484 1.00 0.00 C ATOM 1692 O LYS A 106 8.123 2.036 -16.191 1.00 0.00 O ATOM 1693 CB LYS A 106 8.635 2.370 -13.113 1.00 0.00 C ATOM 1694 CG LYS A 106 8.102 2.496 -11.689 1.00 0.00 C ATOM 1695 CD LYS A 106 9.073 1.813 -10.723 1.00 0.00 C ATOM 1696 CE LYS A 106 8.558 1.960 -9.292 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.499 1.285 -8.355 1.00 0.00 N ATOM 0 H LYS A 106 6.521 1.251 -14.290 1.00 0.00 H new ATOM 0 HA LYS A 106 7.435 4.028 -13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.783 1.319 -13.363 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.608 2.856 -13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.986 3.547 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.116 2.038 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.174 0.758 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.064 2.258 -10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.465 3.015 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.564 1.522 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.011 1.083 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.830 0.394 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.313 1.906 -8.174 1.00 0.00 H new