USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= -0.071 USER MOD Single : A 30 SER OG : rot 180:sc= -0.379 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.878 K(o=-0.88,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.004 USER MOD Single : A 49 SER OG : rot 37:sc= 0.464 USER MOD Single : A 51 SER OG : rot -161:sc= 0.427 USER MOD Single : A 52 SER OG : rot 180:sc= -0.355 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.109 F(o=-0.68,f=-0.11) USER MOD Single : A 91 TYR OH : rot 96:sc= 2.28 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-0.74) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= -3.45 (180deg=-3.53) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.476 10.212 -6.644 1.00 0.00 N ATOM 28 CA LEU A 23 -6.550 8.807 -6.272 1.00 0.00 C ATOM 29 C LEU A 23 -6.332 8.632 -4.775 1.00 0.00 C ATOM 30 O LEU A 23 -5.434 9.234 -4.192 1.00 0.00 O ATOM 31 CB LEU A 23 -5.542 7.995 -7.080 1.00 0.00 C ATOM 32 CG LEU A 23 -5.700 8.138 -8.595 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.623 9.048 -9.166 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.674 6.775 -9.266 1.00 0.00 C ATOM 0 HA LEU A 23 -7.548 8.435 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.535 8.303 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.640 6.943 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.668 8.596 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.755 9.135 -10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.701 10.035 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.640 8.627 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.788 6.897 -10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.724 6.284 -9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.491 6.165 -8.882 1.00 0.00 H new ATOM 46 N ARG A 24 -7.183 7.820 -4.158 1.00 0.00 N ATOM 47 CA ARG A 24 -7.112 7.576 -2.724 1.00 0.00 C ATOM 48 C ARG A 24 -6.454 6.231 -2.421 1.00 0.00 C ATOM 49 O ARG A 24 -6.875 5.190 -2.925 1.00 0.00 O ATOM 50 CB ARG A 24 -8.522 7.641 -2.119 1.00 0.00 C ATOM 51 CG ARG A 24 -8.693 6.863 -0.821 1.00 0.00 C ATOM 52 CD ARG A 24 -9.610 7.594 0.146 1.00 0.00 C ATOM 53 NE ARG A 24 -10.437 6.673 0.921 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.476 7.054 1.661 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.815 8.335 1.732 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.178 6.152 2.334 1.00 0.00 N ATOM 0 H ARG A 24 -7.933 7.318 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.493 8.350 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.777 8.685 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.235 7.261 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.102 5.876 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.719 6.709 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.011 8.201 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.252 8.277 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.205 5.680 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.279 9.034 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.612 8.621 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.922 5.166 2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.974 6.444 2.901 1.00 0.00 H new ATOM 70 N LEU A 25 -5.422 6.269 -1.584 1.00 0.00 N ATOM 71 CA LEU A 25 -4.701 5.070 -1.194 1.00 0.00 C ATOM 72 C LEU A 25 -5.340 4.459 0.046 1.00 0.00 C ATOM 73 O LEU A 25 -5.784 5.177 0.942 1.00 0.00 O ATOM 74 CB LEU A 25 -3.239 5.410 -0.911 1.00 0.00 C ATOM 75 CG LEU A 25 -2.257 4.258 -1.089 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.826 4.733 -0.905 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.567 3.136 -0.119 1.00 0.00 C ATOM 0 H LEU A 25 -5.067 7.127 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.747 4.348 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.939 6.226 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.160 5.779 0.112 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.365 3.878 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.144 3.893 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.600 5.503 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.705 5.145 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.855 2.324 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.492 3.508 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.577 2.768 -0.299 1.00 0.00 H new ATOM 89 N SER A 26 -5.387 3.135 0.096 1.00 0.00 N ATOM 90 CA SER A 26 -5.979 2.445 1.238 1.00 0.00 C ATOM 91 C SER A 26 -5.234 1.152 1.534 1.00 0.00 C ATOM 92 O SER A 26 -5.329 0.186 0.781 1.00 0.00 O ATOM 93 CB SER A 26 -7.455 2.146 0.971 1.00 0.00 C ATOM 94 OG SER A 26 -8.097 3.252 0.360 1.00 0.00 O ATOM 0 H SER A 26 -5.026 2.520 -0.633 1.00 0.00 H new ATOM 0 HA SER A 26 -5.899 3.098 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.541 1.270 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.955 1.903 1.908 1.00 0.00 H new ATOM 0 HG SER A 26 -9.039 3.035 0.198 1.00 0.00 H new ATOM 100 N VAL A 27 -4.489 1.138 2.633 1.00 0.00 N ATOM 101 CA VAL A 27 -3.729 -0.043 3.010 1.00 0.00 C ATOM 102 C VAL A 27 -4.501 -0.924 3.981 1.00 0.00 C ATOM 103 O VAL A 27 -4.835 -0.510 5.091 1.00 0.00 O ATOM 104 CB VAL A 27 -2.367 0.329 3.621 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.527 0.949 4.998 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.466 -0.890 3.683 1.00 0.00 C ATOM 0 H VAL A 27 -4.396 1.926 3.274 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.558 -0.605 2.092 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.902 1.075 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.546 1.200 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.130 1.854 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.021 0.239 5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.506 -0.611 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.934 -1.657 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.310 -1.278 2.677 1.00 0.00 H new ATOM 116 N PHE A 28 -4.784 -2.143 3.543 1.00 0.00 N ATOM 117 CA PHE A 28 -5.518 -3.097 4.349 1.00 0.00 C ATOM 118 C PHE A 28 -4.590 -4.093 5.031 1.00 0.00 C ATOM 119 O PHE A 28 -3.552 -4.472 4.488 1.00 0.00 O ATOM 120 CB PHE A 28 -6.531 -3.848 3.492 1.00 0.00 C ATOM 121 CG PHE A 28 -7.820 -4.061 4.213 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.499 -2.982 4.745 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.341 -5.332 4.380 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.678 -3.159 5.431 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.522 -5.520 5.069 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.193 -4.432 5.596 1.00 0.00 C ATOM 0 H PHE A 28 -4.511 -2.493 2.624 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.039 -2.534 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.716 -3.289 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.115 -4.812 3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.099 -1.987 4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.820 -6.183 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.200 -2.306 5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.921 -6.515 5.196 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.117 -4.576 6.135 1.00 0.00 H new ATOM 136 N ARG A 29 -4.987 -4.517 6.224 1.00 0.00 N ATOM 137 CA ARG A 29 -4.217 -5.476 7.002 1.00 0.00 C ATOM 138 C ARG A 29 -5.149 -6.308 7.873 1.00 0.00 C ATOM 139 O ARG A 29 -5.899 -5.766 8.685 1.00 0.00 O ATOM 140 CB ARG A 29 -3.188 -4.757 7.879 1.00 0.00 C ATOM 141 CG ARG A 29 -2.565 -3.537 7.220 1.00 0.00 C ATOM 142 CD ARG A 29 -1.245 -3.170 7.871 1.00 0.00 C ATOM 143 NE ARG A 29 -1.433 -2.570 9.190 1.00 0.00 N ATOM 144 CZ ARG A 29 -1.883 -1.332 9.381 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.189 -0.563 8.344 1.00 0.00 N ATOM 146 NH2 ARG A 29 -2.029 -0.862 10.613 1.00 0.00 N ATOM 0 H ARG A 29 -5.847 -4.207 6.677 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.687 -6.134 6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.668 -4.451 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.397 -5.459 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.407 -3.735 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.253 -2.694 7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.626 -4.062 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.706 -2.473 7.229 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.207 -3.132 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.080 -0.920 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.533 0.385 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.796 -1.449 11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.374 0.087 10.759 1.00 0.00 H new ATOM 160 N SER A 30 -5.104 -7.622 7.703 1.00 0.00 N ATOM 161 CA SER A 30 -5.956 -8.513 8.483 1.00 0.00 C ATOM 162 C SER A 30 -5.254 -8.926 9.773 1.00 0.00 C ATOM 163 O SER A 30 -5.605 -8.467 10.860 1.00 0.00 O ATOM 164 CB SER A 30 -6.322 -9.753 7.664 1.00 0.00 C ATOM 165 OG SER A 30 -5.168 -10.504 7.329 1.00 0.00 O ATOM 0 H SER A 30 -4.492 -8.094 7.037 1.00 0.00 H new ATOM 0 HA SER A 30 -6.871 -7.979 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.013 -10.376 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.840 -9.451 6.754 1.00 0.00 H new ATOM 0 HG SER A 30 -5.430 -11.291 6.808 1.00 0.00 H new ATOM 171 N LEU A 31 -4.253 -9.784 9.636 1.00 0.00 N ATOM 172 CA LEU A 31 -3.478 -10.258 10.775 1.00 0.00 C ATOM 173 C LEU A 31 -2.017 -10.402 10.373 1.00 0.00 C ATOM 174 O LEU A 31 -1.132 -9.771 10.952 1.00 0.00 O ATOM 175 CB LEU A 31 -4.026 -11.596 11.278 1.00 0.00 C ATOM 176 CG LEU A 31 -4.307 -11.656 12.780 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.761 -11.312 13.065 1.00 0.00 C ATOM 178 CD2 LEU A 31 -3.965 -13.032 13.332 1.00 0.00 C ATOM 0 H LEU A 31 -3.956 -10.169 8.739 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.557 -9.532 11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.949 -11.818 10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.314 -12.381 11.025 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.676 -10.920 13.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.942 -11.360 14.139 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.974 -10.305 12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.410 -12.024 12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.171 -13.056 14.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.570 -13.786 12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.909 -13.240 13.161 1.00 0.00 H new ATOM 190 N LYS A 32 -1.783 -11.222 9.358 1.00 0.00 N ATOM 191 CA LYS A 32 -0.442 -11.445 8.838 1.00 0.00 C ATOM 192 C LYS A 32 -0.363 -11.022 7.371 1.00 0.00 C ATOM 193 O LYS A 32 0.672 -11.178 6.723 1.00 0.00 O ATOM 194 CB LYS A 32 -0.054 -12.919 8.985 1.00 0.00 C ATOM 195 CG LYS A 32 -0.797 -13.849 8.037 1.00 0.00 C ATOM 196 CD LYS A 32 -0.837 -15.273 8.569 1.00 0.00 C ATOM 197 CE LYS A 32 -2.235 -15.660 9.024 1.00 0.00 C ATOM 198 NZ LYS A 32 -3.098 -16.068 7.882 1.00 0.00 N ATOM 0 H LYS A 32 -2.512 -11.748 8.875 1.00 0.00 H new ATOM 0 HA LYS A 32 0.258 -10.840 9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.018 -13.021 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.244 -13.234 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.814 -13.485 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.312 -13.838 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.502 -15.962 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.142 -15.370 9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.170 -16.479 9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.694 -14.818 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.042 -16.324 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.182 -15.278 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.674 -16.887 7.402 1.00 0.00 H new ATOM 212 N HIS A 33 -1.471 -10.492 6.853 1.00 0.00 N ATOM 213 CA HIS A 33 -1.539 -10.053 5.464 1.00 0.00 C ATOM 214 C HIS A 33 -1.413 -8.538 5.352 1.00 0.00 C ATOM 215 O HIS A 33 -1.717 -7.802 6.291 1.00 0.00 O ATOM 216 CB HIS A 33 -2.855 -10.507 4.829 1.00 0.00 C ATOM 217 CG HIS A 33 -2.866 -11.956 4.456 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.728 -12.490 3.521 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.110 -12.987 4.899 1.00 0.00 C ATOM 220 CE1 HIS A 33 -3.502 -13.786 3.406 1.00 0.00 C ATOM 221 NE2 HIS A 33 -2.524 -14.113 4.231 1.00 0.00 N ATOM 0 H HIS A 33 -2.335 -10.357 7.378 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.702 -10.507 4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.672 -10.312 5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.045 -9.909 3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.326 -12.934 5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.028 -14.463 2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.139 -15.050 4.352 1.00 0.00 H new ATOM 230 N ILE A 34 -0.964 -8.087 4.188 1.00 0.00 N ATOM 231 CA ILE A 34 -0.791 -6.675 3.914 1.00 0.00 C ATOM 232 C ILE A 34 -1.177 -6.384 2.466 1.00 0.00 C ATOM 233 O ILE A 34 -0.598 -6.950 1.540 1.00 0.00 O ATOM 234 CB ILE A 34 0.671 -6.253 4.151 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.871 -4.787 3.781 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.609 -7.142 3.351 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.183 -3.841 4.730 1.00 0.00 C ATOM 0 H ILE A 34 -0.710 -8.695 3.409 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.433 -6.108 4.588 1.00 0.00 H new ATOM 0 HB ILE A 34 0.902 -6.370 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.938 -4.564 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.495 -4.618 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.640 -6.834 3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.482 -8.179 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.379 -7.051 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.363 -2.814 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.889 -4.039 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.577 -3.985 5.736 1.00 0.00 H new ATOM 249 N TYR A 35 -2.172 -5.525 2.270 1.00 0.00 N ATOM 250 CA TYR A 35 -2.635 -5.206 0.922 1.00 0.00 C ATOM 251 C TYR A 35 -2.891 -3.712 0.737 1.00 0.00 C ATOM 252 O TYR A 35 -3.839 -3.174 1.301 1.00 0.00 O ATOM 253 CB TYR A 35 -3.939 -5.956 0.633 1.00 0.00 C ATOM 254 CG TYR A 35 -3.775 -7.442 0.401 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.318 -8.280 1.411 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.089 -8.008 -0.828 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.177 -9.638 1.202 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.953 -9.366 -1.044 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.496 -10.176 -0.027 1.00 0.00 C ATOM 260 OH TYR A 35 -3.362 -11.529 -0.237 1.00 0.00 O ATOM 0 H TYR A 35 -2.669 -5.041 3.018 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.847 -5.510 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.622 -5.806 1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.409 -5.514 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.069 -7.862 2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.445 -7.376 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.819 -10.275 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.204 -9.790 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.629 -11.746 -1.155 1.00 0.00 H new ATOM 270 N ALA A 36 -2.089 -3.049 -0.094 1.00 0.00 N ATOM 271 CA ALA A 36 -2.307 -1.635 -0.362 1.00 0.00 C ATOM 272 C ALA A 36 -3.162 -1.488 -1.606 1.00 0.00 C ATOM 273 O ALA A 36 -2.800 -1.957 -2.685 1.00 0.00 O ATOM 274 CB ALA A 36 -1.002 -0.868 -0.532 1.00 0.00 C ATOM 0 H ALA A 36 -1.296 -3.462 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.818 -1.207 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.220 0.181 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.410 -0.950 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.441 -1.286 -1.368 1.00 0.00 H new ATOM 280 N GLN A 37 -4.299 -0.844 -1.443 1.00 0.00 N ATOM 281 CA GLN A 37 -5.225 -0.636 -2.543 1.00 0.00 C ATOM 282 C GLN A 37 -5.234 0.820 -2.968 1.00 0.00 C ATOM 283 O GLN A 37 -5.673 1.697 -2.224 1.00 0.00 O ATOM 284 CB GLN A 37 -6.636 -1.078 -2.147 1.00 0.00 C ATOM 285 CG GLN A 37 -7.285 -2.014 -3.154 1.00 0.00 C ATOM 286 CD GLN A 37 -7.446 -3.424 -2.620 1.00 0.00 C ATOM 287 OE1 GLN A 37 -7.586 -3.632 -1.415 1.00 0.00 O ATOM 288 NE2 GLN A 37 -7.427 -4.403 -3.518 1.00 0.00 N ATOM 0 H GLN A 37 -4.608 -0.452 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.892 -1.241 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.594 -1.574 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.264 -0.195 -2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.263 -1.621 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.682 -2.040 -4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.309 -4.185 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.531 -5.372 -3.218 1.00 0.00 H new ATOM 297 N ILE A 38 -4.755 1.068 -4.174 1.00 0.00 N ATOM 298 CA ILE A 38 -4.714 2.414 -4.713 1.00 0.00 C ATOM 299 C ILE A 38 -5.932 2.638 -5.597 1.00 0.00 C ATOM 300 O ILE A 38 -5.979 2.183 -6.744 1.00 0.00 O ATOM 301 CB ILE A 38 -3.420 2.678 -5.510 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.255 1.809 -4.977 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.082 4.161 -5.458 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.373 2.470 -3.938 1.00 0.00 C ATOM 0 H ILE A 38 -4.388 0.351 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.726 3.115 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.578 2.397 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.671 0.897 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.632 1.510 -5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.167 4.346 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.899 4.736 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.937 4.465 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.589 1.777 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.920 3.366 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.974 2.744 -3.071 1.00 0.00 H new ATOM 316 N ILE A 39 -6.933 3.301 -5.026 1.00 0.00 N ATOM 317 CA ILE A 39 -8.196 3.556 -5.714 1.00 0.00 C ATOM 318 C ILE A 39 -8.275 4.955 -6.316 1.00 0.00 C ATOM 319 O ILE A 39 -7.529 5.856 -5.937 1.00 0.00 O ATOM 320 CB ILE A 39 -9.381 3.396 -4.740 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.214 2.134 -3.894 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.701 3.371 -5.493 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.616 2.406 -2.532 1.00 0.00 C ATOM 0 H ILE A 39 -6.893 3.675 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.247 2.826 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.392 4.257 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.186 1.657 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.579 1.427 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.522 3.257 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.823 4.304 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.706 2.534 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.524 1.470 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.630 2.856 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.262 3.089 -1.981 1.00 0.00 H new ATOM 335 N ASP A 40 -9.223 5.123 -7.234 1.00 0.00 N ATOM 336 CA ASP A 40 -9.467 6.402 -7.877 1.00 0.00 C ATOM 337 C ASP A 40 -10.551 7.136 -7.102 1.00 0.00 C ATOM 338 O ASP A 40 -11.696 6.665 -7.025 1.00 0.00 O ATOM 339 CB ASP A 40 -9.902 6.209 -9.333 1.00 0.00 C ATOM 340 CG ASP A 40 -9.009 6.950 -10.309 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.499 8.030 -9.944 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.821 6.451 -11.438 1.00 0.00 O ATOM 0 H ASP A 40 -9.840 4.375 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.546 6.985 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.894 5.146 -9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.929 6.555 -9.451 1.00 0.00 H new ATOM 347 N ASP A 41 -10.160 8.267 -6.514 1.00 0.00 N ATOM 348 CA ASP A 41 -11.049 9.097 -5.697 1.00 0.00 C ATOM 349 C ASP A 41 -11.767 10.165 -6.521 1.00 0.00 C ATOM 350 O ASP A 41 -12.254 11.158 -5.981 1.00 0.00 O ATOM 351 CB ASP A 41 -10.256 9.763 -4.571 1.00 0.00 C ATOM 352 CG ASP A 41 -11.124 10.106 -3.377 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.332 10.357 -3.574 1.00 0.00 O ATOM 354 OD2 ASP A 41 -10.597 10.124 -2.245 1.00 0.00 O ATOM 0 H ASP A 41 -9.212 8.636 -6.591 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.810 8.438 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.453 9.098 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.787 10.672 -4.949 1.00 0.00 H new ATOM 359 N GLU A 42 -11.879 9.922 -7.815 1.00 0.00 N ATOM 360 CA GLU A 42 -12.597 10.819 -8.718 1.00 0.00 C ATOM 361 C GLU A 42 -13.843 10.070 -9.121 1.00 0.00 C ATOM 362 O GLU A 42 -14.969 10.558 -9.030 1.00 0.00 O ATOM 363 CB GLU A 42 -11.749 11.177 -9.943 1.00 0.00 C ATOM 364 CG GLU A 42 -10.999 9.996 -10.538 1.00 0.00 C ATOM 365 CD GLU A 42 -10.026 10.411 -11.623 1.00 0.00 C ATOM 366 OE1 GLU A 42 -9.107 11.203 -11.326 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.181 9.943 -12.771 1.00 0.00 O ATOM 0 H GLU A 42 -11.479 9.103 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.833 11.766 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.396 11.607 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.031 11.948 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.456 9.479 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.716 9.285 -10.950 1.00 0.00 H new ATOM 374 N LYS A 43 -13.591 8.822 -9.466 1.00 0.00 N ATOM 375 CA LYS A 43 -14.604 7.860 -9.787 1.00 0.00 C ATOM 376 C LYS A 43 -14.201 6.614 -9.028 1.00 0.00 C ATOM 377 O LYS A 43 -13.111 6.093 -9.254 1.00 0.00 O ATOM 378 CB LYS A 43 -14.640 7.582 -11.290 1.00 0.00 C ATOM 379 CG LYS A 43 -15.004 8.797 -12.123 1.00 0.00 C ATOM 380 CD LYS A 43 -16.455 9.205 -11.918 1.00 0.00 C ATOM 381 CE LYS A 43 -17.306 8.868 -13.131 1.00 0.00 C ATOM 382 NZ LYS A 43 -18.633 9.543 -13.084 1.00 0.00 N ATOM 0 H LYS A 43 -12.644 8.448 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.600 8.210 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.664 7.214 -11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.360 6.788 -11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.351 9.629 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.832 8.580 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.855 8.699 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.508 10.276 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.779 9.166 -14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.449 7.789 -13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.183 9.287 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.147 9.240 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.497 10.574 -13.058 1.00 0.00 H new ATOM 396 N GLY A 44 -15.039 6.157 -8.109 1.00 0.00 N ATOM 397 CA GLY A 44 -14.682 4.990 -7.323 1.00 0.00 C ATOM 398 C GLY A 44 -14.127 3.880 -8.187 1.00 0.00 C ATOM 399 O GLY A 44 -14.875 3.036 -8.679 1.00 0.00 O ATOM 0 H GLY A 44 -15.948 6.566 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.944 5.270 -6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.560 4.629 -6.788 1.00 0.00 H new ATOM 403 N VAL A 45 -12.815 3.907 -8.414 1.00 0.00 N ATOM 404 CA VAL A 45 -12.194 2.907 -9.280 1.00 0.00 C ATOM 405 C VAL A 45 -10.873 2.373 -8.732 1.00 0.00 C ATOM 406 O VAL A 45 -9.876 3.084 -8.702 1.00 0.00 O ATOM 407 CB VAL A 45 -11.933 3.513 -10.674 1.00 0.00 C ATOM 408 CG1 VAL A 45 -11.311 2.484 -11.609 1.00 0.00 C ATOM 409 CG2 VAL A 45 -13.220 4.074 -11.265 1.00 0.00 C ATOM 0 H VAL A 45 -12.173 4.595 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.893 2.073 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.224 4.333 -10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.137 2.937 -12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.363 2.141 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.987 1.636 -11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.015 4.497 -12.248 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.955 3.275 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.612 4.852 -10.610 1.00 0.00 H new ATOM 419 N THR A 46 -10.856 1.099 -8.347 1.00 0.00 N ATOM 420 CA THR A 46 -9.631 0.480 -7.849 1.00 0.00 C ATOM 421 C THR A 46 -8.658 0.277 -9.004 1.00 0.00 C ATOM 422 O THR A 46 -8.959 -0.440 -9.959 1.00 0.00 O ATOM 423 CB THR A 46 -9.935 -0.860 -7.171 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.152 -0.791 -6.451 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.854 -1.303 -6.206 1.00 0.00 C ATOM 0 H THR A 46 -11.667 0.481 -8.370 1.00 0.00 H new ATOM 0 HA THR A 46 -9.180 1.140 -7.107 1.00 0.00 H new ATOM 0 HB THR A 46 -9.995 -1.587 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.330 -1.656 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.133 -2.258 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.911 -1.413 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.740 -0.557 -5.420 1.00 0.00 H new ATOM 433 N LEU A 47 -7.503 0.928 -8.930 1.00 0.00 N ATOM 434 CA LEU A 47 -6.510 0.830 -9.993 1.00 0.00 C ATOM 435 C LEU A 47 -5.459 -0.232 -9.700 1.00 0.00 C ATOM 436 O LEU A 47 -5.326 -1.204 -10.444 1.00 0.00 O ATOM 437 CB LEU A 47 -5.828 2.178 -10.216 1.00 0.00 C ATOM 438 CG LEU A 47 -6.763 3.379 -10.216 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.961 3.913 -8.806 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.226 4.463 -11.135 1.00 0.00 C ATOM 0 H LEU A 47 -7.232 1.526 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.042 0.535 -10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.077 2.321 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.300 2.148 -11.169 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.735 3.059 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.633 4.771 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.393 3.133 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.999 4.218 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.904 5.316 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.241 4.778 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.147 4.073 -12.150 1.00 0.00 H new ATOM 452 N VAL A 48 -4.694 -0.036 -8.631 1.00 0.00 N ATOM 453 CA VAL A 48 -3.642 -0.976 -8.279 1.00 0.00 C ATOM 454 C VAL A 48 -3.846 -1.558 -6.883 1.00 0.00 C ATOM 455 O VAL A 48 -4.359 -0.892 -5.984 1.00 0.00 O ATOM 456 CB VAL A 48 -2.256 -0.297 -8.374 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.267 -0.905 -7.392 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.722 -0.382 -9.796 1.00 0.00 C ATOM 0 H VAL A 48 -4.783 0.760 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.688 -1.798 -8.993 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.379 0.753 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.304 -0.403 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.641 -0.782 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.146 -1.966 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.746 0.100 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.626 -1.428 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.411 0.121 -10.474 1.00 0.00 H new ATOM 468 N SER A 49 -3.422 -2.806 -6.716 1.00 0.00 N ATOM 469 CA SER A 49 -3.531 -3.497 -5.439 1.00 0.00 C ATOM 470 C SER A 49 -2.400 -4.510 -5.294 1.00 0.00 C ATOM 471 O SER A 49 -2.318 -5.476 -6.052 1.00 0.00 O ATOM 472 CB SER A 49 -4.886 -4.194 -5.325 1.00 0.00 C ATOM 473 OG SER A 49 -5.085 -5.104 -6.392 1.00 0.00 O ATOM 0 H SER A 49 -2.996 -3.363 -7.457 1.00 0.00 H new ATOM 0 HA SER A 49 -3.451 -2.764 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.946 -4.725 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.682 -3.449 -5.325 1.00 0.00 H new ATOM 0 HG SER A 49 -4.234 -5.535 -6.618 1.00 0.00 H new ATOM 479 N ALA A 50 -1.522 -4.274 -4.326 1.00 0.00 N ATOM 480 CA ALA A 50 -0.385 -5.160 -4.094 1.00 0.00 C ATOM 481 C ALA A 50 -0.353 -5.672 -2.659 1.00 0.00 C ATOM 482 O ALA A 50 -0.933 -5.064 -1.758 1.00 0.00 O ATOM 483 CB ALA A 50 0.915 -4.441 -4.424 1.00 0.00 C ATOM 0 H ALA A 50 -1.574 -3.479 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.497 -6.023 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.756 -5.111 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.907 -4.137 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.014 -3.559 -3.791 1.00 0.00 H new ATOM 489 N SER A 51 0.334 -6.792 -2.454 1.00 0.00 N ATOM 490 CA SER A 51 0.451 -7.387 -1.128 1.00 0.00 C ATOM 491 C SER A 51 1.771 -8.142 -0.982 1.00 0.00 C ATOM 492 O SER A 51 2.252 -8.765 -1.928 1.00 0.00 O ATOM 493 CB SER A 51 -0.728 -8.321 -0.859 1.00 0.00 C ATOM 494 OG SER A 51 -0.782 -9.366 -1.814 1.00 0.00 O ATOM 0 H SER A 51 0.818 -7.306 -3.190 1.00 0.00 H new ATOM 0 HA SER A 51 0.437 -6.583 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.640 -8.744 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.658 -7.753 -0.884 1.00 0.00 H new ATOM 0 HG SER A 51 -1.681 -9.756 -1.822 1.00 0.00 H new ATOM 500 N SER A 52 2.353 -8.065 0.210 1.00 0.00 N ATOM 501 CA SER A 52 3.629 -8.724 0.495 1.00 0.00 C ATOM 502 C SER A 52 3.582 -10.222 0.196 1.00 0.00 C ATOM 503 O SER A 52 4.506 -10.769 -0.405 1.00 0.00 O ATOM 504 CB SER A 52 4.025 -8.496 1.954 1.00 0.00 C ATOM 505 OG SER A 52 3.383 -9.423 2.812 1.00 0.00 O ATOM 0 H SER A 52 1.962 -7.551 1.000 1.00 0.00 H new ATOM 0 HA SER A 52 4.378 -8.281 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.106 -8.589 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.762 -7.480 2.250 1.00 0.00 H new ATOM 0 HG SER A 52 3.656 -9.255 3.738 1.00 0.00 H new ATOM 679 N GLU A 63 8.936 -6.727 7.158 1.00 0.00 N ATOM 680 CA GLU A 63 10.165 -7.051 6.447 1.00 0.00 C ATOM 681 C GLU A 63 10.086 -6.615 4.987 1.00 0.00 C ATOM 682 O GLU A 63 10.918 -5.842 4.513 1.00 0.00 O ATOM 683 CB GLU A 63 10.442 -8.553 6.528 1.00 0.00 C ATOM 684 CG GLU A 63 11.923 -8.899 6.548 1.00 0.00 C ATOM 685 CD GLU A 63 12.287 -9.841 7.679 1.00 0.00 C ATOM 686 OE1 GLU A 63 11.943 -11.039 7.588 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.915 -9.382 8.656 1.00 0.00 O ATOM 0 HA GLU A 63 10.982 -6.509 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.972 -8.953 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.974 -9.047 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.198 -9.355 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.505 -7.982 6.642 1.00 0.00 H new ATOM 694 N VAL A 64 9.085 -7.126 4.279 1.00 0.00 N ATOM 695 CA VAL A 64 8.900 -6.802 2.870 1.00 0.00 C ATOM 696 C VAL A 64 7.932 -5.639 2.673 1.00 0.00 C ATOM 697 O VAL A 64 7.885 -5.055 1.597 1.00 0.00 O ATOM 698 CB VAL A 64 8.376 -8.020 2.080 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.199 -7.685 0.603 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.310 -9.208 2.254 1.00 0.00 C ATOM 0 H VAL A 64 8.388 -7.767 4.659 1.00 0.00 H new ATOM 0 HA VAL A 64 9.881 -6.513 2.493 1.00 0.00 H new ATOM 0 HB VAL A 64 7.398 -8.286 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.829 -8.562 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.484 -6.869 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.158 -7.384 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.926 -10.058 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.302 -8.947 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.372 -9.471 3.310 1.00 0.00 H new ATOM 710 N ALA A 65 7.150 -5.311 3.705 1.00 0.00 N ATOM 711 CA ALA A 65 6.174 -4.222 3.614 1.00 0.00 C ATOM 712 C ALA A 65 6.655 -3.102 2.694 1.00 0.00 C ATOM 713 O ALA A 65 5.893 -2.576 1.891 1.00 0.00 O ATOM 714 CB ALA A 65 5.853 -3.674 4.989 1.00 0.00 C ATOM 0 H ALA A 65 7.173 -5.782 4.610 1.00 0.00 H new ATOM 0 HA ALA A 65 5.265 -4.638 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.127 -2.866 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.437 -4.468 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.764 -3.292 5.450 1.00 0.00 H new ATOM 720 N ARG A 66 7.930 -2.761 2.791 1.00 0.00 N ATOM 721 CA ARG A 66 8.496 -1.729 1.933 1.00 0.00 C ATOM 722 C ARG A 66 8.499 -2.220 0.512 1.00 0.00 C ATOM 723 O ARG A 66 7.874 -1.640 -0.373 1.00 0.00 O ATOM 724 CB ARG A 66 9.912 -1.397 2.357 1.00 0.00 C ATOM 725 CG ARG A 66 10.113 0.078 2.568 1.00 0.00 C ATOM 726 CD ARG A 66 11.270 0.600 1.754 1.00 0.00 C ATOM 727 NE ARG A 66 12.511 -0.118 2.038 1.00 0.00 N ATOM 728 CZ ARG A 66 13.727 0.392 1.849 1.00 0.00 C ATOM 729 NH1 ARG A 66 13.875 1.618 1.364 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.799 -0.330 2.143 1.00 0.00 N ATOM 0 H ARG A 66 8.589 -3.178 3.449 1.00 0.00 H new ATOM 0 HA ARG A 66 7.890 -0.827 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.147 -1.929 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.609 -1.752 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.204 0.613 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.293 0.274 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.035 0.512 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.410 1.661 1.962 1.00 0.00 H new ATOM 0 HE ARG A 66 12.442 -1.068 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.054 2.178 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.810 2.001 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.692 -1.274 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.731 0.059 1.999 1.00 0.00 H new ATOM 744 N GLN A 67 9.187 -3.326 0.317 1.00 0.00 N ATOM 745 CA GLN A 67 9.255 -3.962 -0.985 1.00 0.00 C ATOM 746 C GLN A 67 7.844 -4.116 -1.550 1.00 0.00 C ATOM 747 O GLN A 67 7.654 -4.192 -2.764 1.00 0.00 O ATOM 748 CB GLN A 67 9.937 -5.326 -0.879 1.00 0.00 C ATOM 749 CG GLN A 67 11.444 -5.268 -1.070 1.00 0.00 C ATOM 750 CD GLN A 67 12.201 -5.988 0.029 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.698 -7.097 -0.167 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.290 -5.359 1.195 1.00 0.00 N ATOM 0 H GLN A 67 9.711 -3.807 1.048 1.00 0.00 H new ATOM 0 HA GLN A 67 9.845 -3.338 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.719 -5.757 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.510 -5.996 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.701 -5.710 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.762 -4.226 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.863 -4.440 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.786 -5.794 1.973 1.00 0.00 H new ATOM 761 N VAL A 68 6.845 -4.128 -0.659 1.00 0.00 N ATOM 762 CA VAL A 68 5.464 -4.231 -1.102 1.00 0.00 C ATOM 763 C VAL A 68 4.973 -2.860 -1.534 1.00 0.00 C ATOM 764 O VAL A 68 4.182 -2.733 -2.468 1.00 0.00 O ATOM 765 CB VAL A 68 4.510 -4.839 -0.035 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.880 -3.787 0.878 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.420 -5.628 -0.733 1.00 0.00 C ATOM 0 H VAL A 68 6.970 -4.069 0.352 1.00 0.00 H new ATOM 0 HA VAL A 68 5.448 -4.924 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 68 5.111 -5.487 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.226 -4.276 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.665 -3.248 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.299 -3.086 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.748 -6.057 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.857 -4.967 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.870 -6.429 -1.320 1.00 0.00 H new ATOM 777 N GLY A 69 5.474 -1.830 -0.855 1.00 0.00 N ATOM 778 CA GLY A 69 5.100 -0.481 -1.194 1.00 0.00 C ATOM 779 C GLY A 69 5.805 -0.027 -2.449 1.00 0.00 C ATOM 780 O GLY A 69 5.287 0.799 -3.179 1.00 0.00 O ATOM 0 H GLY A 69 6.131 -1.913 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.021 -0.423 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.349 0.188 -0.370 1.00 0.00 H new ATOM 784 N ARG A 70 6.998 -0.572 -2.698 1.00 0.00 N ATOM 785 CA ARG A 70 7.760 -0.212 -3.889 1.00 0.00 C ATOM 786 C ARG A 70 7.165 -0.910 -5.096 1.00 0.00 C ATOM 787 O ARG A 70 7.073 -0.328 -6.170 1.00 0.00 O ATOM 788 CB ARG A 70 9.246 -0.556 -3.727 1.00 0.00 C ATOM 789 CG ARG A 70 9.557 -2.039 -3.826 1.00 0.00 C ATOM 790 CD ARG A 70 9.942 -2.436 -5.241 1.00 0.00 C ATOM 791 NE ARG A 70 10.577 -3.751 -5.285 1.00 0.00 N ATOM 792 CZ ARG A 70 11.354 -4.168 -6.283 1.00 0.00 C ATOM 793 NH1 ARG A 70 11.590 -3.379 -7.325 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.895 -5.377 -6.240 1.00 0.00 N ATOM 0 H ARG A 70 7.452 -1.258 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 70 7.697 0.866 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.815 -0.025 -4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.589 -0.188 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.370 -2.287 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.688 -2.616 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.053 -2.441 -5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.621 -1.691 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 70 10.416 -4.388 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.175 -2.448 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.186 -3.704 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.716 -5.988 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.490 -5.697 -7.004 1.00 0.00 H new ATOM 808 N ALA A 71 6.715 -2.144 -4.903 1.00 0.00 N ATOM 809 CA ALA A 71 6.076 -2.878 -5.981 1.00 0.00 C ATOM 810 C ALA A 71 4.719 -2.251 -6.259 1.00 0.00 C ATOM 811 O ALA A 71 4.285 -2.147 -7.405 1.00 0.00 O ATOM 812 CB ALA A 71 5.920 -4.341 -5.619 1.00 0.00 C ATOM 0 H ALA A 71 6.781 -2.650 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 71 6.698 -2.825 -6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.439 -4.870 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.902 -4.776 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.307 -4.431 -4.722 1.00 0.00 H new ATOM 818 N LEU A 72 4.076 -1.799 -5.184 1.00 0.00 N ATOM 819 CA LEU A 72 2.787 -1.136 -5.273 1.00 0.00 C ATOM 820 C LEU A 72 2.980 0.213 -5.926 1.00 0.00 C ATOM 821 O LEU A 72 2.358 0.539 -6.931 1.00 0.00 O ATOM 822 CB LEU A 72 2.207 -0.943 -3.876 1.00 0.00 C ATOM 823 CG LEU A 72 0.892 -0.164 -3.819 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.275 -1.101 -3.545 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.970 0.925 -2.759 1.00 0.00 C ATOM 0 H LEU A 72 4.436 -1.884 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 72 2.101 -1.744 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.050 -1.924 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.944 -0.426 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 72 0.726 0.308 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.201 -0.528 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.340 -1.844 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.121 -1.604 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.028 1.472 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.158 0.472 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.780 1.612 -3.002 1.00 0.00 H new ATOM 837 N ALA A 73 3.880 0.982 -5.343 1.00 0.00 N ATOM 838 CA ALA A 73 4.210 2.299 -5.861 1.00 0.00 C ATOM 839 C ALA A 73 4.731 2.180 -7.272 1.00 0.00 C ATOM 840 O ALA A 73 4.600 3.101 -8.069 1.00 0.00 O ATOM 841 CB ALA A 73 5.225 3.010 -4.974 1.00 0.00 C ATOM 0 H ALA A 73 4.399 0.717 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 73 3.301 2.900 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.448 3.992 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.813 3.127 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.140 2.420 -4.924 1.00 0.00 H new ATOM 847 N GLU A 74 5.285 1.021 -7.585 1.00 0.00 N ATOM 848 CA GLU A 74 5.783 0.767 -8.915 1.00 0.00 C ATOM 849 C GLU A 74 4.592 0.451 -9.815 1.00 0.00 C ATOM 850 O GLU A 74 4.579 0.779 -11.001 1.00 0.00 O ATOM 851 CB GLU A 74 6.792 -0.377 -8.884 1.00 0.00 C ATOM 852 CG GLU A 74 8.204 0.067 -8.531 1.00 0.00 C ATOM 853 CD GLU A 74 9.076 -1.077 -8.051 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.604 -2.234 -8.070 1.00 0.00 O ATOM 855 OE2 GLU A 74 10.231 -0.817 -7.654 1.00 0.00 O ATOM 0 H GLU A 74 5.399 0.245 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 74 6.302 1.640 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.462 -1.122 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.806 -0.865 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.665 0.527 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.157 0.832 -7.756 1.00 0.00 H new ATOM 862 N LYS A 75 3.569 -0.149 -9.204 1.00 0.00 N ATOM 863 CA LYS A 75 2.329 -0.478 -9.884 1.00 0.00 C ATOM 864 C LYS A 75 1.552 0.793 -10.162 1.00 0.00 C ATOM 865 O LYS A 75 1.414 1.227 -11.305 1.00 0.00 O ATOM 866 CB LYS A 75 1.489 -1.387 -8.991 1.00 0.00 C ATOM 867 CG LYS A 75 1.827 -2.836 -9.157 1.00 0.00 C ATOM 868 CD LYS A 75 0.638 -3.731 -8.849 1.00 0.00 C ATOM 869 CE LYS A 75 0.859 -5.145 -9.358 1.00 0.00 C ATOM 870 NZ LYS A 75 0.143 -6.153 -8.529 1.00 0.00 N ATOM 0 H LYS A 75 3.584 -0.419 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 75 2.555 -0.985 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.635 -1.101 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.433 -1.237 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.163 -3.016 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.656 -3.094 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.467 -3.753 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.260 -3.315 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.518 -5.216 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.926 -5.368 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.320 -7.104 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.486 -6.103 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.878 -5.957 -8.549 1.00 0.00 H new ATOM 884 N ALA A 76 1.062 1.385 -9.082 1.00 0.00 N ATOM 885 CA ALA A 76 0.300 2.633 -9.150 1.00 0.00 C ATOM 886 C ALA A 76 0.987 3.615 -10.085 1.00 0.00 C ATOM 887 O ALA A 76 0.349 4.271 -10.912 1.00 0.00 O ATOM 888 CB ALA A 76 0.159 3.256 -7.768 1.00 0.00 C ATOM 0 H ALA A 76 1.178 1.020 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.694 2.404 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.411 4.182 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.361 2.562 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.148 3.470 -7.363 1.00 0.00 H new ATOM 894 N LEU A 77 2.302 3.695 -9.951 1.00 0.00 N ATOM 895 CA LEU A 77 3.100 4.570 -10.786 1.00 0.00 C ATOM 896 C LEU A 77 2.879 4.269 -12.260 1.00 0.00 C ATOM 897 O LEU A 77 2.804 5.175 -13.090 1.00 0.00 O ATOM 898 CB LEU A 77 4.577 4.412 -10.448 1.00 0.00 C ATOM 899 CG LEU A 77 5.129 5.383 -9.407 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.595 5.078 -9.135 1.00 0.00 C ATOM 901 CD2 LEU A 77 4.957 6.820 -9.877 1.00 0.00 C ATOM 0 H LEU A 77 2.838 3.160 -9.268 1.00 0.00 H new ATOM 0 HA LEU A 77 2.790 5.597 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.742 3.395 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.154 4.526 -11.366 1.00 0.00 H new ATOM 0 HG LEU A 77 4.571 5.260 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.980 5.776 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.691 4.059 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.165 5.181 -10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.356 7.499 -9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.494 6.963 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.898 7.029 -10.030 1.00 0.00 H new ATOM 913 N ALA A 78 2.773 2.985 -12.575 1.00 0.00 N ATOM 914 CA ALA A 78 2.556 2.544 -13.944 1.00 0.00 C ATOM 915 C ALA A 78 1.342 3.240 -14.555 1.00 0.00 C ATOM 916 O ALA A 78 1.247 3.390 -15.773 1.00 0.00 O ATOM 917 CB ALA A 78 2.399 1.038 -13.973 1.00 0.00 C ATOM 0 H ALA A 78 2.834 2.227 -11.895 1.00 0.00 H new ATOM 0 HA ALA A 78 3.422 2.816 -14.547 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.236 0.709 -14.999 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.302 0.570 -13.581 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.545 0.749 -13.360 1.00 0.00 H new ATOM 923 N LEU A 79 0.435 3.697 -13.694 1.00 0.00 N ATOM 924 CA LEU A 79 -0.748 4.417 -14.136 1.00 0.00 C ATOM 925 C LEU A 79 -0.426 5.903 -14.197 1.00 0.00 C ATOM 926 O LEU A 79 -1.027 6.660 -14.959 1.00 0.00 O ATOM 927 CB LEU A 79 -1.928 4.213 -13.170 1.00 0.00 C ATOM 928 CG LEU A 79 -1.846 3.023 -12.209 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.413 3.417 -10.853 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.598 1.828 -12.776 1.00 0.00 C ATOM 0 H LEU A 79 0.501 3.579 -12.683 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.032 4.034 -15.116 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.040 5.120 -12.576 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.836 4.107 -13.763 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.801 2.739 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.353 2.568 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.838 4.249 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.455 3.717 -10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.529 0.992 -12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.645 2.093 -12.923 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.159 1.542 -13.732 1.00 0.00 H new ATOM 942 N GLY A 80 0.523 6.301 -13.358 1.00 0.00 N ATOM 943 CA GLY A 80 0.930 7.683 -13.274 1.00 0.00 C ATOM 944 C GLY A 80 0.453 8.313 -11.984 1.00 0.00 C ATOM 945 O GLY A 80 0.350 9.535 -11.878 1.00 0.00 O ATOM 0 H GLY A 80 1.023 5.676 -12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.016 7.750 -13.335 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.528 8.236 -14.123 1.00 0.00 H new ATOM 949 N ILE A 81 0.154 7.466 -10.998 1.00 0.00 N ATOM 950 CA ILE A 81 -0.321 7.935 -9.708 1.00 0.00 C ATOM 951 C ILE A 81 0.834 8.450 -8.873 1.00 0.00 C ATOM 952 O ILE A 81 1.650 7.684 -8.361 1.00 0.00 O ATOM 953 CB ILE A 81 -1.101 6.823 -8.959 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.494 6.617 -9.586 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.239 7.152 -7.475 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.646 7.171 -10.991 1.00 0.00 C ATOM 0 H ILE A 81 0.234 6.452 -11.074 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.012 8.760 -9.880 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.532 5.898 -9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.714 5.550 -9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.240 7.085 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.790 6.355 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.249 7.243 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.777 8.093 -7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.657 6.980 -11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.462 8.245 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.928 6.686 -11.653 1.00 0.00 H new ATOM 968 N LYS A 82 0.898 9.768 -8.767 1.00 0.00 N ATOM 969 CA LYS A 82 1.939 10.431 -8.034 1.00 0.00 C ATOM 970 C LYS A 82 1.530 10.686 -6.592 1.00 0.00 C ATOM 971 O LYS A 82 2.181 10.220 -5.661 1.00 0.00 O ATOM 972 CB LYS A 82 2.254 11.746 -8.722 1.00 0.00 C ATOM 973 CG LYS A 82 3.552 12.322 -8.261 1.00 0.00 C ATOM 974 CD LYS A 82 4.207 13.182 -9.330 1.00 0.00 C ATOM 975 CE LYS A 82 4.890 12.333 -10.389 1.00 0.00 C ATOM 976 NZ LYS A 82 6.169 12.940 -10.850 1.00 0.00 N ATOM 0 H LYS A 82 0.221 10.401 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 82 2.820 9.790 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.289 11.592 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.452 12.458 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.385 12.921 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.228 11.514 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.455 13.815 -9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.938 13.845 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.085 11.339 -9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.221 12.207 -11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.603 12.330 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.981 13.878 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.818 13.037 -10.043 1.00 0.00 H new ATOM 990 N GLN A 83 0.450 11.433 -6.418 1.00 0.00 N ATOM 991 CA GLN A 83 -0.048 11.756 -5.089 1.00 0.00 C ATOM 992 C GLN A 83 -1.342 11.007 -4.811 1.00 0.00 C ATOM 993 O GLN A 83 -2.201 10.891 -5.684 1.00 0.00 O ATOM 994 CB GLN A 83 -0.269 13.263 -4.957 1.00 0.00 C ATOM 995 CG GLN A 83 0.790 13.952 -4.116 1.00 0.00 C ATOM 996 CD GLN A 83 1.668 14.884 -4.929 1.00 0.00 C ATOM 997 OE1 GLN A 83 2.979 14.686 -4.842 1.00 0.00 O flip ATOM 998 NE2 GLN A 83 1.175 15.771 -5.626 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.099 11.827 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 83 0.696 11.447 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.282 13.710 -5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.249 13.442 -4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.305 14.518 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.414 13.198 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.162 15.887 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.779 16.390 -6.167 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.476 10.492 -3.594 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.673 9.748 -3.224 1.00 0.00 C ATOM 1009 C VAL A 84 -3.313 10.296 -1.955 1.00 0.00 C ATOM 1010 O VAL A 84 -2.695 11.046 -1.199 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.388 8.242 -3.013 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.499 7.402 -3.614 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -1.049 7.835 -3.602 1.00 0.00 C ATOM 0 H VAL A 84 -0.779 10.575 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.359 9.869 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.347 8.065 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.282 6.345 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.445 7.654 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.569 7.602 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.886 6.771 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.046 8.037 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.253 8.405 -3.123 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.555 9.890 -1.728 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.306 10.300 -0.551 1.00 0.00 C ATOM 1025 C ALA A 85 -5.418 9.134 0.421 1.00 0.00 C ATOM 1026 O ALA A 85 -6.199 8.209 0.204 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.690 10.792 -0.952 1.00 0.00 C ATOM 0 H ALA A 85 -5.068 9.269 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.779 11.119 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.240 11.095 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.592 11.643 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.229 9.990 -1.456 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.622 9.168 1.482 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.630 8.092 2.464 1.00 0.00 C ATOM 1035 C PHE A 86 -5.776 8.246 3.456 1.00 0.00 C ATOM 1036 O PHE A 86 -5.830 9.209 4.222 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.296 8.034 3.207 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.756 6.640 3.344 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.143 6.010 2.272 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.868 5.956 4.544 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.652 4.724 2.397 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.378 4.671 4.674 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.770 4.054 3.599 1.00 0.00 C ATOM 0 H PHE A 86 -3.967 9.923 1.684 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.777 7.157 1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.567 8.649 2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.421 8.468 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.048 6.529 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.344 6.433 5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.176 4.243 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.470 4.150 5.615 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.387 3.049 3.698 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.683 7.277 3.436 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.832 7.274 4.329 1.00 0.00 C ATOM 1055 C ASP A 87 -8.182 5.842 4.723 1.00 0.00 C ATOM 1056 O ASP A 87 -9.342 5.432 4.665 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.030 7.952 3.660 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.616 9.061 4.511 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -8.833 9.798 5.147 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -10.857 9.194 4.542 1.00 0.00 O ATOM 0 H ASP A 87 -6.643 6.477 2.805 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.579 7.834 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.722 8.360 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.800 7.207 3.458 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.157 5.089 5.117 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.314 3.692 5.523 1.00 0.00 C ATOM 1067 C ARG A 88 -8.609 3.471 6.304 1.00 0.00 C ATOM 1068 O ARG A 88 -9.268 2.442 6.153 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.118 3.263 6.372 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.751 4.274 7.451 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.244 4.413 7.597 1.00 0.00 C ATOM 1072 NE ARG A 88 -3.877 5.157 8.800 1.00 0.00 N ATOM 1073 CZ ARG A 88 -4.045 6.470 8.939 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -4.576 7.187 7.956 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.682 7.069 10.065 1.00 0.00 N ATOM 0 H ARG A 88 -6.196 5.428 5.164 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.363 3.085 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.340 2.305 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.257 3.107 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.184 5.243 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.183 3.964 8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.790 3.423 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.840 4.919 6.720 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.468 4.640 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.858 6.732 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.702 8.193 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.274 6.524 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.811 8.075 10.172 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.967 4.444 7.136 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.182 4.335 7.923 1.00 0.00 C ATOM 1091 C GLY A 89 -9.904 4.100 9.398 1.00 0.00 C ATOM 1092 O GLY A 89 -9.381 4.983 10.078 1.00 0.00 O ATOM 0 H GLY A 89 -8.439 5.305 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.768 5.247 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.789 3.516 7.536 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.248 2.912 9.930 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.032 2.582 11.335 1.00 0.00 C ATOM 1098 C PRO A 90 -8.659 1.967 11.593 1.00 0.00 C ATOM 1099 O PRO A 90 -8.466 1.251 12.576 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.132 1.560 11.597 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.283 0.831 10.302 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.886 1.795 9.207 1.00 0.00 C ATOM 0 HA PRO A 90 -10.063 3.460 11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.859 0.881 12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.063 2.045 11.890 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.651 -0.057 10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.311 0.494 10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.198 1.333 8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.752 2.131 8.637 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.709 2.245 10.706 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.358 1.714 10.843 1.00 0.00 C ATOM 1112 C TYR A 91 -5.457 2.695 11.583 1.00 0.00 C ATOM 1113 O TYR A 91 -5.415 3.882 11.261 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.766 1.411 9.466 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.213 0.091 8.879 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.463 -0.442 9.174 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.382 -0.619 8.026 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.869 -1.647 8.633 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.780 -1.823 7.481 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.023 -2.334 7.787 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.423 -3.534 7.246 1.00 0.00 O ATOM 0 H TYR A 91 -7.850 2.834 9.886 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.417 0.792 11.422 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.040 2.213 8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.679 1.413 9.541 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.127 0.094 9.836 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.407 -0.223 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.843 -2.049 8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.120 -2.362 6.818 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.796 -3.382 6.353 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.729 2.187 12.571 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.819 3.013 13.351 1.00 0.00 C ATOM 1133 C LYS A 92 -2.383 2.807 12.881 1.00 0.00 C ATOM 1134 O LYS A 92 -2.020 1.719 12.434 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.940 2.675 14.840 1.00 0.00 C ATOM 1136 CG LYS A 92 -4.077 3.899 15.732 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.754 4.261 16.390 1.00 0.00 C ATOM 1138 CE LYS A 92 -2.102 5.458 15.716 1.00 0.00 C ATOM 1139 NZ LYS A 92 -1.997 6.624 16.637 1.00 0.00 N ATOM 0 H LYS A 92 -4.752 1.206 12.850 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.088 4.059 13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.805 2.029 14.988 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.062 2.108 15.148 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.433 4.743 15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.826 3.708 16.500 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.920 4.482 17.444 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.079 3.406 16.346 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.108 5.181 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.682 5.740 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.547 7.419 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.948 6.905 16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.422 6.363 17.464 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.568 3.855 12.981 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.170 3.781 12.562 1.00 0.00 C ATOM 1155 C TYR A 93 0.486 2.514 13.107 1.00 0.00 C ATOM 1156 O TYR A 93 0.721 2.394 14.309 1.00 0.00 O ATOM 1157 CB TYR A 93 0.591 5.021 13.042 1.00 0.00 C ATOM 1158 CG TYR A 93 1.740 5.442 12.145 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.704 5.224 10.770 1.00 0.00 C ATOM 1160 CD2 TYR A 93 2.862 6.066 12.678 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.751 5.616 9.958 1.00 0.00 C ATOM 1162 CE2 TYR A 93 3.912 6.460 11.870 1.00 0.00 C ATOM 1163 CZ TYR A 93 3.852 6.234 10.512 1.00 0.00 C ATOM 1164 OH TYR A 93 4.895 6.626 9.706 1.00 0.00 O ATOM 0 H TYR A 93 -1.851 4.764 13.348 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.135 3.746 11.473 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.110 5.851 13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.979 4.829 14.042 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.844 4.741 10.331 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.914 6.246 13.742 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.707 5.439 8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.776 6.943 12.301 1.00 0.00 H new ATOM 0 HH TYR A 93 5.591 7.046 10.253 1.00 0.00 H new ATOM 1174 N HIS A 94 0.766 1.567 12.216 1.00 0.00 N ATOM 1175 CA HIS A 94 1.381 0.304 12.614 1.00 0.00 C ATOM 1176 C HIS A 94 2.639 0.025 11.800 1.00 0.00 C ATOM 1177 O HIS A 94 2.884 0.666 10.779 1.00 0.00 O ATOM 1178 CB HIS A 94 0.385 -0.844 12.444 1.00 0.00 C ATOM 1179 CG HIS A 94 0.672 -2.018 13.327 1.00 0.00 C ATOM 1180 ND1 HIS A 94 1.381 -3.122 12.903 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.342 -2.258 14.618 1.00 0.00 C ATOM 1182 CE1 HIS A 94 1.474 -3.990 13.895 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.853 -3.490 14.946 1.00 0.00 N ATOM 0 H HIS A 94 0.578 1.649 11.217 1.00 0.00 H new ATOM 0 HA HIS A 94 1.664 0.383 13.664 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.620 -0.477 12.655 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.393 -1.171 11.404 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.218 -1.603 15.269 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.974 -4.947 13.853 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.766 -3.945 15.855 1.00 0.00 H new ATOM 1192 N GLY A 95 3.435 -0.936 12.263 1.00 0.00 N ATOM 1193 CA GLY A 95 4.666 -1.287 11.574 1.00 0.00 C ATOM 1194 C GLY A 95 4.484 -1.413 10.073 1.00 0.00 C ATOM 1195 O GLY A 95 5.337 -0.978 9.299 1.00 0.00 O ATOM 0 H GLY A 95 3.249 -1.479 13.106 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.422 -0.530 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.043 -2.230 11.970 1.00 0.00 H new ATOM 1199 N ARG A 96 3.368 -2.005 9.662 1.00 0.00 N ATOM 1200 CA ARG A 96 3.075 -2.181 8.244 1.00 0.00 C ATOM 1201 C ARG A 96 3.073 -0.835 7.526 1.00 0.00 C ATOM 1202 O ARG A 96 3.980 -0.539 6.748 1.00 0.00 O ATOM 1203 CB ARG A 96 1.727 -2.880 8.070 1.00 0.00 C ATOM 1204 CG ARG A 96 1.716 -4.309 8.590 1.00 0.00 C ATOM 1205 CD ARG A 96 1.768 -5.318 7.454 1.00 0.00 C ATOM 1206 NE ARG A 96 1.564 -6.685 7.926 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.511 -7.417 8.509 1.00 0.00 C ATOM 1208 NH1 ARG A 96 3.728 -6.918 8.690 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.241 -8.651 8.911 1.00 0.00 N ATOM 0 H ARG A 96 2.652 -2.371 10.290 1.00 0.00 H new ATOM 0 HA ARG A 96 3.853 -2.803 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.959 -2.306 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.462 -2.884 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.568 -4.462 9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.817 -4.474 9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.005 -5.072 6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.733 -5.248 6.951 1.00 0.00 H new ATOM 0 HE ARG A 96 0.642 -7.103 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.941 -5.969 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.450 -7.483 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.308 -9.039 8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.966 -9.212 9.358 1.00 0.00 H new ATOM 1223 N VAL A 97 2.054 -0.019 7.804 1.00 0.00 N ATOM 1224 CA VAL A 97 1.930 1.308 7.203 1.00 0.00 C ATOM 1225 C VAL A 97 3.280 1.987 7.081 1.00 0.00 C ATOM 1226 O VAL A 97 3.548 2.681 6.114 1.00 0.00 O ATOM 1227 CB VAL A 97 1.019 2.221 8.040 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.789 3.549 7.335 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.292 1.526 8.334 1.00 0.00 C ATOM 0 H VAL A 97 1.298 -0.258 8.446 1.00 0.00 H new ATOM 0 HA VAL A 97 1.497 1.157 6.214 1.00 0.00 H new ATOM 0 HB VAL A 97 1.515 2.431 8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.142 4.178 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.745 4.051 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.316 3.371 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.927 2.184 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.794 1.285 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.101 0.608 8.890 1.00 0.00 H new ATOM 1239 N LYS A 98 4.124 1.791 8.077 1.00 0.00 N ATOM 1240 CA LYS A 98 5.439 2.398 8.070 1.00 0.00 C ATOM 1241 C LYS A 98 6.251 1.926 6.870 1.00 0.00 C ATOM 1242 O LYS A 98 6.416 2.652 5.891 1.00 0.00 O ATOM 1243 CB LYS A 98 6.175 2.087 9.370 1.00 0.00 C ATOM 1244 CG LYS A 98 6.465 3.329 10.189 1.00 0.00 C ATOM 1245 CD LYS A 98 5.919 3.217 11.600 1.00 0.00 C ATOM 1246 CE LYS A 98 4.411 3.049 11.604 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.944 2.332 12.820 1.00 0.00 N ATOM 0 H LYS A 98 3.923 1.219 8.897 1.00 0.00 H new ATOM 0 HA LYS A 98 5.315 3.478 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.578 1.396 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.113 1.581 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.542 3.494 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.027 4.198 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.382 2.368 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.188 4.109 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.935 4.028 11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.103 2.498 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.905 2.294 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.326 1.365 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.275 2.835 13.668 1.00 0.00 H new ATOM 1261 N ALA A 99 6.760 0.702 6.965 1.00 0.00 N ATOM 1262 CA ALA A 99 7.566 0.117 5.903 1.00 0.00 C ATOM 1263 C ALA A 99 6.822 0.103 4.572 1.00 0.00 C ATOM 1264 O ALA A 99 7.422 0.303 3.518 1.00 0.00 O ATOM 1265 CB ALA A 99 7.989 -1.294 6.284 1.00 0.00 C ATOM 0 H ALA A 99 6.626 0.094 7.773 1.00 0.00 H new ATOM 0 HA ALA A 99 8.453 0.738 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.591 -1.722 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.576 -1.263 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.103 -1.910 6.441 1.00 0.00 H new ATOM 1271 N LEU A 100 5.515 -0.129 4.621 1.00 0.00 N ATOM 1272 CA LEU A 100 4.703 -0.172 3.423 1.00 0.00 C ATOM 1273 C LEU A 100 4.583 1.204 2.797 1.00 0.00 C ATOM 1274 O LEU A 100 4.767 1.375 1.591 1.00 0.00 O ATOM 1275 CB LEU A 100 3.309 -0.700 3.763 1.00 0.00 C ATOM 1276 CG LEU A 100 2.251 -0.437 2.696 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.259 -1.586 2.632 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.531 0.882 2.954 1.00 0.00 C ATOM 0 H LEU A 100 4.998 -0.290 5.485 1.00 0.00 H new ATOM 0 HA LEU A 100 5.186 -0.837 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.374 -1.775 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.982 -0.247 4.699 1.00 0.00 H new ATOM 0 HG LEU A 100 2.754 -0.363 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.512 -1.380 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.786 -2.508 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.766 -1.695 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.782 1.045 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.043 0.846 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.252 1.699 2.940 1.00 0.00 H new ATOM 1290 N ALA A 101 4.247 2.175 3.624 1.00 0.00 N ATOM 1291 CA ALA A 101 4.067 3.538 3.158 1.00 0.00 C ATOM 1292 C ALA A 101 5.348 4.092 2.553 1.00 0.00 C ATOM 1293 O ALA A 101 5.290 4.870 1.602 1.00 0.00 O ATOM 1294 CB ALA A 101 3.544 4.422 4.271 1.00 0.00 C ATOM 0 H ALA A 101 4.093 2.046 4.624 1.00 0.00 H new ATOM 0 HA ALA A 101 3.319 3.527 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.417 5.439 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.584 4.040 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.254 4.425 5.098 1.00 0.00 H new ATOM 1300 N GLU A 102 6.510 3.668 3.058 1.00 0.00 N ATOM 1301 CA GLU A 102 7.759 4.135 2.466 1.00 0.00 C ATOM 1302 C GLU A 102 7.864 3.526 1.085 1.00 0.00 C ATOM 1303 O GLU A 102 8.127 4.220 0.121 1.00 0.00 O ATOM 1304 CB GLU A 102 9.016 3.801 3.286 1.00 0.00 C ATOM 1305 CG GLU A 102 8.765 3.033 4.578 1.00 0.00 C ATOM 1306 CD GLU A 102 10.041 2.469 5.172 1.00 0.00 C ATOM 1307 OE1 GLU A 102 11.023 2.301 4.419 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.059 2.196 6.391 1.00 0.00 O ATOM 0 H GLU A 102 6.609 3.027 3.845 1.00 0.00 H new ATOM 0 HA GLU A 102 7.723 5.224 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.693 3.218 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.529 4.731 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.290 3.693 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.067 2.219 4.384 1.00 0.00 H new ATOM 1315 N GLY A 103 7.594 2.226 0.989 1.00 0.00 N ATOM 1316 CA GLY A 103 7.609 1.565 -0.305 1.00 0.00 C ATOM 1317 C GLY A 103 6.812 2.355 -1.311 1.00 0.00 C ATOM 1318 O GLY A 103 7.299 2.745 -2.371 1.00 0.00 O ATOM 0 H GLY A 103 7.367 1.622 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.636 1.455 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.195 0.561 -0.212 1.00 0.00 H new ATOM 1322 N ALA A 104 5.553 2.561 -0.945 1.00 0.00 N ATOM 1323 CA ALA A 104 4.601 3.283 -1.767 1.00 0.00 C ATOM 1324 C ALA A 104 5.043 4.724 -1.991 1.00 0.00 C ATOM 1325 O ALA A 104 4.802 5.301 -3.049 1.00 0.00 O ATOM 1326 CB ALA A 104 3.228 3.231 -1.124 1.00 0.00 C ATOM 0 H ALA A 104 5.165 2.228 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 104 4.553 2.804 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.515 3.774 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.909 2.193 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.272 3.688 -0.136 1.00 0.00 H new ATOM 1332 N ARG A 105 5.706 5.304 -0.994 1.00 0.00 N ATOM 1333 CA ARG A 105 6.190 6.679 -1.098 1.00 0.00 C ATOM 1334 C ARG A 105 7.602 6.710 -1.678 1.00 0.00 C ATOM 1335 O ARG A 105 8.018 7.702 -2.276 1.00 0.00 O ATOM 1336 CB ARG A 105 6.148 7.367 0.273 1.00 0.00 C ATOM 1337 CG ARG A 105 6.906 8.687 0.340 1.00 0.00 C ATOM 1338 CD ARG A 105 6.092 9.830 -0.245 1.00 0.00 C ATOM 1339 NE ARG A 105 5.428 10.615 0.793 1.00 0.00 N ATOM 1340 CZ ARG A 105 6.041 11.536 1.534 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.332 11.790 1.355 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.362 12.204 2.456 1.00 0.00 N ATOM 0 H ARG A 105 5.920 4.846 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 105 5.534 7.226 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.108 7.546 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.560 6.688 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.156 8.911 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.847 8.595 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.745 10.479 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.345 9.430 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 105 4.436 10.448 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.859 11.279 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.797 12.497 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.370 12.012 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.831 12.910 3.024 1.00 0.00 H new ATOM 1356 N GLU A 106 8.326 5.613 -1.506 1.00 0.00 N ATOM 1357 CA GLU A 106 9.678 5.495 -2.015 1.00 0.00 C ATOM 1358 C GLU A 106 9.615 5.137 -3.496 1.00 0.00 C ATOM 1359 O GLU A 106 10.461 5.549 -4.290 1.00 0.00 O ATOM 1360 CB GLU A 106 10.445 4.421 -1.220 1.00 0.00 C ATOM 1361 CG GLU A 106 10.365 3.022 -1.817 1.00 0.00 C ATOM 1362 CD GLU A 106 11.254 2.029 -1.098 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.960 2.439 -0.153 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.246 0.840 -1.481 1.00 0.00 O ATOM 0 H GLU A 106 7.992 4.786 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 106 10.208 6.441 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.492 4.715 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.056 4.392 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.333 2.674 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.649 3.063 -2.869 1.00 0.00 H new ATOM 1371 N GLY A 107 8.585 4.368 -3.853 1.00 0.00 N ATOM 1372 CA GLY A 107 8.394 3.961 -5.230 1.00 0.00 C ATOM 1373 C GLY A 107 7.927 5.117 -6.103 1.00 0.00 C ATOM 1374 O GLY A 107 8.475 5.335 -7.184 1.00 0.00 O ATOM 0 H GLY A 107 7.878 4.020 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.329 3.563 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.661 3.155 -5.272 1.00 0.00 H new ATOM 1378 N GLY A 108 6.928 5.879 -5.636 1.00 0.00 N ATOM 1379 CA GLY A 108 6.449 7.014 -6.417 1.00 0.00 C ATOM 1380 C GLY A 108 5.243 7.736 -5.822 1.00 0.00 C ATOM 1381 O GLY A 108 5.063 8.931 -6.055 1.00 0.00 O ATOM 0 H GLY A 108 6.451 5.732 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.264 7.729 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.190 6.666 -7.417 1.00 0.00 H new ATOM 1385 N LEU A 109 4.397 7.017 -5.090 1.00 0.00 N ATOM 1386 CA LEU A 109 3.192 7.601 -4.513 1.00 0.00 C ATOM 1387 C LEU A 109 3.477 8.554 -3.362 1.00 0.00 C ATOM 1388 O LEU A 109 4.364 8.329 -2.548 1.00 0.00 O ATOM 1389 CB LEU A 109 2.268 6.491 -4.032 1.00 0.00 C ATOM 1390 CG LEU A 109 1.568 5.743 -5.151 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.583 5.160 -6.112 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.657 4.663 -4.589 1.00 0.00 C ATOM 0 H LEU A 109 4.525 6.027 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 109 2.719 8.187 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.847 5.781 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.516 6.920 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 109 0.946 6.447 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.065 4.627 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.180 5.964 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.235 4.469 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.165 4.139 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.248 3.955 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.096 5.120 -3.947 1.00 0.00 H new ATOM 1404 N GLU A 110 2.688 9.618 -3.306 1.00 0.00 N ATOM 1405 CA GLU A 110 2.809 10.621 -2.257 1.00 0.00 C ATOM 1406 C GLU A 110 1.458 10.862 -1.591 1.00 0.00 C ATOM 1407 O GLU A 110 0.645 11.648 -2.077 1.00 0.00 O ATOM 1408 CB GLU A 110 3.362 11.924 -2.827 1.00 0.00 C ATOM 1409 CG GLU A 110 4.879 12.004 -2.772 1.00 0.00 C ATOM 1410 CD GLU A 110 5.521 11.890 -4.141 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.691 12.933 -4.807 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.854 10.757 -4.548 1.00 0.00 O ATOM 0 H GLU A 110 1.949 9.810 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 110 3.504 10.250 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.036 12.028 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.940 12.763 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.173 12.949 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.258 11.208 -2.130 1.00 0.00 H new ATOM 1419 N PHE A 111 1.222 10.168 -0.486 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.035 10.285 0.247 1.00 0.00 C ATOM 1421 C PHE A 111 0.205 10.798 1.664 1.00 0.00 C ATOM 1422 O PHE A 111 -0.633 11.582 2.158 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.735 8.923 0.293 1.00 0.00 C ATOM 1424 CG PHE A 111 0.226 7.775 0.375 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.925 7.367 -0.745 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.445 7.120 1.574 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.824 6.324 -0.674 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.346 6.077 1.654 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.036 5.679 0.528 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.227 10.410 2.268 1.00 0.00 O ATOM 0 H PHE A 111 1.888 9.514 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.672 11.003 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.403 8.893 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.355 8.809 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.765 7.871 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.095 7.428 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.361 6.012 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.510 5.574 2.596 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.742 4.863 0.587 1.00 0.00 H new