USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 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= -0.188 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.817 K(o=-0.82,f=-0.018) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 36:sc= 0.513 USER MOD Single : A 51 SER OG : rot -143:sc= 1.41 USER MOD Single : A 52 SER OG : rot 180:sc= -4.49! USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00765) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -0.0153 (180deg=-0.191) USER MOD Single : A 83 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.13) USER MOD Single : A 91 TYR OH : rot 55:sc= 1.5 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 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -8.31! (180deg=-9.27!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.343 10.288 -6.380 1.00 0.00 N ATOM 28 CA LEU A 23 -6.412 8.858 -6.121 1.00 0.00 C ATOM 29 C LEU A 23 -6.215 8.568 -4.640 1.00 0.00 C ATOM 30 O LEU A 23 -5.334 9.132 -4.002 1.00 0.00 O ATOM 31 CB LEU A 23 -5.392 8.126 -6.988 1.00 0.00 C ATOM 32 CG LEU A 23 -5.572 8.380 -8.484 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.527 9.359 -8.998 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.523 7.075 -9.255 1.00 0.00 C ATOM 0 HA LEU A 23 -7.403 8.491 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.389 8.433 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.466 7.055 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.553 8.829 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.676 9.523 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.624 10.306 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.531 8.950 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.653 7.276 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.560 6.592 -9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.321 6.418 -8.910 1.00 0.00 H new ATOM 46 N ARG A 24 -7.073 7.710 -4.094 1.00 0.00 N ATOM 47 CA ARG A 24 -7.027 7.368 -2.675 1.00 0.00 C ATOM 48 C ARG A 24 -6.354 6.017 -2.431 1.00 0.00 C ATOM 49 O ARG A 24 -6.737 5.001 -3.010 1.00 0.00 O ATOM 50 CB ARG A 24 -8.450 7.372 -2.099 1.00 0.00 C ATOM 51 CG ARG A 24 -8.573 6.760 -0.708 1.00 0.00 C ATOM 52 CD ARG A 24 -9.050 7.782 0.313 1.00 0.00 C ATOM 53 NE ARG A 24 -10.454 8.137 0.122 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.473 7.402 0.563 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.250 6.267 1.214 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.719 7.802 0.351 1.00 0.00 N ATOM 0 H ARG A 24 -7.811 7.237 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.424 8.120 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.810 8.400 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.105 6.829 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.270 5.923 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.607 6.360 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.911 7.382 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.436 8.680 0.240 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.667 9.000 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.294 5.953 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.035 5.709 1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.897 8.673 -0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.500 7.239 0.689 1.00 0.00 H new ATOM 70 N LEU A 25 -5.356 6.027 -1.551 1.00 0.00 N ATOM 71 CA LEU A 25 -4.619 4.826 -1.188 1.00 0.00 C ATOM 72 C LEU A 25 -5.239 4.190 0.055 1.00 0.00 C ATOM 73 O LEU A 25 -5.723 4.895 0.940 1.00 0.00 O ATOM 74 CB LEU A 25 -3.159 5.187 -0.918 1.00 0.00 C ATOM 75 CG LEU A 25 -2.151 4.075 -1.176 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.731 4.563 -0.940 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.445 2.869 -0.309 1.00 0.00 C ATOM 0 H LEU A 25 -5.038 6.869 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.667 4.111 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.894 6.044 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.067 5.503 0.121 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.242 3.778 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.030 3.750 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.515 5.393 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.628 4.896 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.712 2.088 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.391 3.154 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.444 2.495 -0.532 1.00 0.00 H new ATOM 89 N SER A 26 -5.228 2.864 0.126 1.00 0.00 N ATOM 90 CA SER A 26 -5.799 2.171 1.281 1.00 0.00 C ATOM 91 C SER A 26 -5.087 0.845 1.544 1.00 0.00 C ATOM 92 O SER A 26 -5.258 -0.115 0.795 1.00 0.00 O ATOM 93 CB SER A 26 -7.291 1.918 1.055 1.00 0.00 C ATOM 94 OG SER A 26 -7.815 2.798 0.076 1.00 0.00 O ATOM 0 H SER A 26 -4.837 2.252 -0.590 1.00 0.00 H new ATOM 0 HA SER A 26 -5.663 2.809 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.444 0.886 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.831 2.049 1.993 1.00 0.00 H new ATOM 0 HG SER A 26 -8.769 2.615 -0.051 1.00 0.00 H new ATOM 100 N VAL A 27 -4.301 0.786 2.619 1.00 0.00 N ATOM 101 CA VAL A 27 -3.586 -0.439 2.968 1.00 0.00 C ATOM 102 C VAL A 27 -4.353 -1.252 4.002 1.00 0.00 C ATOM 103 O VAL A 27 -4.779 -0.729 5.031 1.00 0.00 O ATOM 104 CB VAL A 27 -2.163 -0.153 3.493 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.156 0.078 4.998 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.235 -1.294 3.135 1.00 0.00 C ATOM 0 H VAL A 27 -4.145 1.566 3.258 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.502 -1.017 2.048 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.810 0.761 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.137 0.276 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.789 0.932 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.537 -0.809 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.234 -1.081 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.602 -2.217 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.199 -1.408 2.052 1.00 0.00 H new ATOM 116 N PHE A 28 -4.534 -2.532 3.713 1.00 0.00 N ATOM 117 CA PHE A 28 -5.257 -3.421 4.596 1.00 0.00 C ATOM 118 C PHE A 28 -4.372 -4.517 5.179 1.00 0.00 C ATOM 119 O PHE A 28 -3.735 -5.275 4.448 1.00 0.00 O ATOM 120 CB PHE A 28 -6.419 -4.057 3.845 1.00 0.00 C ATOM 121 CG PHE A 28 -7.635 -4.158 4.700 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.115 -3.032 5.338 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.278 -5.366 4.892 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.216 -3.100 6.154 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.388 -5.445 5.707 1.00 0.00 C ATOM 126 CZ PHE A 28 -9.859 -4.310 6.342 1.00 0.00 C ATOM 0 H PHE A 28 -4.185 -2.977 2.864 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.623 -2.819 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.646 -3.467 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.131 -5.051 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.617 -2.085 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.909 -6.254 4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.580 -2.211 6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.889 -6.391 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.726 -4.368 6.983 1.00 0.00 H new ATOM 136 N ARG A 29 -4.375 -4.614 6.506 1.00 0.00 N ATOM 137 CA ARG A 29 -3.611 -5.638 7.207 1.00 0.00 C ATOM 138 C ARG A 29 -4.514 -6.358 8.200 1.00 0.00 C ATOM 139 O ARG A 29 -5.051 -5.742 9.120 1.00 0.00 O ATOM 140 CB ARG A 29 -2.409 -5.028 7.938 1.00 0.00 C ATOM 141 CG ARG A 29 -1.316 -6.039 8.249 1.00 0.00 C ATOM 142 CD ARG A 29 -0.506 -6.398 7.013 1.00 0.00 C ATOM 143 NE ARG A 29 0.270 -5.265 6.513 1.00 0.00 N ATOM 144 CZ ARG A 29 -0.203 -4.351 5.668 1.00 0.00 C ATOM 145 NH1 ARG A 29 -1.427 -4.463 5.173 1.00 0.00 N ATOM 146 NH2 ARG A 29 0.557 -3.330 5.302 1.00 0.00 N ATOM 0 H ARG A 29 -4.902 -3.991 7.119 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.233 -6.350 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.990 -4.227 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.751 -4.575 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.652 -5.633 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.764 -6.942 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.168 -7.222 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.178 -6.750 6.230 1.00 0.00 H new ATOM 0 HE ARG A 29 1.234 -5.168 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.014 -5.254 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.782 -3.759 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.505 -3.243 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.194 -2.630 4.655 1.00 0.00 H new ATOM 160 N SER A 30 -4.685 -7.661 8.010 1.00 0.00 N ATOM 161 CA SER A 30 -5.536 -8.446 8.900 1.00 0.00 C ATOM 162 C SER A 30 -4.719 -9.001 10.060 1.00 0.00 C ATOM 163 O SER A 30 -5.132 -8.943 11.218 1.00 0.00 O ATOM 164 CB SER A 30 -6.197 -9.591 8.130 1.00 0.00 C ATOM 165 OG SER A 30 -7.174 -9.102 7.227 1.00 0.00 O ATOM 0 H SER A 30 -4.251 -8.193 7.256 1.00 0.00 H new ATOM 0 HA SER A 30 -6.314 -7.795 9.298 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.439 -10.150 7.582 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.660 -10.285 8.831 1.00 0.00 H new ATOM 0 HG SER A 30 -7.580 -9.853 6.746 1.00 0.00 H new ATOM 171 N LEU A 31 -3.554 -9.534 9.726 1.00 0.00 N ATOM 172 CA LEU A 31 -2.643 -10.107 10.706 1.00 0.00 C ATOM 173 C LEU A 31 -1.408 -10.633 9.992 1.00 0.00 C ATOM 174 O LEU A 31 -0.280 -10.241 10.291 1.00 0.00 O ATOM 175 CB LEU A 31 -3.327 -11.234 11.486 1.00 0.00 C ATOM 176 CG LEU A 31 -4.245 -12.136 10.655 1.00 0.00 C ATOM 177 CD1 LEU A 31 -3.625 -13.514 10.477 1.00 0.00 C ATOM 178 CD2 LEU A 31 -5.616 -12.248 11.307 1.00 0.00 C ATOM 0 H LEU A 31 -3.212 -9.582 8.766 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.351 -9.335 11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.558 -11.853 11.949 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.911 -10.793 12.294 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.367 -11.686 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.292 -14.139 9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.667 -13.419 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.471 -13.972 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.255 -12.892 10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.511 -12.674 12.305 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.066 -11.258 11.381 1.00 0.00 H new ATOM 190 N LYS A 32 -1.647 -11.506 9.022 1.00 0.00 N ATOM 191 CA LYS A 32 -0.580 -12.083 8.218 1.00 0.00 C ATOM 192 C LYS A 32 -0.773 -11.726 6.743 1.00 0.00 C ATOM 193 O LYS A 32 0.029 -12.112 5.893 1.00 0.00 O ATOM 194 CB LYS A 32 -0.550 -13.603 8.388 1.00 0.00 C ATOM 195 CG LYS A 32 -0.192 -14.053 9.795 1.00 0.00 C ATOM 196 CD LYS A 32 -0.171 -15.569 9.907 1.00 0.00 C ATOM 197 CE LYS A 32 -1.456 -16.100 10.523 1.00 0.00 C ATOM 198 NZ LYS A 32 -1.600 -17.570 10.328 1.00 0.00 N ATOM 0 H LYS A 32 -2.581 -11.832 8.772 1.00 0.00 H new ATOM 0 HA LYS A 32 0.370 -11.671 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.527 -14.009 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.171 -14.024 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.785 -13.653 10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.913 -13.645 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.033 -16.006 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.680 -15.878 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.469 -15.872 11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.310 -15.589 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.488 -17.892 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.614 -17.786 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.799 -18.060 10.775 1.00 0.00 H new ATOM 212 N HIS A 33 -1.850 -10.994 6.444 1.00 0.00 N ATOM 213 CA HIS A 33 -2.153 -10.599 5.073 1.00 0.00 C ATOM 214 C HIS A 33 -1.972 -9.101 4.869 1.00 0.00 C ATOM 215 O HIS A 33 -2.736 -8.290 5.392 1.00 0.00 O ATOM 216 CB HIS A 33 -3.582 -10.993 4.709 1.00 0.00 C ATOM 217 CG HIS A 33 -3.822 -12.466 4.777 1.00 0.00 C ATOM 218 ND1 HIS A 33 -5.042 -13.049 4.506 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.982 -13.477 5.088 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.941 -14.359 4.649 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.700 -14.644 5.001 1.00 0.00 N ATOM 0 H HIS A 33 -2.524 -10.665 7.135 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.453 -11.121 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.274 -10.487 5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.803 -10.641 3.701 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.940 -13.385 5.355 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.737 -15.074 4.503 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.334 -15.579 5.179 1.00 0.00 H new ATOM 230 N ILE A 34 -0.957 -8.752 4.099 1.00 0.00 N ATOM 231 CA ILE A 34 -0.648 -7.375 3.796 1.00 0.00 C ATOM 232 C ILE A 34 -1.180 -7.003 2.417 1.00 0.00 C ATOM 233 O ILE A 34 -0.969 -7.732 1.448 1.00 0.00 O ATOM 234 CB ILE A 34 0.873 -7.172 3.837 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.248 -5.789 3.336 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.571 -8.247 3.018 1.00 0.00 C ATOM 237 CD1 ILE A 34 2.365 -5.173 4.133 1.00 0.00 C ATOM 0 H ILE A 34 -0.323 -9.424 3.666 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.123 -6.733 4.538 1.00 0.00 H new ATOM 0 HB ILE A 34 1.203 -7.255 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.545 -5.853 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.373 -5.140 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.649 -8.091 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.332 -9.229 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.233 -8.193 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.595 -4.185 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.061 -5.082 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.250 -5.805 4.068 1.00 0.00 H new ATOM 249 N TYR A 35 -1.881 -5.877 2.330 1.00 0.00 N ATOM 250 CA TYR A 35 -2.446 -5.445 1.063 1.00 0.00 C ATOM 251 C TYR A 35 -2.523 -3.927 0.958 1.00 0.00 C ATOM 252 O TYR A 35 -2.749 -3.235 1.942 1.00 0.00 O ATOM 253 CB TYR A 35 -3.850 -6.034 0.891 1.00 0.00 C ATOM 254 CG TYR A 35 -3.847 -7.493 0.490 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.570 -8.489 1.418 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.116 -7.873 -0.819 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.561 -9.822 1.053 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.110 -9.203 -1.192 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.832 -10.174 -0.252 1.00 0.00 C ATOM 260 OH TYR A 35 -3.824 -11.500 -0.619 1.00 0.00 O ATOM 0 H TYR A 35 -2.069 -5.254 3.116 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.786 -5.804 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.399 -5.923 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.387 -5.459 0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.358 -8.217 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.334 -7.116 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.343 -10.584 1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.322 -9.481 -2.214 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.036 -11.577 -1.573 1.00 0.00 H new ATOM 270 N ALA A 36 -2.372 -3.427 -0.260 1.00 0.00 N ATOM 271 CA ALA A 36 -2.471 -1.998 -0.530 1.00 0.00 C ATOM 272 C ALA A 36 -3.371 -1.788 -1.730 1.00 0.00 C ATOM 273 O ALA A 36 -3.180 -2.410 -2.773 1.00 0.00 O ATOM 274 CB ALA A 36 -1.108 -1.362 -0.766 1.00 0.00 C ATOM 0 H ALA A 36 -2.179 -3.995 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.896 -1.510 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.233 -0.297 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.485 -1.497 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.629 -1.836 -1.623 1.00 0.00 H new ATOM 280 N GLN A 37 -4.359 -0.927 -1.575 1.00 0.00 N ATOM 281 CA GLN A 37 -5.299 -0.659 -2.645 1.00 0.00 C ATOM 282 C GLN A 37 -5.228 0.792 -3.071 1.00 0.00 C ATOM 283 O GLN A 37 -5.598 1.696 -2.321 1.00 0.00 O ATOM 284 CB GLN A 37 -6.722 -1.007 -2.206 1.00 0.00 C ATOM 285 CG GLN A 37 -7.648 -1.352 -3.360 1.00 0.00 C ATOM 286 CD GLN A 37 -8.708 -2.366 -2.973 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.568 -2.092 -2.136 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.650 -3.544 -3.582 1.00 0.00 N ATOM 0 H GLN A 37 -4.531 -0.401 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.030 -1.284 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.684 -1.851 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.140 -0.164 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.133 -0.443 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.059 -1.745 -4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.919 -3.727 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.336 -4.266 -3.362 1.00 0.00 H new ATOM 297 N ILE A 38 -4.765 1.004 -4.288 1.00 0.00 N ATOM 298 CA ILE A 38 -4.659 2.340 -4.836 1.00 0.00 C ATOM 299 C ILE A 38 -5.844 2.583 -5.753 1.00 0.00 C ATOM 300 O ILE A 38 -5.903 2.061 -6.871 1.00 0.00 O ATOM 301 CB ILE A 38 -3.329 2.557 -5.591 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.259 1.547 -5.113 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.863 3.994 -5.402 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.211 2.107 -4.175 1.00 0.00 C ATOM 0 H ILE A 38 -4.455 0.264 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.667 3.056 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.487 2.383 -6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.763 0.718 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.756 1.135 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.925 4.145 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.617 4.676 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.713 4.191 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.510 1.319 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.673 2.914 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.695 2.492 -3.277 1.00 0.00 H new ATOM 316 N ILE A 39 -6.814 3.329 -5.236 1.00 0.00 N ATOM 317 CA ILE A 39 -8.053 3.606 -5.957 1.00 0.00 C ATOM 318 C ILE A 39 -8.113 5.023 -6.514 1.00 0.00 C ATOM 319 O ILE A 39 -7.407 5.920 -6.054 1.00 0.00 O ATOM 320 CB ILE A 39 -9.266 3.403 -5.025 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.154 2.068 -4.287 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.570 3.478 -5.803 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.487 2.186 -2.935 1.00 0.00 C ATOM 0 H ILE A 39 -6.766 3.757 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.080 2.909 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.268 4.207 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.151 1.648 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.591 1.367 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.409 3.332 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.655 4.455 -6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.583 2.701 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.440 1.203 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.477 2.577 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.062 2.863 -2.303 1.00 0.00 H new ATOM 335 N ASP A 40 -8.997 5.215 -7.489 1.00 0.00 N ATOM 336 CA ASP A 40 -9.209 6.516 -8.099 1.00 0.00 C ATOM 337 C ASP A 40 -10.335 7.226 -7.362 1.00 0.00 C ATOM 338 O ASP A 40 -11.470 6.729 -7.323 1.00 0.00 O ATOM 339 CB ASP A 40 -9.557 6.375 -9.584 1.00 0.00 C ATOM 340 CG ASP A 40 -8.632 7.181 -10.474 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.408 8.373 -10.174 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.131 6.621 -11.472 1.00 0.00 O ATOM 0 H ASP A 40 -9.582 4.474 -7.874 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.291 7.099 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.505 5.324 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.585 6.699 -9.746 1.00 0.00 H new ATOM 347 N ASP A 41 -9.990 8.367 -6.763 1.00 0.00 N ATOM 348 CA ASP A 41 -10.928 9.176 -5.980 1.00 0.00 C ATOM 349 C ASP A 41 -11.618 10.243 -6.828 1.00 0.00 C ATOM 350 O ASP A 41 -12.177 11.204 -6.300 1.00 0.00 O ATOM 351 CB ASP A 41 -10.200 9.839 -4.810 1.00 0.00 C ATOM 352 CG ASP A 41 -11.126 10.137 -3.648 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.154 9.440 -3.513 1.00 0.00 O ATOM 354 OD2 ASP A 41 -10.825 11.069 -2.872 1.00 0.00 O ATOM 0 H ASP A 41 -9.049 8.758 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.699 8.503 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.394 9.188 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.739 10.766 -5.151 1.00 0.00 H new ATOM 359 N GLU A 42 -11.624 10.034 -8.133 1.00 0.00 N ATOM 360 CA GLU A 42 -12.301 10.933 -9.062 1.00 0.00 C ATOM 361 C GLU A 42 -13.521 10.178 -9.523 1.00 0.00 C ATOM 362 O GLU A 42 -14.659 10.641 -9.441 1.00 0.00 O ATOM 363 CB GLU A 42 -11.398 11.292 -10.245 1.00 0.00 C ATOM 364 CG GLU A 42 -12.103 12.088 -11.330 1.00 0.00 C ATOM 365 CD GLU A 42 -11.267 12.231 -12.587 1.00 0.00 C ATOM 366 OE1 GLU A 42 -11.090 11.222 -13.301 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.788 13.353 -12.857 1.00 0.00 O ATOM 0 H GLU A 42 -11.163 9.242 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.563 11.879 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.547 11.867 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.001 10.375 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.045 11.600 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.348 13.079 -10.947 1.00 0.00 H new ATOM 374 N LYS A 43 -13.238 8.949 -9.905 1.00 0.00 N ATOM 375 CA LYS A 43 -14.228 7.983 -10.279 1.00 0.00 C ATOM 376 C LYS A 43 -13.862 6.739 -9.499 1.00 0.00 C ATOM 377 O LYS A 43 -12.761 6.219 -9.664 1.00 0.00 O ATOM 378 CB LYS A 43 -14.183 7.705 -11.782 1.00 0.00 C ATOM 379 CG LYS A 43 -14.497 8.921 -12.634 1.00 0.00 C ATOM 380 CD LYS A 43 -15.933 9.383 -12.441 1.00 0.00 C ATOM 381 CE LYS A 43 -16.345 10.387 -13.506 1.00 0.00 C ATOM 382 NZ LYS A 43 -17.433 9.860 -14.374 1.00 0.00 N ATOM 0 H LYS A 43 -12.284 8.594 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.239 8.329 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.193 7.333 -12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.894 6.913 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.815 9.732 -12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.328 8.684 -13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.601 8.522 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.042 9.833 -11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.677 11.308 -13.027 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.481 10.640 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.685 10.574 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.108 8.995 -14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.267 9.642 -13.792 1.00 0.00 H new ATOM 396 N GLY A 44 -14.746 6.282 -8.625 1.00 0.00 N ATOM 397 CA GLY A 44 -14.429 5.117 -7.820 1.00 0.00 C ATOM 398 C GLY A 44 -13.847 4.000 -8.653 1.00 0.00 C ATOM 399 O GLY A 44 -14.582 3.175 -9.197 1.00 0.00 O ATOM 0 H GLY A 44 -15.666 6.689 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.720 5.396 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.331 4.765 -7.319 1.00 0.00 H new ATOM 403 N VAL A 45 -12.523 3.996 -8.797 1.00 0.00 N ATOM 404 CA VAL A 45 -11.873 2.985 -9.628 1.00 0.00 C ATOM 405 C VAL A 45 -10.620 2.389 -8.988 1.00 0.00 C ATOM 406 O VAL A 45 -9.602 3.061 -8.858 1.00 0.00 O ATOM 407 CB VAL A 45 -11.484 3.593 -10.991 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.831 2.548 -11.887 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.703 4.204 -11.671 1.00 0.00 C ATOM 0 H VAL A 45 -11.891 4.666 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.598 2.180 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.756 4.385 -10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.566 3.002 -12.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.931 2.166 -11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.528 1.727 -12.056 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.410 4.628 -12.631 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.456 3.432 -11.830 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.117 4.990 -11.039 1.00 0.00 H new ATOM 419 N THR A 46 -10.686 1.108 -8.634 1.00 0.00 N ATOM 420 CA THR A 46 -9.535 0.422 -8.055 1.00 0.00 C ATOM 421 C THR A 46 -8.548 0.072 -9.163 1.00 0.00 C ATOM 422 O THR A 46 -8.829 -0.780 -10.006 1.00 0.00 O ATOM 423 CB THR A 46 -9.972 -0.846 -7.317 1.00 0.00 C ATOM 424 OG1 THR A 46 -10.986 -0.553 -6.373 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.839 -1.530 -6.578 1.00 0.00 C ATOM 0 H THR A 46 -11.518 0.528 -8.737 1.00 0.00 H new ATOM 0 HA THR A 46 -9.055 1.083 -7.334 1.00 0.00 H new ATOM 0 HB THR A 46 -10.337 -1.520 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.253 -1.376 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.217 -2.421 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.062 -1.815 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.423 -0.847 -5.838 1.00 0.00 H new ATOM 433 N LEU A 47 -7.408 0.753 -9.180 1.00 0.00 N ATOM 434 CA LEU A 47 -6.408 0.524 -10.217 1.00 0.00 C ATOM 435 C LEU A 47 -5.384 -0.529 -9.818 1.00 0.00 C ATOM 436 O LEU A 47 -5.139 -1.474 -10.568 1.00 0.00 O ATOM 437 CB LEU A 47 -5.687 1.825 -10.573 1.00 0.00 C ATOM 438 CG LEU A 47 -6.518 3.090 -10.421 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.351 3.681 -9.030 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.138 4.104 -11.488 1.00 0.00 C ATOM 0 H LEU A 47 -7.154 1.463 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.948 0.152 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.801 1.914 -9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.341 1.759 -11.604 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.568 2.830 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.954 4.585 -8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.676 2.955 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.302 3.927 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.741 5.004 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.083 4.358 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.317 3.678 -12.475 1.00 0.00 H new ATOM 452 N VAL A 48 -4.758 -0.359 -8.656 1.00 0.00 N ATOM 453 CA VAL A 48 -3.737 -1.306 -8.223 1.00 0.00 C ATOM 454 C VAL A 48 -4.033 -1.909 -6.852 1.00 0.00 C ATOM 455 O VAL A 48 -4.571 -1.252 -5.962 1.00 0.00 O ATOM 456 CB VAL A 48 -2.339 -0.640 -8.219 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.478 -1.136 -7.063 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.640 -0.883 -9.547 1.00 0.00 C ATOM 0 H VAL A 48 -4.935 0.410 -8.009 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.747 -2.123 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.482 0.432 -8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.506 -0.644 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.969 -0.905 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.342 -2.214 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.658 -0.410 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.525 -1.955 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.236 -0.458 -10.355 1.00 0.00 H new ATOM 468 N SER A 49 -3.643 -3.172 -6.704 1.00 0.00 N ATOM 469 CA SER A 49 -3.817 -3.910 -5.462 1.00 0.00 C ATOM 470 C SER A 49 -2.705 -4.944 -5.330 1.00 0.00 C ATOM 471 O SER A 49 -2.602 -5.863 -6.142 1.00 0.00 O ATOM 472 CB SER A 49 -5.186 -4.586 -5.423 1.00 0.00 C ATOM 473 OG SER A 49 -5.347 -5.483 -6.509 1.00 0.00 O ATOM 0 H SER A 49 -3.196 -3.712 -7.446 1.00 0.00 H new ATOM 0 HA SER A 49 -3.764 -3.216 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.301 -5.125 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.969 -3.829 -5.454 1.00 0.00 H new ATOM 0 HG SER A 49 -4.489 -5.913 -6.708 1.00 0.00 H new ATOM 479 N ALA A 50 -1.854 -4.774 -4.324 1.00 0.00 N ATOM 480 CA ALA A 50 -0.727 -5.685 -4.123 1.00 0.00 C ATOM 481 C ALA A 50 -0.694 -6.275 -2.718 1.00 0.00 C ATOM 482 O ALA A 50 -1.325 -5.762 -1.797 1.00 0.00 O ATOM 483 CB ALA A 50 0.583 -4.964 -4.408 1.00 0.00 C ATOM 0 H ALA A 50 -1.920 -4.021 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.858 -6.513 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.416 -5.650 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.587 -4.611 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.685 -4.114 -3.733 1.00 0.00 H new ATOM 489 N SER A 51 0.069 -7.356 -2.574 1.00 0.00 N ATOM 490 CA SER A 51 0.228 -8.039 -1.295 1.00 0.00 C ATOM 491 C SER A 51 1.604 -8.698 -1.222 1.00 0.00 C ATOM 492 O SER A 51 1.986 -9.452 -2.117 1.00 0.00 O ATOM 493 CB SER A 51 -0.870 -9.088 -1.110 1.00 0.00 C ATOM 494 OG SER A 51 -1.409 -9.490 -2.357 1.00 0.00 O ATOM 0 H SER A 51 0.593 -7.781 -3.339 1.00 0.00 H new ATOM 0 HA SER A 51 0.144 -7.305 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.464 -9.955 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.663 -8.682 -0.482 1.00 0.00 H new ATOM 0 HG SER A 51 -2.373 -9.640 -2.264 1.00 0.00 H new ATOM 500 N SER A 52 2.351 -8.406 -0.161 1.00 0.00 N ATOM 501 CA SER A 52 3.688 -8.971 0.005 1.00 0.00 C ATOM 502 C SER A 52 3.637 -10.494 0.100 1.00 0.00 C ATOM 503 O SER A 52 4.491 -11.186 -0.454 1.00 0.00 O ATOM 504 CB SER A 52 4.371 -8.387 1.243 1.00 0.00 C ATOM 505 OG SER A 52 3.995 -7.036 1.444 1.00 0.00 O ATOM 0 H SER A 52 2.056 -7.785 0.593 1.00 0.00 H new ATOM 0 HA SER A 52 4.272 -8.705 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.105 -8.976 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.453 -8.454 1.130 1.00 0.00 H new ATOM 0 HG SER A 52 4.444 -6.687 2.242 1.00 0.00 H new ATOM 679 N GLU A 63 8.832 -6.556 7.208 1.00 0.00 N ATOM 680 CA GLU A 63 9.962 -7.088 6.456 1.00 0.00 C ATOM 681 C GLU A 63 9.985 -6.552 5.025 1.00 0.00 C ATOM 682 O GLU A 63 10.792 -5.684 4.691 1.00 0.00 O ATOM 683 CB GLU A 63 9.914 -8.619 6.444 1.00 0.00 C ATOM 684 CG GLU A 63 11.176 -9.270 6.984 1.00 0.00 C ATOM 685 CD GLU A 63 11.598 -10.482 6.176 1.00 0.00 C ATOM 686 OE1 GLU A 63 10.876 -11.501 6.214 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.649 -10.413 5.506 1.00 0.00 O ATOM 0 HA GLU A 63 10.876 -6.760 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.061 -8.952 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.747 -8.961 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.985 -8.540 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.012 -9.567 8.020 1.00 0.00 H new ATOM 694 N VAL A 64 9.105 -7.083 4.183 1.00 0.00 N ATOM 695 CA VAL A 64 9.033 -6.668 2.785 1.00 0.00 C ATOM 696 C VAL A 64 7.997 -5.570 2.566 1.00 0.00 C ATOM 697 O VAL A 64 7.976 -4.941 1.512 1.00 0.00 O ATOM 698 CB VAL A 64 8.689 -7.860 1.870 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.737 -7.451 0.405 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.628 -9.026 2.137 1.00 0.00 C ATOM 0 H VAL A 64 8.431 -7.802 4.444 1.00 0.00 H new ATOM 0 HA VAL A 64 10.018 -6.278 2.530 1.00 0.00 H new ATOM 0 HB VAL A 64 7.672 -8.181 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.491 -8.309 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.016 -6.653 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.738 -7.098 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.370 -9.858 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.655 -8.717 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.532 -9.339 3.177 1.00 0.00 H new ATOM 710 N ALA A 65 7.132 -5.349 3.557 1.00 0.00 N ATOM 711 CA ALA A 65 6.082 -4.333 3.458 1.00 0.00 C ATOM 712 C ALA A 65 6.493 -3.156 2.577 1.00 0.00 C ATOM 713 O ALA A 65 5.721 -2.702 1.742 1.00 0.00 O ATOM 714 CB ALA A 65 5.691 -3.843 4.836 1.00 0.00 C ATOM 0 H ALA A 65 7.138 -5.861 4.439 1.00 0.00 H new ATOM 0 HA ALA A 65 5.222 -4.807 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.910 -3.088 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.321 -4.680 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.561 -3.408 5.328 1.00 0.00 H new ATOM 720 N ARG A 66 7.716 -2.678 2.745 1.00 0.00 N ATOM 721 CA ARG A 66 8.200 -1.571 1.929 1.00 0.00 C ATOM 722 C ARG A 66 8.309 -2.015 0.496 1.00 0.00 C ATOM 723 O ARG A 66 7.641 -1.487 -0.390 1.00 0.00 O ATOM 724 CB ARG A 66 9.555 -1.090 2.410 1.00 0.00 C ATOM 725 CG ARG A 66 9.657 0.415 2.430 1.00 0.00 C ATOM 726 CD ARG A 66 10.819 0.903 1.604 1.00 0.00 C ATOM 727 NE ARG A 66 12.091 0.330 2.041 1.00 0.00 N ATOM 728 CZ ARG A 66 12.708 -0.681 1.429 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.170 -1.253 0.358 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.868 -1.124 1.893 1.00 0.00 N ATOM 0 H ARG A 66 8.385 -3.032 3.429 1.00 0.00 H new ATOM 0 HA ARG A 66 7.491 -0.747 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.740 -1.477 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.332 -1.496 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.732 0.848 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.771 0.759 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.650 0.650 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.873 1.990 1.664 1.00 0.00 H new ATOM 0 HE ARG A 66 12.535 0.730 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.277 -0.919 -0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.650 -2.026 -0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.287 -0.692 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.342 -1.897 1.427 1.00 0.00 H new ATOM 744 N GLN A 67 9.143 -3.015 0.284 1.00 0.00 N ATOM 745 CA GLN A 67 9.327 -3.579 -1.038 1.00 0.00 C ATOM 746 C GLN A 67 7.963 -3.849 -1.665 1.00 0.00 C ATOM 747 O GLN A 67 7.802 -3.792 -2.887 1.00 0.00 O ATOM 748 CB GLN A 67 10.143 -4.870 -0.957 1.00 0.00 C ATOM 749 CG GLN A 67 11.642 -4.653 -1.081 1.00 0.00 C ATOM 750 CD GLN A 67 12.444 -5.873 -0.671 1.00 0.00 C ATOM 751 OE1 GLN A 67 13.229 -5.825 0.275 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.250 -6.975 -1.386 1.00 0.00 N ATOM 0 H GLN A 67 9.705 -3.454 1.013 1.00 0.00 H new ATOM 0 HA GLN A 67 9.874 -2.870 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.933 -5.363 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.816 -5.546 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.884 -4.394 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.935 -3.805 -0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.589 -6.969 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.762 -7.827 -1.159 1.00 0.00 H new ATOM 761 N VAL A 68 6.963 -4.104 -0.816 1.00 0.00 N ATOM 762 CA VAL A 68 5.623 -4.337 -1.325 1.00 0.00 C ATOM 763 C VAL A 68 5.046 -3.028 -1.828 1.00 0.00 C ATOM 764 O VAL A 68 4.383 -2.986 -2.864 1.00 0.00 O ATOM 765 CB VAL A 68 4.669 -5.001 -0.292 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.894 -3.989 0.548 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.697 -5.909 -1.020 1.00 0.00 C ATOM 0 H VAL A 68 7.058 -4.152 0.198 1.00 0.00 H new ATOM 0 HA VAL A 68 5.708 -5.052 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 68 5.291 -5.571 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.247 -4.517 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.594 -3.363 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.287 -3.363 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.026 -6.377 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.114 -5.323 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.251 -6.681 -1.554 1.00 0.00 H new ATOM 777 N GLY A 69 5.338 -1.949 -1.103 1.00 0.00 N ATOM 778 CA GLY A 69 4.870 -0.651 -1.515 1.00 0.00 C ATOM 779 C GLY A 69 5.551 -0.229 -2.785 1.00 0.00 C ATOM 780 O GLY A 69 4.890 0.029 -3.771 1.00 0.00 O ATOM 0 H GLY A 69 5.888 -1.958 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.791 -0.677 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.065 0.079 -0.730 1.00 0.00 H new ATOM 784 N ARG A 70 6.885 -0.187 -2.775 1.00 0.00 N ATOM 785 CA ARG A 70 7.630 0.186 -3.973 1.00 0.00 C ATOM 786 C ARG A 70 7.046 -0.541 -5.172 1.00 0.00 C ATOM 787 O ARG A 70 6.964 0.013 -6.264 1.00 0.00 O ATOM 788 CB ARG A 70 9.125 -0.123 -3.814 1.00 0.00 C ATOM 789 CG ARG A 70 9.487 -1.584 -4.026 1.00 0.00 C ATOM 790 CD ARG A 70 9.989 -1.837 -5.438 1.00 0.00 C ATOM 791 NE ARG A 70 10.360 -3.235 -5.643 1.00 0.00 N ATOM 792 CZ ARG A 70 10.432 -3.819 -6.837 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.165 -3.128 -7.939 1.00 0.00 N ATOM 794 NH2 ARG A 70 10.774 -5.096 -6.930 1.00 0.00 N ATOM 0 H ARG A 70 7.462 -0.404 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 70 7.539 1.261 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.687 0.485 -4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.442 0.177 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.254 -1.877 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.614 -2.207 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.215 -1.558 -6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.851 -1.200 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 70 10.577 -3.798 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.903 -2.144 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.222 -3.581 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.982 -5.631 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.829 -5.544 -7.845 1.00 0.00 H new ATOM 808 N ALA A 71 6.600 -1.774 -4.941 1.00 0.00 N ATOM 809 CA ALA A 71 5.979 -2.560 -5.992 1.00 0.00 C ATOM 810 C ALA A 71 4.685 -1.894 -6.449 1.00 0.00 C ATOM 811 O ALA A 71 4.483 -1.671 -7.641 1.00 0.00 O ATOM 812 CB ALA A 71 5.701 -3.972 -5.506 1.00 0.00 C ATOM 0 H ALA A 71 6.659 -2.244 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 71 6.665 -2.615 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.236 -4.547 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.638 -4.448 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.030 -3.936 -4.648 1.00 0.00 H new ATOM 818 N LEU A 72 3.825 -1.547 -5.484 1.00 0.00 N ATOM 819 CA LEU A 72 2.565 -0.877 -5.783 1.00 0.00 C ATOM 820 C LEU A 72 2.863 0.462 -6.409 1.00 0.00 C ATOM 821 O LEU A 72 2.381 0.790 -7.489 1.00 0.00 O ATOM 822 CB LEU A 72 1.748 -0.663 -4.508 1.00 0.00 C ATOM 823 CG LEU A 72 1.162 -1.931 -3.892 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.525 -2.026 -2.418 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.349 -1.963 -4.072 1.00 0.00 C ATOM 0 H LEU A 72 3.983 -1.721 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 72 1.987 -1.500 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.382 -0.177 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.932 0.025 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 72 1.589 -2.792 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.099 -2.936 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.609 -2.050 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.127 -1.160 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.749 -2.874 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.792 -1.095 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.589 -1.943 -5.135 1.00 0.00 H new ATOM 837 N ALA A 73 3.695 1.218 -5.716 1.00 0.00 N ATOM 838 CA ALA A 73 4.119 2.523 -6.179 1.00 0.00 C ATOM 839 C ALA A 73 4.683 2.419 -7.579 1.00 0.00 C ATOM 840 O ALA A 73 4.612 3.364 -8.357 1.00 0.00 O ATOM 841 CB ALA A 73 5.138 3.121 -5.220 1.00 0.00 C ATOM 0 H ALA A 73 4.094 0.944 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 73 3.255 3.188 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.447 4.102 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.691 3.224 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.008 2.467 -5.159 1.00 0.00 H new ATOM 847 N GLU A 74 5.210 1.249 -7.903 1.00 0.00 N ATOM 848 CA GLU A 74 5.747 1.003 -9.217 1.00 0.00 C ATOM 849 C GLU A 74 4.595 0.819 -10.202 1.00 0.00 C ATOM 850 O GLU A 74 4.684 1.205 -11.367 1.00 0.00 O ATOM 851 CB GLU A 74 6.632 -0.233 -9.173 1.00 0.00 C ATOM 852 CG GLU A 74 7.904 -0.088 -9.981 1.00 0.00 C ATOM 853 CD GLU A 74 8.510 -1.424 -10.368 1.00 0.00 C ATOM 854 OE1 GLU A 74 7.798 -2.240 -10.991 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.695 -1.653 -10.049 1.00 0.00 O ATOM 0 H GLU A 74 5.274 0.456 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 74 6.352 1.848 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.891 -0.449 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.068 -1.088 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.692 0.485 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.632 0.483 -9.405 1.00 0.00 H new ATOM 862 N LYS A 75 3.501 0.248 -9.700 1.00 0.00 N ATOM 863 CA LYS A 75 2.299 0.030 -10.498 1.00 0.00 C ATOM 864 C LYS A 75 1.544 1.336 -10.659 1.00 0.00 C ATOM 865 O LYS A 75 1.397 1.855 -11.765 1.00 0.00 O ATOM 866 CB LYS A 75 1.381 -0.982 -9.822 1.00 0.00 C ATOM 867 CG LYS A 75 2.116 -2.106 -9.134 1.00 0.00 C ATOM 868 CD LYS A 75 1.155 -3.152 -8.600 1.00 0.00 C ATOM 869 CE LYS A 75 1.850 -4.122 -7.659 1.00 0.00 C ATOM 870 NZ LYS A 75 2.901 -4.915 -8.354 1.00 0.00 N ATOM 0 H LYS A 75 3.424 -0.074 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 75 2.603 -0.352 -11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.761 -0.464 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.708 -1.404 -10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.810 -2.571 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.712 -1.705 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.335 -2.660 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.717 -3.703 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.299 -3.569 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.113 -4.798 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.304 -5.611 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.482 -5.410 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.653 -4.278 -8.687 1.00 0.00 H new ATOM 884 N ALA A 76 1.074 1.864 -9.530 1.00 0.00 N ATOM 885 CA ALA A 76 0.338 3.125 -9.517 1.00 0.00 C ATOM 886 C ALA A 76 1.056 4.148 -10.378 1.00 0.00 C ATOM 887 O ALA A 76 0.445 4.870 -11.168 1.00 0.00 O ATOM 888 CB ALA A 76 0.194 3.656 -8.098 1.00 0.00 C ATOM 0 H ALA A 76 1.191 1.436 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.659 2.945 -9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.358 4.596 -8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.346 2.930 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.182 3.823 -7.670 1.00 0.00 H new ATOM 894 N LEU A 77 2.371 4.179 -10.228 1.00 0.00 N ATOM 895 CA LEU A 77 3.207 5.078 -10.995 1.00 0.00 C ATOM 896 C LEU A 77 2.996 4.877 -12.489 1.00 0.00 C ATOM 897 O LEU A 77 2.953 5.837 -13.258 1.00 0.00 O ATOM 898 CB LEU A 77 4.673 4.849 -10.647 1.00 0.00 C ATOM 899 CG LEU A 77 5.237 5.737 -9.542 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.700 5.402 -9.299 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.076 7.205 -9.906 1.00 0.00 C ATOM 0 H LEU A 77 2.882 3.585 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 77 2.929 6.101 -10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.799 3.808 -10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.269 4.998 -11.547 1.00 0.00 H new ATOM 0 HG LEU A 77 4.681 5.551 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.093 6.041 -8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.789 4.358 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.268 5.566 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.483 7.825 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.611 7.411 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.018 7.433 -10.039 1.00 0.00 H new ATOM 913 N ALA A 78 2.861 3.619 -12.887 1.00 0.00 N ATOM 914 CA ALA A 78 2.648 3.275 -14.284 1.00 0.00 C ATOM 915 C ALA A 78 1.458 4.039 -14.859 1.00 0.00 C ATOM 916 O ALA A 78 1.384 4.280 -16.064 1.00 0.00 O ATOM 917 CB ALA A 78 2.458 1.778 -14.417 1.00 0.00 C ATOM 0 H ALA A 78 2.896 2.817 -12.258 1.00 0.00 H new ATOM 0 HA ALA A 78 3.527 3.566 -14.859 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.299 1.523 -15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.347 1.264 -14.050 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.592 1.468 -13.832 1.00 0.00 H new ATOM 923 N LEU A 79 0.548 4.450 -13.980 1.00 0.00 N ATOM 924 CA LEU A 79 -0.614 5.224 -14.383 1.00 0.00 C ATOM 925 C LEU A 79 -0.260 6.702 -14.334 1.00 0.00 C ATOM 926 O LEU A 79 -0.827 7.524 -15.054 1.00 0.00 O ATOM 927 CB LEU A 79 -1.805 4.975 -13.444 1.00 0.00 C ATOM 928 CG LEU A 79 -1.778 3.690 -12.613 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.340 3.962 -11.227 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.569 2.590 -13.306 1.00 0.00 C ATOM 0 H LEU A 79 0.597 4.257 -12.980 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.896 4.920 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.879 5.820 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.715 4.971 -14.044 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.746 3.354 -12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.319 3.044 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.737 4.724 -10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.368 4.313 -11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.539 1.684 -12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.604 2.909 -13.430 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.132 2.388 -14.284 1.00 0.00 H new ATOM 942 N GLY A 80 0.677 7.021 -13.449 1.00 0.00 N ATOM 943 CA GLY A 80 1.113 8.383 -13.261 1.00 0.00 C ATOM 944 C GLY A 80 0.645 8.930 -11.930 1.00 0.00 C ATOM 945 O GLY A 80 0.679 10.138 -11.697 1.00 0.00 O ATOM 0 H GLY A 80 1.148 6.343 -12.850 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.201 8.430 -13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.728 9.005 -14.068 1.00 0.00 H new ATOM 949 N ILE A 81 0.206 8.029 -11.050 1.00 0.00 N ATOM 950 CA ILE A 81 -0.270 8.418 -9.734 1.00 0.00 C ATOM 951 C ILE A 81 0.883 8.933 -8.893 1.00 0.00 C ATOM 952 O ILE A 81 1.789 8.187 -8.519 1.00 0.00 O ATOM 953 CB ILE A 81 -0.998 7.246 -9.029 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.396 7.024 -9.637 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.117 7.496 -7.529 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.620 7.695 -10.979 1.00 0.00 C ATOM 0 H ILE A 81 0.173 7.026 -11.231 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.996 9.222 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.401 6.347 -9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.562 5.953 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.145 7.390 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.632 6.658 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.121 7.598 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.683 8.412 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.631 7.483 -11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.491 8.772 -10.873 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.899 7.313 -11.702 1.00 0.00 H new ATOM 968 N LYS A 82 0.846 10.229 -8.632 1.00 0.00 N ATOM 969 CA LYS A 82 1.874 10.892 -7.879 1.00 0.00 C ATOM 970 C LYS A 82 1.504 11.019 -6.408 1.00 0.00 C ATOM 971 O LYS A 82 2.230 10.556 -5.532 1.00 0.00 O ATOM 972 CB LYS A 82 2.094 12.268 -8.480 1.00 0.00 C ATOM 973 CG LYS A 82 3.354 12.898 -7.987 1.00 0.00 C ATOM 974 CD LYS A 82 3.913 13.909 -8.975 1.00 0.00 C ATOM 975 CE LYS A 82 2.929 15.039 -9.235 1.00 0.00 C ATOM 976 NZ LYS A 82 2.582 15.773 -7.986 1.00 0.00 N ATOM 0 H LYS A 82 0.095 10.845 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 82 2.787 10.299 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.130 12.188 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.248 12.910 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.163 13.391 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.098 12.123 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.846 14.320 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.150 13.409 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.357 15.734 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.021 14.634 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.078 16.650 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.973 15.176 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.453 16.006 -7.467 1.00 0.00 H new ATOM 990 N GLN A 83 0.373 11.656 -6.149 1.00 0.00 N ATOM 991 CA GLN A 83 -0.104 11.855 -4.789 1.00 0.00 C ATOM 992 C GLN A 83 -1.347 11.016 -4.539 1.00 0.00 C ATOM 993 O GLN A 83 -2.129 10.768 -5.457 1.00 0.00 O ATOM 994 CB GLN A 83 -0.412 13.335 -4.544 1.00 0.00 C ATOM 995 CG GLN A 83 0.532 13.991 -3.553 1.00 0.00 C ATOM 996 CD GLN A 83 -0.197 14.795 -2.494 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.178 15.481 -2.784 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.280 14.714 -1.258 1.00 0.00 N ATOM 0 H GLN A 83 -0.236 12.047 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 83 0.678 11.541 -4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.362 13.871 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.434 13.430 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.135 13.223 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.219 14.644 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.095 14.133 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.169 15.233 -0.503 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.528 10.575 -3.302 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.687 9.759 -2.968 1.00 0.00 C ATOM 1009 C VAL A 84 -3.384 10.241 -1.704 1.00 0.00 C ATOM 1010 O VAL A 84 -2.826 10.996 -0.908 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.329 8.265 -2.773 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.357 7.378 -3.444 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.947 7.942 -3.301 1.00 0.00 C ATOM 0 H VAL A 84 -0.897 10.765 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.356 9.862 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.332 8.071 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.088 6.332 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.339 7.565 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.386 7.597 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.736 6.884 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.903 8.167 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.206 8.542 -2.773 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.600 9.750 -1.524 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.406 10.057 -0.358 1.00 0.00 C ATOM 1025 C ALA A 85 -5.460 8.817 0.512 1.00 0.00 C ATOM 1026 O ALA A 85 -6.339 7.973 0.351 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.808 10.484 -0.772 1.00 0.00 C ATOM 0 H ALA A 85 -5.056 9.124 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.964 10.885 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.397 10.710 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.747 11.371 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.285 9.677 -1.328 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.485 8.678 1.395 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.408 7.499 2.236 1.00 0.00 C ATOM 1035 C PHE A 86 -5.331 7.575 3.441 1.00 0.00 C ATOM 1036 O PHE A 86 -5.130 8.378 4.352 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.976 7.257 2.690 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.768 5.850 3.129 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -3.188 5.445 4.382 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.188 4.924 2.278 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -3.037 4.139 4.786 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.027 3.612 2.682 1.00 0.00 C ATOM 1043 CZ PHE A 86 -2.456 3.223 3.939 1.00 0.00 C ATOM 0 H PHE A 86 -3.743 9.361 1.546 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.743 6.660 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.291 7.489 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.735 7.933 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.640 6.162 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.860 5.228 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.374 3.833 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.568 2.893 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.334 2.198 4.256 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.344 6.714 3.432 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.312 6.651 4.516 1.00 0.00 C ATOM 1055 C ASP A 87 -7.881 5.244 4.657 1.00 0.00 C ATOM 1056 O ASP A 87 -8.634 4.784 3.798 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.444 7.644 4.262 1.00 0.00 C ATOM 1058 CG ASP A 87 -8.537 8.707 5.339 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.085 8.409 6.421 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -8.063 9.837 5.099 1.00 0.00 O ATOM 0 H ASP A 87 -6.514 6.047 2.679 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.803 6.911 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.292 8.124 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.390 7.105 4.205 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.536 4.565 5.746 1.00 0.00 N ATOM 1066 CA ARG A 88 -8.042 3.219 5.980 1.00 0.00 C ATOM 1067 C ARG A 88 -9.212 3.238 6.959 1.00 0.00 C ATOM 1068 O ARG A 88 -10.010 2.302 7.007 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.946 2.297 6.508 1.00 0.00 C ATOM 1070 CG ARG A 88 -7.015 0.901 5.916 1.00 0.00 C ATOM 1071 CD ARG A 88 -6.887 0.942 4.402 1.00 0.00 C ATOM 1072 NE ARG A 88 -7.370 -0.285 3.771 1.00 0.00 N ATOM 1073 CZ ARG A 88 -8.644 -0.506 3.452 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -9.570 0.411 3.705 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -8.993 -1.649 2.878 1.00 0.00 N ATOM 0 H ARG A 88 -6.915 4.920 6.473 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.388 2.834 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.972 2.733 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.025 2.231 7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.219 0.285 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.959 0.432 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.449 1.792 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.843 1.100 4.132 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.690 -1.016 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.308 1.292 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.544 0.234 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.286 -2.358 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.968 -1.820 2.633 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.302 4.307 7.747 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.368 4.425 8.723 1.00 0.00 C ATOM 1091 C GLY A 89 -9.848 4.304 10.143 1.00 0.00 C ATOM 1092 O GLY A 89 -9.346 5.278 10.705 1.00 0.00 O ATOM 0 H GLY A 89 -8.653 5.094 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.869 5.385 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.114 3.651 8.542 1.00 0.00 H new ATOM 1096 N PRO A 90 -9.946 3.110 10.752 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.474 2.873 12.110 1.00 0.00 C ATOM 1098 C PRO A 90 -8.012 2.431 12.144 1.00 0.00 C ATOM 1099 O PRO A 90 -7.617 1.627 12.989 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.384 1.741 12.572 1.00 0.00 C ATOM 1101 CG PRO A 90 -10.646 0.941 11.337 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.526 1.889 10.163 1.00 0.00 C ATOM 0 HA PRO A 90 -9.511 3.766 12.733 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.905 1.136 13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.310 2.126 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.930 0.124 11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.639 0.493 11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.886 1.479 9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.497 2.087 9.708 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.216 2.953 11.215 1.00 0.00 N ATOM 1111 CA TYR A 91 -5.803 2.605 11.134 1.00 0.00 C ATOM 1112 C TYR A 91 -4.929 3.680 11.771 1.00 0.00 C ATOM 1113 O TYR A 91 -5.128 4.874 11.547 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.389 2.404 9.674 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.552 0.983 9.185 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -6.754 0.306 9.346 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.504 0.319 8.561 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -6.907 -0.993 8.900 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -4.649 -0.980 8.110 1.00 0.00 C ATOM 1120 CZ TYR A 91 -5.852 -1.631 8.282 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.000 -2.925 7.836 1.00 0.00 O ATOM 0 H TYR A 91 -7.527 3.619 10.508 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.659 1.675 11.684 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.982 3.066 9.043 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.347 2.702 9.557 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.583 0.803 9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.560 0.826 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.848 -1.506 9.035 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.824 -1.482 7.626 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.777 -2.979 7.241 1.00 0.00 H new ATOM 1131 N LYS A 92 -3.953 3.242 12.557 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.030 4.152 13.224 1.00 0.00 C ATOM 1133 C LYS A 92 -1.594 3.684 13.019 1.00 0.00 C ATOM 1134 O LYS A 92 -1.351 2.498 12.793 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.350 4.237 14.718 1.00 0.00 C ATOM 1136 CG LYS A 92 -2.388 5.117 15.501 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.504 6.576 15.087 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.201 7.325 15.319 1.00 0.00 C ATOM 1139 NZ LYS A 92 -1.280 8.735 14.845 1.00 0.00 N ATOM 0 H LYS A 92 -3.780 2.255 12.749 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.143 5.145 12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.363 4.621 14.842 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.336 3.233 15.141 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.593 5.023 16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.366 4.773 15.341 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.777 6.636 14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.305 7.053 15.652 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.959 7.312 16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.390 6.813 14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.373 9.212 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.486 8.748 13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.037 9.232 15.357 1.00 0.00 H new ATOM 1153 N TYR A 93 -0.643 4.614 13.093 1.00 0.00 N ATOM 1154 CA TYR A 93 0.768 4.277 12.909 1.00 0.00 C ATOM 1155 C TYR A 93 1.130 3.041 13.729 1.00 0.00 C ATOM 1156 O TYR A 93 1.370 3.127 14.934 1.00 0.00 O ATOM 1157 CB TYR A 93 1.657 5.456 13.308 1.00 0.00 C ATOM 1158 CG TYR A 93 2.947 5.528 12.523 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.939 5.434 11.136 1.00 0.00 C ATOM 1160 CD2 TYR A 93 4.168 5.693 13.163 1.00 0.00 C ATOM 1161 CE1 TYR A 93 4.112 5.501 10.409 1.00 0.00 C ATOM 1162 CE2 TYR A 93 5.346 5.761 12.443 1.00 0.00 C ATOM 1163 CZ TYR A 93 5.313 5.665 11.067 1.00 0.00 C ATOM 1164 OH TYR A 93 6.483 5.734 10.347 1.00 0.00 O ATOM 0 H TYR A 93 -0.822 5.601 13.278 1.00 0.00 H new ATOM 0 HA TYR A 93 0.935 4.058 11.854 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.102 6.384 13.167 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.890 5.382 14.370 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.000 5.306 10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.198 5.769 14.240 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.089 5.425 9.332 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.288 5.889 12.955 1.00 0.00 H new ATOM 0 HH TYR A 93 7.238 5.852 10.960 1.00 0.00 H new ATOM 1174 N HIS A 94 1.138 1.889 13.068 1.00 0.00 N ATOM 1175 CA HIS A 94 1.436 0.622 13.732 1.00 0.00 C ATOM 1176 C HIS A 94 2.845 0.111 13.387 1.00 0.00 C ATOM 1177 O HIS A 94 3.830 0.567 13.967 1.00 0.00 O ATOM 1178 CB HIS A 94 0.363 -0.413 13.364 1.00 0.00 C ATOM 1179 CG HIS A 94 0.117 -1.429 14.435 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -1.047 -1.479 15.173 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.894 -2.440 14.892 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -0.976 -2.476 16.037 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.191 -3.075 15.887 1.00 0.00 N ATOM 0 H HIS A 94 0.941 1.805 12.071 1.00 0.00 H new ATOM 0 HA HIS A 94 1.420 0.785 14.810 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.570 0.106 13.146 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.663 -0.926 12.450 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.882 -2.699 14.540 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.742 -2.754 16.746 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.518 -3.879 16.423 1.00 0.00 H new ATOM 1192 N GLY A 95 2.939 -0.836 12.450 1.00 0.00 N ATOM 1193 CA GLY A 95 4.229 -1.381 12.064 1.00 0.00 C ATOM 1194 C GLY A 95 4.321 -1.669 10.574 1.00 0.00 C ATOM 1195 O GLY A 95 5.398 -1.590 9.986 1.00 0.00 O ATOM 0 H GLY A 95 2.142 -1.234 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.014 -0.678 12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.412 -2.301 12.620 1.00 0.00 H new ATOM 1199 N ARG A 96 3.188 -2.014 9.965 1.00 0.00 N ATOM 1200 CA ARG A 96 3.148 -2.329 8.540 1.00 0.00 C ATOM 1201 C ARG A 96 2.976 -1.073 7.677 1.00 0.00 C ATOM 1202 O ARG A 96 3.906 -0.666 6.981 1.00 0.00 O ATOM 1203 CB ARG A 96 2.014 -3.318 8.255 1.00 0.00 C ATOM 1204 CG ARG A 96 1.810 -4.365 9.345 1.00 0.00 C ATOM 1205 CD ARG A 96 2.384 -5.717 8.945 1.00 0.00 C ATOM 1206 NE ARG A 96 2.727 -6.537 10.108 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.975 -7.540 10.566 1.00 0.00 C ATOM 1208 NH1 ARG A 96 0.827 -7.848 9.977 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.373 -8.238 11.622 1.00 0.00 N ATOM 0 H ARG A 96 2.286 -2.082 10.437 1.00 0.00 H new ATOM 0 HA ARG A 96 4.105 -2.780 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.086 -2.762 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.218 -3.826 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.284 -4.027 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.745 -4.470 9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.660 -6.249 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.274 -5.566 8.334 1.00 0.00 H new ATOM 0 HE ARG A 96 3.596 -6.329 10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.511 -7.316 9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.260 -8.617 10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.253 -8.008 12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.799 -9.005 11.973 1.00 0.00 H new ATOM 1223 N VAL A 97 1.777 -0.477 7.715 1.00 0.00 N ATOM 1224 CA VAL A 97 1.460 0.722 6.931 1.00 0.00 C ATOM 1225 C VAL A 97 2.660 1.639 6.752 1.00 0.00 C ATOM 1226 O VAL A 97 2.807 2.256 5.714 1.00 0.00 O ATOM 1227 CB VAL A 97 0.314 1.531 7.569 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -0.038 2.743 6.722 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.900 0.649 7.767 1.00 0.00 C ATOM 0 H VAL A 97 1.003 -0.812 8.288 1.00 0.00 H new ATOM 0 HA VAL A 97 1.152 0.356 5.952 1.00 0.00 H new ATOM 0 HB VAL A 97 0.650 1.890 8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.849 3.295 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.835 3.389 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.353 2.415 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.703 1.231 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.230 0.262 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.642 -0.183 8.423 1.00 0.00 H new ATOM 1239 N LYS A 98 3.517 1.726 7.755 1.00 0.00 N ATOM 1240 CA LYS A 98 4.696 2.577 7.650 1.00 0.00 C ATOM 1241 C LYS A 98 5.582 2.082 6.516 1.00 0.00 C ATOM 1242 O LYS A 98 5.627 2.662 5.430 1.00 0.00 O ATOM 1243 CB LYS A 98 5.498 2.644 8.956 1.00 0.00 C ATOM 1244 CG LYS A 98 5.311 1.458 9.882 1.00 0.00 C ATOM 1245 CD LYS A 98 4.469 1.831 11.091 1.00 0.00 C ATOM 1246 CE LYS A 98 3.047 2.162 10.687 1.00 0.00 C ATOM 1247 NZ LYS A 98 2.242 0.936 10.425 1.00 0.00 N ATOM 0 H LYS A 98 3.424 1.227 8.640 1.00 0.00 H new ATOM 0 HA LYS A 98 4.349 3.589 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.557 2.732 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.218 3.552 9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.832 0.642 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.284 1.094 10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.465 1.006 11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.915 2.687 11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.572 2.746 11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.060 2.785 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.435 1.175 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.836 0.225 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.893 0.551 11.326 1.00 0.00 H new ATOM 1261 N ALA A 99 6.294 0.988 6.806 1.00 0.00 N ATOM 1262 CA ALA A 99 7.206 0.362 5.857 1.00 0.00 C ATOM 1263 C ALA A 99 6.581 0.236 4.479 1.00 0.00 C ATOM 1264 O ALA A 99 7.215 0.542 3.475 1.00 0.00 O ATOM 1265 CB ALA A 99 7.635 -1.007 6.361 1.00 0.00 C ATOM 0 H ALA A 99 6.250 0.515 7.708 1.00 0.00 H new ATOM 0 HA ALA A 99 8.082 1.004 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.316 -1.462 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.140 -0.899 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.757 -1.642 6.482 1.00 0.00 H new ATOM 1271 N LEU A 100 5.328 -0.198 4.427 1.00 0.00 N ATOM 1272 CA LEU A 100 4.637 -0.342 3.165 1.00 0.00 C ATOM 1273 C LEU A 100 4.384 1.019 2.548 1.00 0.00 C ATOM 1274 O LEU A 100 4.661 1.248 1.371 1.00 0.00 O ATOM 1275 CB LEU A 100 3.311 -1.070 3.374 1.00 0.00 C ATOM 1276 CG LEU A 100 2.263 -0.792 2.303 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.420 -2.027 2.049 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.390 0.395 2.699 1.00 0.00 C ATOM 0 H LEU A 100 4.776 -0.454 5.245 1.00 0.00 H new ATOM 0 HA LEU A 100 5.262 -0.926 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.501 -2.143 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.904 -0.787 4.345 1.00 0.00 H new ATOM 0 HG LEU A 100 2.777 -0.537 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.677 -1.809 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.061 -2.842 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.915 -2.319 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.648 0.577 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.884 0.177 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.013 1.281 2.820 1.00 0.00 H new ATOM 1290 N ALA A 101 3.844 1.915 3.356 1.00 0.00 N ATOM 1291 CA ALA A 101 3.536 3.258 2.898 1.00 0.00 C ATOM 1292 C ALA A 101 4.776 3.921 2.322 1.00 0.00 C ATOM 1293 O ALA A 101 4.684 4.684 1.360 1.00 0.00 O ATOM 1294 CB ALA A 101 2.916 4.082 4.014 1.00 0.00 C ATOM 0 H ALA A 101 3.610 1.736 4.333 1.00 0.00 H new ATOM 0 HA ALA A 101 2.797 3.194 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.694 5.084 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.994 3.606 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.614 4.148 4.849 1.00 0.00 H new ATOM 1300 N GLU A 102 5.952 3.590 2.865 1.00 0.00 N ATOM 1301 CA GLU A 102 7.181 4.139 2.313 1.00 0.00 C ATOM 1302 C GLU A 102 7.376 3.521 0.946 1.00 0.00 C ATOM 1303 O GLU A 102 7.692 4.208 -0.005 1.00 0.00 O ATOM 1304 CB GLU A 102 8.424 3.900 3.188 1.00 0.00 C ATOM 1305 CG GLU A 102 8.138 3.316 4.568 1.00 0.00 C ATOM 1306 CD GLU A 102 9.402 3.086 5.374 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.489 3.003 4.764 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.304 2.988 6.615 1.00 0.00 O ATOM 0 H GLU A 102 6.073 2.964 3.661 1.00 0.00 H new ATOM 0 HA GLU A 102 7.075 5.223 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.099 3.228 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.950 4.847 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.480 3.991 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.605 2.372 4.456 1.00 0.00 H new ATOM 1315 N GLY A 103 7.117 2.218 0.843 1.00 0.00 N ATOM 1316 CA GLY A 103 7.213 1.546 -0.442 1.00 0.00 C ATOM 1317 C GLY A 103 6.466 2.317 -1.498 1.00 0.00 C ATOM 1318 O GLY A 103 7.013 2.719 -2.524 1.00 0.00 O ATOM 0 H GLY A 103 6.844 1.619 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.260 1.445 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.806 0.538 -0.363 1.00 0.00 H new ATOM 1322 N ALA A 104 5.183 2.505 -1.208 1.00 0.00 N ATOM 1323 CA ALA A 104 4.277 3.218 -2.085 1.00 0.00 C ATOM 1324 C ALA A 104 4.715 4.663 -2.262 1.00 0.00 C ATOM 1325 O ALA A 104 4.560 5.241 -3.332 1.00 0.00 O ATOM 1326 CB ALA A 104 2.863 3.153 -1.534 1.00 0.00 C ATOM 0 H ALA A 104 4.745 2.163 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 104 4.297 2.740 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.188 3.692 -2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.548 2.112 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.837 3.609 -0.544 1.00 0.00 H new ATOM 1332 N ARG A 105 5.275 5.251 -1.210 1.00 0.00 N ATOM 1333 CA ARG A 105 5.736 6.633 -1.278 1.00 0.00 C ATOM 1334 C ARG A 105 7.179 6.702 -1.775 1.00 0.00 C ATOM 1335 O ARG A 105 7.597 7.695 -2.370 1.00 0.00 O ATOM 1336 CB ARG A 105 5.581 7.318 0.090 1.00 0.00 C ATOM 1337 CG ARG A 105 6.389 8.600 0.263 1.00 0.00 C ATOM 1338 CD ARG A 105 5.490 9.827 0.327 1.00 0.00 C ATOM 1339 NE ARG A 105 5.549 10.482 1.632 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.058 11.695 1.874 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.474 12.388 0.904 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.152 12.218 3.090 1.00 0.00 N ATOM 0 H ARG A 105 5.420 4.797 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 105 5.116 7.170 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.527 7.546 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 105 5.875 6.613 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.983 8.536 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.089 8.704 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.787 10.534 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.462 9.534 0.114 1.00 0.00 H new ATOM 0 HE ARG A 105 5.992 9.981 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.400 11.991 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.099 13.317 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.601 11.690 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.776 13.148 3.276 1.00 0.00 H new ATOM 1356 N GLU A 106 7.929 5.635 -1.542 1.00 0.00 N ATOM 1357 CA GLU A 106 9.312 5.561 -1.972 1.00 0.00 C ATOM 1358 C GLU A 106 9.342 5.251 -3.464 1.00 0.00 C ATOM 1359 O GLU A 106 10.186 5.755 -4.206 1.00 0.00 O ATOM 1360 CB GLU A 106 10.061 4.476 -1.172 1.00 0.00 C ATOM 1361 CG GLU A 106 10.056 3.100 -1.820 1.00 0.00 C ATOM 1362 CD GLU A 106 11.050 2.152 -1.179 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.811 2.597 -0.294 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.072 0.965 -1.565 1.00 0.00 O ATOM 0 H GLU A 106 7.597 4.804 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 106 9.811 6.513 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.094 4.794 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.614 4.399 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.055 2.673 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.287 3.201 -2.880 1.00 0.00 H new ATOM 1371 N GLY A 107 8.392 4.417 -3.891 1.00 0.00 N ATOM 1372 CA GLY A 107 8.296 4.046 -5.288 1.00 0.00 C ATOM 1373 C GLY A 107 7.852 5.219 -6.154 1.00 0.00 C ATOM 1374 O GLY A 107 8.424 5.449 -7.219 1.00 0.00 O ATOM 0 H GLY A 107 7.687 3.993 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.263 3.683 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.589 3.224 -5.398 1.00 0.00 H new ATOM 1378 N GLY A 108 6.845 5.979 -5.696 1.00 0.00 N ATOM 1379 CA GLY A 108 6.388 7.128 -6.470 1.00 0.00 C ATOM 1380 C GLY A 108 5.226 7.902 -5.848 1.00 0.00 C ATOM 1381 O GLY A 108 5.102 9.107 -6.068 1.00 0.00 O ATOM 0 H GLY A 108 6.348 5.821 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.227 7.810 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.088 6.785 -7.460 1.00 0.00 H new ATOM 1385 N LEU A 109 4.355 7.218 -5.112 1.00 0.00 N ATOM 1386 CA LEU A 109 3.185 7.854 -4.511 1.00 0.00 C ATOM 1387 C LEU A 109 3.520 8.779 -3.352 1.00 0.00 C ATOM 1388 O LEU A 109 4.491 8.586 -2.630 1.00 0.00 O ATOM 1389 CB LEU A 109 2.207 6.787 -4.029 1.00 0.00 C ATOM 1390 CG LEU A 109 1.456 6.095 -5.148 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.428 5.406 -6.078 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.436 5.111 -4.595 1.00 0.00 C ATOM 0 H LEU A 109 4.437 6.220 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 109 2.740 8.470 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.754 6.039 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.488 7.247 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 109 0.910 6.848 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.878 4.912 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.107 6.143 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.001 4.665 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.089 4.629 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.946 4.355 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.282 5.643 -3.971 1.00 0.00 H new ATOM 1404 N GLU A 110 2.673 9.780 -3.178 1.00 0.00 N ATOM 1405 CA GLU A 110 2.818 10.742 -2.097 1.00 0.00 C ATOM 1406 C GLU A 110 1.508 10.871 -1.330 1.00 0.00 C ATOM 1407 O GLU A 110 0.608 11.605 -1.736 1.00 0.00 O ATOM 1408 CB GLU A 110 3.273 12.095 -2.631 1.00 0.00 C ATOM 1409 CG GLU A 110 4.786 12.235 -2.665 1.00 0.00 C ATOM 1410 CD GLU A 110 5.342 12.236 -4.075 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.816 11.483 -4.921 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.304 12.990 -4.333 1.00 0.00 O ATOM 0 H GLU A 110 1.867 9.949 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 110 3.585 10.381 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.877 12.236 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.853 12.886 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.072 13.160 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.235 11.417 -2.102 1.00 0.00 H new ATOM 1419 N PHE A 111 1.396 10.137 -0.233 1.00 0.00 N ATOM 1420 CA PHE A 111 0.183 10.154 0.573 1.00 0.00 C ATOM 1421 C PHE A 111 0.512 10.289 2.056 1.00 0.00 C ATOM 1422 O PHE A 111 1.359 9.512 2.547 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.611 8.871 0.323 1.00 0.00 C ATOM 1424 CG PHE A 111 0.245 7.640 0.373 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.103 7.338 -0.671 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.212 6.800 1.474 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.914 6.223 -0.618 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.016 5.679 1.531 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.870 5.392 0.484 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.078 11.171 2.715 1.00 0.00 O ATOM 0 H PHE A 111 2.129 9.522 0.120 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.417 11.017 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.403 8.788 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.095 8.932 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.138 7.983 -1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.450 7.025 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.582 6.001 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.977 5.028 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.503 4.518 0.527 1.00 0.00 H new