USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 131:sc= 1.25 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 2 GLN : amide:sc= 0.889 K(o=0.89,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.3 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00737 USER MOD Single : A 25 ASN : amide:sc= -0.0395 K(o=-0.039,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.748 K(o=0.75,f=-6.3!) USER MOD Single : A 41 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -93:sc= 0.168 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 48:sc= -0.192 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.925 K(o=-0.93,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.366 -8.657 -2.222 1.00 0.00 N ATOM 19 CA GLN A 2 7.943 -8.378 -2.301 1.00 0.00 C ATOM 20 C GLN A 2 7.470 -7.822 -0.964 1.00 0.00 C ATOM 21 O GLN A 2 8.255 -7.710 -0.026 1.00 0.00 O ATOM 22 CB GLN A 2 7.189 -9.661 -2.652 1.00 0.00 C ATOM 23 CG GLN A 2 7.408 -10.006 -4.124 1.00 0.00 C ATOM 24 CD GLN A 2 6.698 -11.301 -4.497 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.471 -12.157 -3.646 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.362 -11.451 -5.779 1.00 0.00 N ATOM 0 HA GLN A 2 7.748 -7.640 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.535 -10.480 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.125 -9.534 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.040 -9.193 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.475 -10.103 -4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.571 -10.712 -6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.896 -12.304 -6.088 1.00 0.00 H new ATOM 35 N ILE A 3 6.190 -7.451 -0.888 1.00 0.00 N ATOM 36 CA ILE A 3 5.597 -6.942 0.334 1.00 0.00 C ATOM 37 C ILE A 3 4.176 -7.483 0.460 1.00 0.00 C ATOM 38 O ILE A 3 3.684 -8.146 -0.450 1.00 0.00 O ATOM 39 CB ILE A 3 5.614 -5.410 0.321 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.798 -4.887 -0.863 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.058 -4.919 0.223 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.736 -3.361 -0.838 1.00 0.00 C ATOM 0 H ILE A 3 5.543 -7.498 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 3 6.172 -7.273 1.198 1.00 0.00 H new ATOM 0 HB ILE A 3 5.169 -5.036 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.246 -5.223 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.789 -5.298 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.072 -3.829 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.625 -5.282 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.509 -5.295 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.152 -3.007 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.266 -3.031 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.746 -2.955 -0.897 1.00 0.00 H new ATOM 54 N PHE A 4 3.511 -7.187 1.580 1.00 0.00 N ATOM 55 CA PHE A 4 2.172 -7.692 1.824 1.00 0.00 C ATOM 56 C PHE A 4 1.272 -6.573 2.326 1.00 0.00 C ATOM 57 O PHE A 4 1.435 -6.095 3.447 1.00 0.00 O ATOM 58 CB PHE A 4 2.239 -8.831 2.839 1.00 0.00 C ATOM 59 CG PHE A 4 2.972 -10.047 2.324 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.273 -11.048 1.637 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.353 -10.171 2.527 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.955 -12.170 1.148 1.00 0.00 C ATOM 63 CE2 PHE A 4 5.035 -11.291 2.036 1.00 0.00 C ATOM 64 CZ PHE A 4 4.337 -12.289 1.345 1.00 0.00 C ATOM 0 H PHE A 4 3.884 -6.600 2.327 1.00 0.00 H new ATOM 0 HA PHE A 4 1.750 -8.072 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.732 -8.474 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.226 -9.118 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.208 -10.955 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.891 -9.403 3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.416 -12.942 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.100 -11.385 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.864 -13.151 0.964 1.00 0.00 H new ATOM 74 N VAL A 5 0.332 -6.139 1.483 1.00 0.00 N ATOM 75 CA VAL A 5 -0.626 -5.115 1.853 1.00 0.00 C ATOM 76 C VAL A 5 -1.912 -5.795 2.300 1.00 0.00 C ATOM 77 O VAL A 5 -2.512 -6.548 1.536 1.00 0.00 O ATOM 78 CB VAL A 5 -0.884 -4.198 0.656 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.881 -3.110 1.051 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.421 -3.542 0.211 1.00 0.00 C ATOM 0 H VAL A 5 0.220 -6.490 0.532 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.238 -4.507 2.670 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.289 -4.791 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.064 -2.457 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.818 -3.571 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.473 -2.524 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.229 -2.891 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.831 -2.954 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.137 -4.313 -0.075 1.00 0.00 H new ATOM 90 N LYS A 6 -2.328 -5.549 3.543 1.00 0.00 N ATOM 91 CA LYS A 6 -3.504 -6.195 4.092 1.00 0.00 C ATOM 92 C LYS A 6 -4.658 -5.204 4.149 1.00 0.00 C ATOM 93 O LYS A 6 -4.574 -4.190 4.841 1.00 0.00 O ATOM 94 CB LYS A 6 -3.170 -6.752 5.474 1.00 0.00 C ATOM 95 CG LYS A 6 -4.290 -7.672 5.956 1.00 0.00 C ATOM 96 CD LYS A 6 -3.872 -8.322 7.273 1.00 0.00 C ATOM 97 CE LYS A 6 -4.944 -9.308 7.727 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.543 -9.989 8.967 1.00 0.00 N ATOM 0 H LYS A 6 -1.863 -4.905 4.183 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.812 -7.023 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.229 -7.301 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.032 -5.934 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.210 -7.104 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.496 -8.437 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.920 -8.838 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.722 -7.557 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.885 -8.780 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.120 -10.045 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.289 -10.654 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.658 -10.510 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.398 -9.285 9.719 1.00 0.00 H new ATOM 112 N THR A 7 -5.705 -5.467 3.365 1.00 0.00 N ATOM 113 CA THR A 7 -6.867 -4.601 3.286 1.00 0.00 C ATOM 114 C THR A 7 -7.606 -4.587 4.619 1.00 0.00 C ATOM 115 O THR A 7 -7.272 -5.343 5.529 1.00 0.00 O ATOM 116 CB THR A 7 -7.788 -5.101 2.176 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.200 -6.415 2.476 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.048 -5.098 0.840 1.00 0.00 C ATOM 0 H THR A 7 -5.764 -6.292 2.767 1.00 0.00 H new ATOM 0 HA THR A 7 -6.547 -3.583 3.062 1.00 0.00 H new ATOM 0 HB THR A 7 -8.655 -4.444 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.173 -6.483 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.714 -5.456 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.724 -4.084 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.178 -5.752 0.904 1.00 0.00 H new ATOM 126 N ALA A 8 -8.644 -3.750 4.715 1.00 0.00 N ATOM 127 CA ALA A 8 -9.454 -3.664 5.915 1.00 0.00 C ATOM 128 C ALA A 8 -10.340 -4.900 6.045 1.00 0.00 C ATOM 129 O ALA A 8 -10.937 -5.124 7.094 1.00 0.00 O ATOM 130 CB ALA A 8 -10.311 -2.402 5.855 1.00 0.00 C ATOM 0 H ALA A 8 -8.937 -3.122 3.966 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.803 -3.617 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.922 -2.334 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.665 -1.527 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.959 -2.444 4.980 1.00 0.00 H new ATOM 136 N THR A 9 -10.414 -5.710 4.983 1.00 0.00 N ATOM 137 CA THR A 9 -11.192 -6.937 5.006 1.00 0.00 C ATOM 138 C THR A 9 -10.299 -8.097 5.433 1.00 0.00 C ATOM 139 O THR A 9 -10.748 -9.240 5.493 1.00 0.00 O ATOM 140 CB THR A 9 -11.798 -7.192 3.624 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.770 -7.222 2.659 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.781 -6.076 3.271 1.00 0.00 C ATOM 0 H THR A 9 -9.940 -5.530 4.098 1.00 0.00 H new ATOM 0 HA THR A 9 -12.007 -6.844 5.724 1.00 0.00 H new ATOM 0 HB THR A 9 -12.323 -8.147 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.157 -7.386 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.208 -6.265 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.579 -6.046 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.258 -5.120 3.262 1.00 0.00 H new ATOM 150 N GLY A 10 -9.027 -7.803 5.710 1.00 0.00 N ATOM 151 CA GLY A 10 -8.079 -8.798 6.172 1.00 0.00 C ATOM 152 C GLY A 10 -7.492 -9.580 5.003 1.00 0.00 C ATOM 153 O GLY A 10 -6.602 -10.405 5.199 1.00 0.00 O ATOM 0 H GLY A 10 -8.633 -6.867 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.277 -8.311 6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.573 -9.483 6.861 1.00 0.00 H new ATOM 157 N LYS A 11 -7.993 -9.337 3.789 1.00 0.00 N ATOM 158 CA LYS A 11 -7.489 -10.018 2.612 1.00 0.00 C ATOM 159 C LYS A 11 -6.110 -9.476 2.257 1.00 0.00 C ATOM 160 O LYS A 11 -5.977 -8.324 1.848 1.00 0.00 O ATOM 161 CB LYS A 11 -8.464 -9.842 1.449 1.00 0.00 C ATOM 162 CG LYS A 11 -9.781 -10.546 1.778 1.00 0.00 C ATOM 163 CD LYS A 11 -10.645 -10.649 0.523 1.00 0.00 C ATOM 164 CE LYS A 11 -11.894 -11.470 0.837 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.682 -11.727 -0.379 1.00 0.00 N ATOM 0 H LYS A 11 -8.746 -8.674 3.604 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.398 -11.084 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.641 -8.782 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.036 -10.256 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.582 -11.541 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.314 -9.995 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.927 -9.654 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.081 -11.117 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.605 -12.417 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.507 -10.940 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.524 -12.286 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.977 -10.823 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.103 -12.254 -1.063 1.00 0.00 H new ATOM 179 N THR A 12 -5.084 -10.311 2.428 1.00 0.00 N ATOM 180 CA THR A 12 -3.710 -9.932 2.159 1.00 0.00 C ATOM 181 C THR A 12 -3.468 -9.872 0.654 1.00 0.00 C ATOM 182 O THR A 12 -4.031 -10.662 -0.100 1.00 0.00 O ATOM 183 CB THR A 12 -2.777 -10.952 2.810 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.186 -11.178 4.141 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.342 -10.431 2.800 1.00 0.00 C ATOM 0 H THR A 12 -5.190 -11.270 2.758 1.00 0.00 H new ATOM 0 HA THR A 12 -3.512 -8.944 2.575 1.00 0.00 H new ATOM 0 HB THR A 12 -2.820 -11.885 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.590 -11.833 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.685 -11.165 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.024 -10.261 1.771 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.291 -9.494 3.355 1.00 0.00 H new ATOM 193 N ILE A 13 -2.636 -8.919 0.223 1.00 0.00 N ATOM 194 CA ILE A 13 -2.297 -8.753 -1.178 1.00 0.00 C ATOM 195 C ILE A 13 -0.783 -8.760 -1.341 1.00 0.00 C ATOM 196 O ILE A 13 -0.110 -7.821 -0.921 1.00 0.00 O ATOM 197 CB ILE A 13 -2.885 -7.443 -1.711 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.379 -7.361 -1.394 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.661 -7.374 -3.223 1.00 0.00 C ATOM 200 CD1 ILE A 13 -4.945 -6.021 -1.862 1.00 0.00 C ATOM 0 H ILE A 13 -2.183 -8.246 0.841 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.719 -9.579 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.388 -6.601 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.908 -8.178 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.538 -7.477 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.077 -6.444 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.592 -7.409 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.154 -8.219 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.009 -5.975 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.427 -5.209 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.803 -5.922 -2.938 1.00 0.00 H new ATOM 212 N THR A 14 -0.248 -9.827 -1.937 1.00 0.00 N ATOM 213 CA THR A 14 1.169 -9.900 -2.234 1.00 0.00 C ATOM 214 C THR A 14 1.477 -8.889 -3.329 1.00 0.00 C ATOM 215 O THR A 14 0.902 -8.961 -4.414 1.00 0.00 O ATOM 216 CB THR A 14 1.522 -11.317 -2.687 1.00 0.00 C ATOM 217 OG1 THR A 14 1.067 -12.245 -1.726 1.00 0.00 O ATOM 218 CG2 THR A 14 3.035 -11.452 -2.847 1.00 0.00 C ATOM 0 H THR A 14 -0.781 -10.649 -2.221 1.00 0.00 H new ATOM 0 HA THR A 14 1.763 -9.669 -1.350 1.00 0.00 H new ATOM 0 HB THR A 14 1.042 -11.516 -3.645 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.580 -12.137 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.278 -12.464 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.387 -10.739 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.521 -11.249 -1.893 1.00 0.00 H new ATOM 226 N LEU A 15 2.331 -7.907 -3.029 1.00 0.00 N ATOM 227 CA LEU A 15 2.611 -6.843 -3.973 1.00 0.00 C ATOM 228 C LEU A 15 4.095 -6.799 -4.306 1.00 0.00 C ATOM 229 O LEU A 15 4.928 -7.233 -3.513 1.00 0.00 O ATOM 230 CB LEU A 15 2.139 -5.516 -3.380 1.00 0.00 C ATOM 231 CG LEU A 15 1.851 -4.504 -4.487 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.674 -4.980 -5.337 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.505 -3.163 -3.844 1.00 0.00 C ATOM 0 H LEU A 15 2.833 -7.834 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 15 2.074 -7.028 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.240 -5.677 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.900 -5.121 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 15 2.728 -4.400 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.476 -4.252 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.916 -5.943 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.210 -5.084 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.297 -2.429 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.626 -3.279 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.345 -2.822 -3.239 1.00 0.00 H new ATOM 245 N GLU A 16 4.419 -6.251 -5.479 1.00 0.00 N ATOM 246 CA GLU A 16 5.787 -6.131 -5.938 1.00 0.00 C ATOM 247 C GLU A 16 5.980 -4.760 -6.577 1.00 0.00 C ATOM 248 O GLU A 16 5.433 -4.494 -7.647 1.00 0.00 O ATOM 249 CB GLU A 16 6.077 -7.264 -6.921 1.00 0.00 C ATOM 250 CG GLU A 16 7.562 -7.308 -7.269 1.00 0.00 C ATOM 251 CD GLU A 16 7.881 -8.539 -8.109 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.357 -9.620 -7.758 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.653 -8.382 -9.079 1.00 0.00 O ATOM 0 H GLU A 16 3.730 -5.879 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 16 6.487 -6.214 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.772 -8.216 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.490 -7.124 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.840 -6.407 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.155 -7.322 -6.354 1.00 0.00 H new ATOM 260 N VAL A 17 6.713 -3.873 -5.899 1.00 0.00 N ATOM 261 CA VAL A 17 6.900 -2.510 -6.367 1.00 0.00 C ATOM 262 C VAL A 17 8.384 -2.180 -6.449 1.00 0.00 C ATOM 263 O VAL A 17 9.210 -2.867 -5.849 1.00 0.00 O ATOM 264 CB VAL A 17 6.192 -1.545 -5.411 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.695 -1.838 -5.384 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.759 -1.691 -3.998 1.00 0.00 C ATOM 0 H VAL A 17 7.186 -4.083 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 17 6.471 -2.408 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 17 6.357 -0.527 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.201 -1.146 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.282 -1.716 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.531 -2.861 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.248 -1.000 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.609 -2.713 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.825 -1.464 -4.009 1.00 0.00 H new ATOM 276 N GLU A 18 8.718 -1.093 -7.149 1.00 0.00 N ATOM 277 CA GLU A 18 10.091 -0.638 -7.240 1.00 0.00 C ATOM 278 C GLU A 18 10.419 0.161 -5.983 1.00 0.00 C ATOM 279 O GLU A 18 9.584 0.928 -5.509 1.00 0.00 O ATOM 280 CB GLU A 18 10.256 0.244 -8.475 1.00 0.00 C ATOM 281 CG GLU A 18 9.968 -0.535 -9.760 1.00 0.00 C ATOM 282 CD GLU A 18 10.441 -1.979 -9.665 1.00 0.00 C ATOM 283 OE1 GLU A 18 11.660 -2.167 -9.459 1.00 0.00 O ATOM 284 OE2 GLU A 18 9.597 -2.869 -9.905 1.00 0.00 O ATOM 0 H GLU A 18 8.049 -0.516 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 18 10.766 -1.490 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.582 1.098 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.271 0.641 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.897 -0.516 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.461 -0.046 -10.600 1.00 0.00 H new ATOM 291 N PRO A 19 11.654 0.051 -5.486 1.00 0.00 N ATOM 292 CA PRO A 19 12.085 0.706 -4.268 1.00 0.00 C ATOM 293 C PRO A 19 11.972 2.228 -4.337 1.00 0.00 C ATOM 294 O PRO A 19 11.896 2.879 -3.298 1.00 0.00 O ATOM 295 CB PRO A 19 13.544 0.293 -4.070 1.00 0.00 C ATOM 296 CG PRO A 19 13.702 -0.988 -4.887 1.00 0.00 C ATOM 297 CD PRO A 19 12.656 -0.863 -5.992 1.00 0.00 C ATOM 0 HA PRO A 19 11.446 0.405 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.225 1.070 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.767 0.120 -3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.707 -1.075 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.530 -1.874 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.102 -0.484 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.217 -1.833 -6.227 1.00 0.00 H new ATOM 305 N SER A 20 11.974 2.801 -5.545 1.00 0.00 N ATOM 306 CA SER A 20 12.067 4.246 -5.693 1.00 0.00 C ATOM 307 C SER A 20 10.943 4.805 -6.559 1.00 0.00 C ATOM 308 O SER A 20 11.045 5.930 -7.045 1.00 0.00 O ATOM 309 CB SER A 20 13.429 4.603 -6.284 1.00 0.00 C ATOM 310 OG SER A 20 14.454 4.071 -5.472 1.00 0.00 O ATOM 0 H SER A 20 11.913 2.287 -6.424 1.00 0.00 H new ATOM 0 HA SER A 20 11.962 4.699 -4.707 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.512 4.208 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.533 5.686 -6.355 1.00 0.00 H new ATOM 0 HG SER A 20 15.327 4.300 -5.855 1.00 0.00 H new ATOM 316 N ASP A 21 9.892 4.017 -6.794 1.00 0.00 N ATOM 317 CA ASP A 21 8.771 4.481 -7.597 1.00 0.00 C ATOM 318 C ASP A 21 7.789 5.248 -6.718 1.00 0.00 C ATOM 319 O ASP A 21 6.733 5.667 -7.190 1.00 0.00 O ATOM 320 CB ASP A 21 8.081 3.294 -8.265 1.00 0.00 C ATOM 321 CG ASP A 21 8.751 2.941 -9.587 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.062 2.317 -10.423 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.942 3.290 -9.739 1.00 0.00 O ATOM 0 H ASP A 21 9.798 3.064 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 21 9.138 5.150 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.108 2.432 -7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.031 3.530 -8.438 1.00 0.00 H new ATOM 328 N THR A 22 8.141 5.428 -5.441 1.00 0.00 N ATOM 329 CA THR A 22 7.356 6.188 -4.482 1.00 0.00 C ATOM 330 C THR A 22 6.173 5.362 -3.988 1.00 0.00 C ATOM 331 O THR A 22 5.730 4.434 -4.663 1.00 0.00 O ATOM 332 CB THR A 22 6.891 7.504 -5.116 1.00 0.00 C ATOM 333 OG1 THR A 22 7.987 8.139 -5.738 1.00 0.00 O ATOM 334 CG2 THR A 22 6.323 8.434 -4.047 1.00 0.00 C ATOM 0 H THR A 22 8.997 5.039 -5.044 1.00 0.00 H new ATOM 0 HA THR A 22 7.977 6.425 -3.618 1.00 0.00 H new ATOM 0 HB THR A 22 6.117 7.285 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.690 8.980 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.997 9.365 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.474 7.954 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.092 8.649 -3.305 1.00 0.00 H new ATOM 342 N ILE A 23 5.642 5.725 -2.817 1.00 0.00 N ATOM 343 CA ILE A 23 4.495 5.055 -2.228 1.00 0.00 C ATOM 344 C ILE A 23 3.336 5.028 -3.219 1.00 0.00 C ATOM 345 O ILE A 23 2.496 4.133 -3.168 1.00 0.00 O ATOM 346 CB ILE A 23 4.088 5.790 -0.948 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.174 5.632 0.119 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.764 5.240 -0.417 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.241 4.194 0.633 1.00 0.00 C ATOM 0 H ILE A 23 6.002 6.496 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 23 4.758 4.026 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 23 3.965 6.848 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.140 5.917 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.972 6.309 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.488 5.772 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.986 5.377 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.873 4.178 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.022 4.114 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.282 3.919 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.468 3.522 -0.195 1.00 0.00 H new ATOM 361 N GLU A 24 3.274 6.025 -4.105 1.00 0.00 N ATOM 362 CA GLU A 24 2.199 6.125 -5.072 1.00 0.00 C ATOM 363 C GLU A 24 2.117 4.854 -5.912 1.00 0.00 C ATOM 364 O GLU A 24 1.034 4.463 -6.341 1.00 0.00 O ATOM 365 CB GLU A 24 2.429 7.353 -5.949 1.00 0.00 C ATOM 366 CG GLU A 24 1.251 7.546 -6.902 1.00 0.00 C ATOM 367 CD GLU A 24 1.392 8.846 -7.681 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.968 9.886 -7.129 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.973 8.789 -8.785 1.00 0.00 O ATOM 0 H GLU A 24 3.964 6.774 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 24 1.247 6.236 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.550 8.238 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.351 7.236 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.197 6.706 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.319 7.555 -6.338 1.00 0.00 H new ATOM 376 N ASN A 25 3.257 4.190 -6.116 1.00 0.00 N ATOM 377 CA ASN A 25 3.303 2.975 -6.908 1.00 0.00 C ATOM 378 C ASN A 25 2.607 1.836 -6.173 1.00 0.00 C ATOM 379 O ASN A 25 1.999 0.974 -6.804 1.00 0.00 O ATOM 380 CB ASN A 25 4.759 2.618 -7.187 1.00 0.00 C ATOM 381 CG ASN A 25 4.864 1.473 -8.185 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.669 0.315 -7.828 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.213 1.796 -9.432 1.00 0.00 N ATOM 0 H ASN A 25 4.159 4.480 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 25 2.782 3.136 -7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.282 3.492 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.252 2.339 -6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.328 1.066 -10.135 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.364 2.773 -9.682 1.00 0.00 H new ATOM 390 N VAL A 26 2.639 1.862 -4.839 1.00 0.00 N ATOM 391 CA VAL A 26 1.998 0.830 -4.048 1.00 0.00 C ATOM 392 C VAL A 26 0.488 0.924 -4.231 1.00 0.00 C ATOM 393 O VAL A 26 -0.209 -0.088 -4.198 1.00 0.00 O ATOM 394 CB VAL A 26 2.377 1.007 -2.575 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.740 -0.097 -1.732 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.895 0.945 -2.417 1.00 0.00 C ATOM 0 H VAL A 26 3.103 2.588 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 26 2.331 -0.155 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 26 2.013 1.977 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.016 0.039 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.655 -0.050 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.093 -1.068 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.157 1.072 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.258 -0.021 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.355 1.740 -3.004 1.00 0.00 H new ATOM 406 N LYS A 27 -0.010 2.137 -4.486 1.00 0.00 N ATOM 407 CA LYS A 27 -1.425 2.350 -4.718 1.00 0.00 C ATOM 408 C LYS A 27 -1.767 2.004 -6.161 1.00 0.00 C ATOM 409 O LYS A 27 -2.895 1.615 -6.454 1.00 0.00 O ATOM 410 CB LYS A 27 -1.776 3.810 -4.430 1.00 0.00 C ATOM 411 CG LYS A 27 -1.471 4.149 -2.971 1.00 0.00 C ATOM 412 CD LYS A 27 -1.921 5.576 -2.656 1.00 0.00 C ATOM 413 CE LYS A 27 -1.135 6.571 -3.508 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.514 7.958 -3.194 1.00 0.00 N ATOM 0 H LYS A 27 0.556 2.984 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.003 1.707 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.207 4.465 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.831 3.986 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.980 3.445 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.402 4.047 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.988 5.681 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.768 5.789 -1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.067 6.436 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.317 6.372 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.964 8.611 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.528 8.091 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.318 8.153 -2.191 1.00 0.00 H new ATOM 428 N ALA A 28 -0.795 2.153 -7.066 1.00 0.00 N ATOM 429 CA ALA A 28 -1.026 1.926 -8.480 1.00 0.00 C ATOM 430 C ALA A 28 -1.090 0.434 -8.787 1.00 0.00 C ATOM 431 O ALA A 28 -1.906 0.007 -9.601 1.00 0.00 O ATOM 432 CB ALA A 28 0.098 2.576 -9.281 1.00 0.00 C ATOM 0 H ALA A 28 0.159 2.431 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.982 2.369 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.070 2.409 -10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.115 3.647 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.053 2.137 -8.991 1.00 0.00 H new ATOM 438 N LYS A 29 -0.272 -0.369 -8.102 1.00 0.00 N ATOM 439 CA LYS A 29 -0.263 -1.801 -8.339 1.00 0.00 C ATOM 440 C LYS A 29 -1.518 -2.434 -7.752 1.00 0.00 C ATOM 441 O LYS A 29 -1.945 -3.495 -8.202 1.00 0.00 O ATOM 442 CB LYS A 29 0.986 -2.414 -7.710 1.00 0.00 C ATOM 443 CG LYS A 29 2.246 -1.940 -8.435 1.00 0.00 C ATOM 444 CD LYS A 29 2.316 -2.540 -9.838 1.00 0.00 C ATOM 445 CE LYS A 29 3.634 -2.140 -10.497 1.00 0.00 C ATOM 446 NZ LYS A 29 3.803 -2.817 -11.793 1.00 0.00 N ATOM 0 H LYS A 29 0.383 -0.050 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.249 -1.990 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.041 -2.138 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.924 -3.501 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.248 -0.852 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.130 -2.228 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.238 -3.626 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.476 -2.189 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.660 -1.060 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.465 -2.394 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.706 -2.528 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.801 -3.847 -11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.021 -2.555 -12.426 1.00 0.00 H new ATOM 460 N ILE A 30 -2.145 -1.762 -6.784 1.00 0.00 N ATOM 461 CA ILE A 30 -3.378 -2.257 -6.206 1.00 0.00 C ATOM 462 C ILE A 30 -4.561 -1.694 -6.986 1.00 0.00 C ATOM 463 O ILE A 30 -5.629 -2.299 -7.012 1.00 0.00 O ATOM 464 CB ILE A 30 -3.445 -1.866 -4.728 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.330 -2.600 -3.980 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.803 -2.259 -4.145 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.218 -2.090 -2.545 1.00 0.00 C ATOM 0 H ILE A 30 -1.815 -0.880 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.413 -3.345 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.319 -0.788 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.532 -3.671 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.382 -2.456 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.843 -1.977 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.595 -1.744 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.941 -3.336 -4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.420 -2.624 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.993 -1.023 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.161 -2.258 -2.025 1.00 0.00 H new ATOM 479 N GLN A 31 -4.355 -0.566 -7.671 1.00 0.00 N ATOM 480 CA GLN A 31 -5.381 0.004 -8.522 1.00 0.00 C ATOM 481 C GLN A 31 -5.646 -0.943 -9.684 1.00 0.00 C ATOM 482 O GLN A 31 -6.778 -1.064 -10.145 1.00 0.00 O ATOM 483 CB GLN A 31 -4.911 1.366 -9.031 1.00 0.00 C ATOM 484 CG GLN A 31 -5.962 1.983 -9.952 1.00 0.00 C ATOM 485 CD GLN A 31 -5.486 3.322 -10.498 1.00 0.00 C ATOM 486 OE1 GLN A 31 -4.967 4.151 -9.753 1.00 0.00 O ATOM 487 NE2 GLN A 31 -5.649 3.530 -11.806 1.00 0.00 N ATOM 0 H GLN A 31 -3.484 -0.036 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.306 0.140 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.722 2.031 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.969 1.255 -9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.172 1.303 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.895 2.119 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.085 2.813 -12.386 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.337 4.406 -12.226 1.00 0.00 H new ATOM 496 N ASP A 32 -4.600 -1.635 -10.139 1.00 0.00 N ATOM 497 CA ASP A 32 -4.707 -2.565 -11.245 1.00 0.00 C ATOM 498 C ASP A 32 -5.295 -3.892 -10.776 1.00 0.00 C ATOM 499 O ASP A 32 -5.913 -4.608 -11.562 1.00 0.00 O ATOM 500 CB ASP A 32 -3.319 -2.789 -11.838 1.00 0.00 C ATOM 501 CG ASP A 32 -3.383 -3.713 -13.046 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.167 -4.928 -12.845 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.533 -3.173 -14.163 1.00 0.00 O ATOM 0 H ASP A 32 -3.661 -1.561 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.371 -2.149 -12.002 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.886 -1.832 -12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.662 -3.219 -11.082 1.00 0.00 H new ATOM 508 N LYS A 33 -5.099 -4.225 -9.497 1.00 0.00 N ATOM 509 CA LYS A 33 -5.512 -5.514 -8.975 1.00 0.00 C ATOM 510 C LYS A 33 -6.888 -5.428 -8.325 1.00 0.00 C ATOM 511 O LYS A 33 -7.794 -6.169 -8.698 1.00 0.00 O ATOM 512 CB LYS A 33 -4.471 -5.992 -7.963 1.00 0.00 C ATOM 513 CG LYS A 33 -4.769 -7.424 -7.519 1.00 0.00 C ATOM 514 CD LYS A 33 -4.604 -8.379 -8.699 1.00 0.00 C ATOM 515 CE LYS A 33 -4.806 -9.815 -8.226 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.642 -10.764 -9.337 1.00 0.00 N ATOM 0 H LYS A 33 -4.656 -3.614 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.583 -6.227 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.476 -5.943 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.468 -5.330 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.096 -7.711 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.784 -7.489 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.326 -8.137 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.612 -8.265 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.090 -10.046 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.801 -9.923 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.784 -11.734 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.342 -10.556 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.684 -10.675 -9.731 1.00 0.00 H new ATOM 530 N GLU A 34 -7.041 -4.546 -7.336 1.00 0.00 N ATOM 531 CA GLU A 34 -8.289 -4.440 -6.603 1.00 0.00 C ATOM 532 C GLU A 34 -9.240 -3.492 -7.329 1.00 0.00 C ATOM 533 O GLU A 34 -10.440 -3.490 -7.061 1.00 0.00 O ATOM 534 CB GLU A 34 -7.995 -3.933 -5.191 1.00 0.00 C ATOM 535 CG GLU A 34 -9.174 -4.202 -4.255 1.00 0.00 C ATOM 536 CD GLU A 34 -9.473 -5.693 -4.150 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.288 -6.171 -4.968 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.974 -6.303 -3.179 1.00 0.00 O ATOM 0 H GLU A 34 -6.314 -3.899 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.766 -5.418 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.101 -4.421 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.787 -2.864 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.953 -3.803 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.057 -3.677 -4.620 1.00 0.00 H new ATOM 545 N GLY A 35 -8.706 -2.707 -8.269 1.00 0.00 N ATOM 546 CA GLY A 35 -9.506 -1.813 -9.087 1.00 0.00 C ATOM 547 C GLY A 35 -9.825 -0.514 -8.352 1.00 0.00 C ATOM 548 O GLY A 35 -10.337 0.424 -8.958 1.00 0.00 O ATOM 0 H GLY A 35 -7.708 -2.679 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.972 -1.588 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.434 -2.310 -9.369 1.00 0.00 H new ATOM 552 N ILE A 36 -9.518 -0.452 -7.053 1.00 0.00 N ATOM 553 CA ILE A 36 -9.814 0.718 -6.242 1.00 0.00 C ATOM 554 C ILE A 36 -8.897 1.876 -6.631 1.00 0.00 C ATOM 555 O ILE A 36 -7.686 1.794 -6.433 1.00 0.00 O ATOM 556 CB ILE A 36 -9.628 0.371 -4.763 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.509 -0.822 -4.391 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.995 1.578 -3.898 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.233 -1.248 -2.950 1.00 0.00 C ATOM 0 H ILE A 36 -9.061 -1.208 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.846 1.023 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.585 0.109 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.560 -0.558 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.314 -1.654 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.861 1.326 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.351 2.419 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.035 1.850 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.865 -2.098 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.185 -1.531 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.451 -0.419 -2.277 1.00 0.00 H new ATOM 571 N PRO A 37 -9.474 2.982 -7.120 1.00 0.00 N ATOM 572 CA PRO A 37 -8.738 4.179 -7.472 1.00 0.00 C ATOM 573 C PRO A 37 -8.065 4.780 -6.239 1.00 0.00 C ATOM 574 O PRO A 37 -8.402 4.420 -5.112 1.00 0.00 O ATOM 575 CB PRO A 37 -9.772 5.156 -8.041 1.00 0.00 C ATOM 576 CG PRO A 37 -11.000 4.301 -8.357 1.00 0.00 C ATOM 577 CD PRO A 37 -10.885 3.113 -7.406 1.00 0.00 C ATOM 0 HA PRO A 37 -7.950 3.962 -8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.012 5.939 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.395 5.651 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.924 4.855 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.003 3.979 -9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.456 3.284 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.279 2.205 -7.863 1.00 0.00 H new ATOM 585 N PRO A 38 -7.192 5.770 -6.447 1.00 0.00 N ATOM 586 CA PRO A 38 -6.518 6.487 -5.383 1.00 0.00 C ATOM 587 C PRO A 38 -7.524 7.189 -4.474 1.00 0.00 C ATOM 588 O PRO A 38 -8.690 7.339 -4.836 1.00 0.00 O ATOM 589 CB PRO A 38 -5.616 7.512 -6.075 1.00 0.00 C ATOM 590 CG PRO A 38 -5.478 7.010 -7.513 1.00 0.00 C ATOM 591 CD PRO A 38 -6.745 6.194 -7.754 1.00 0.00 C ATOM 0 HA PRO A 38 -5.946 5.808 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.056 8.509 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.645 7.578 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.399 7.838 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.583 6.400 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.507 6.793 -8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.542 5.336 -8.396 1.00 0.00 H new ATOM 599 N ASP A 39 -7.043 7.673 -3.324 1.00 0.00 N ATOM 600 CA ASP A 39 -7.818 8.444 -2.359 1.00 0.00 C ATOM 601 C ASP A 39 -8.825 7.576 -1.613 1.00 0.00 C ATOM 602 O ASP A 39 -8.968 7.707 -0.399 1.00 0.00 O ATOM 603 CB ASP A 39 -8.513 9.617 -3.047 1.00 0.00 C ATOM 604 CG ASP A 39 -9.093 10.574 -2.013 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.339 10.666 -1.962 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.289 11.111 -1.221 1.00 0.00 O ATOM 0 H ASP A 39 -6.075 7.532 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.123 8.837 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.803 10.146 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.308 9.247 -3.695 1.00 0.00 H new ATOM 611 N GLN A 40 -9.516 6.682 -2.322 1.00 0.00 N ATOM 612 CA GLN A 40 -10.473 5.800 -1.681 1.00 0.00 C ATOM 613 C GLN A 40 -9.728 4.832 -0.772 1.00 0.00 C ATOM 614 O GLN A 40 -10.318 4.241 0.130 1.00 0.00 O ATOM 615 CB GLN A 40 -11.276 5.051 -2.743 1.00 0.00 C ATOM 616 CG GLN A 40 -12.197 6.034 -3.465 1.00 0.00 C ATOM 617 CD GLN A 40 -13.026 5.326 -4.527 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.875 4.500 -4.203 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.804 5.674 -5.796 1.00 0.00 N ATOM 0 H GLN A 40 -9.427 6.555 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.171 6.380 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.603 4.575 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.863 4.258 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.858 6.515 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.603 6.822 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.087 6.365 -6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.351 5.249 -6.545 1.00 0.00 H new ATOM 628 N GLN A 41 -8.420 4.692 -1.001 1.00 0.00 N ATOM 629 CA GLN A 41 -7.564 3.865 -0.176 1.00 0.00 C ATOM 630 C GLN A 41 -6.487 4.728 0.472 1.00 0.00 C ATOM 631 O GLN A 41 -6.165 5.801 -0.036 1.00 0.00 O ATOM 632 CB GLN A 41 -6.953 2.763 -1.039 1.00 0.00 C ATOM 633 CG GLN A 41 -6.003 3.376 -2.068 1.00 0.00 C ATOM 634 CD GLN A 41 -5.487 2.319 -3.035 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.661 1.487 -2.668 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.968 2.360 -4.278 1.00 0.00 N ATOM 0 H GLN A 41 -7.932 5.154 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.143 3.398 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.414 2.053 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.741 2.206 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.519 4.160 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.163 3.847 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.653 3.070 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.651 1.681 -4.970 1.00 0.00 H new ATOM 645 N ARG A 42 -5.886 4.229 1.554 1.00 0.00 N ATOM 646 CA ARG A 42 -4.799 4.917 2.226 1.00 0.00 C ATOM 647 C ARG A 42 -3.890 3.892 2.885 1.00 0.00 C ATOM 648 O ARG A 42 -4.366 2.903 3.437 1.00 0.00 O ATOM 649 CB ARG A 42 -5.367 5.888 3.258 1.00 0.00 C ATOM 650 CG ARG A 42 -5.192 7.316 2.745 1.00 0.00 C ATOM 651 CD ARG A 42 -5.903 8.299 3.669 1.00 0.00 C ATOM 652 NE ARG A 42 -7.355 8.142 3.583 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.220 9.137 3.817 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.770 10.347 4.182 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.536 8.922 3.689 1.00 0.00 N ATOM 0 H ARG A 42 -6.143 3.340 1.982 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.215 5.489 1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.422 5.677 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.855 5.765 4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.132 7.562 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.594 7.399 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.576 8.139 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.627 9.319 3.402 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.728 7.227 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.768 10.510 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.430 11.104 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.878 8.001 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.196 9.679 3.867 1.00 0.00 H new ATOM 669 N LEU A 43 -2.579 4.136 2.831 1.00 0.00 N ATOM 670 CA LEU A 43 -1.595 3.197 3.332 1.00 0.00 C ATOM 671 C LEU A 43 -1.124 3.609 4.720 1.00 0.00 C ATOM 672 O LEU A 43 -1.142 4.790 5.065 1.00 0.00 O ATOM 673 CB LEU A 43 -0.408 3.171 2.369 1.00 0.00 C ATOM 674 CG LEU A 43 -0.703 2.270 1.170 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.390 2.463 0.123 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.720 0.805 1.605 1.00 0.00 C ATOM 0 H LEU A 43 -2.179 4.989 2.439 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.043 2.206 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.190 4.182 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.481 2.813 2.889 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.676 2.533 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.188 1.824 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.408 3.505 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.356 2.198 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.931 0.172 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.251 0.538 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.492 0.659 2.360 1.00 0.00 H new ATOM 688 N ALA A 44 -0.639 2.631 5.489 1.00 0.00 N ATOM 689 CA ALA A 44 -0.075 2.867 6.804 1.00 0.00 C ATOM 690 C ALA A 44 0.899 1.742 7.138 1.00 0.00 C ATOM 691 O ALA A 44 0.938 0.727 6.444 1.00 0.00 O ATOM 692 CB ALA A 44 -1.198 2.929 7.837 1.00 0.00 C ATOM 0 H ALA A 44 -0.630 1.651 5.208 1.00 0.00 H new ATOM 0 HA ALA A 44 0.461 3.816 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.774 3.106 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.881 3.740 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.742 1.985 7.840 1.00 0.00 H new ATOM 698 N PHE A 45 1.667 1.910 8.217 1.00 0.00 N ATOM 699 CA PHE A 45 2.630 0.913 8.646 1.00 0.00 C ATOM 700 C PHE A 45 2.675 0.866 10.167 1.00 0.00 C ATOM 701 O PHE A 45 3.233 1.762 10.795 1.00 0.00 O ATOM 702 CB PHE A 45 4.005 1.253 8.071 1.00 0.00 C ATOM 703 CG PHE A 45 5.003 0.122 8.173 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.486 -0.282 9.425 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.457 -0.516 7.010 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.412 -1.328 9.515 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.384 -1.561 7.101 1.00 0.00 C ATOM 708 CZ PHE A 45 6.862 -1.969 8.353 1.00 0.00 C ATOM 0 H PHE A 45 1.634 2.739 8.810 1.00 0.00 H new ATOM 0 HA PHE A 45 2.333 -0.070 8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.892 1.533 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.402 2.124 8.592 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.144 0.214 10.321 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.091 -0.201 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.780 -1.641 10.481 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.731 -2.053 6.205 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.576 -2.776 8.423 1.00 0.00 H new ATOM 718 N ALA A 46 2.111 -0.191 10.758 1.00 0.00 N ATOM 719 CA ALA A 46 2.090 -0.351 12.203 1.00 0.00 C ATOM 720 C ALA A 46 1.481 0.875 12.881 1.00 0.00 C ATOM 721 O ALA A 46 1.720 1.111 14.063 1.00 0.00 O ATOM 722 CB ALA A 46 3.506 -0.623 12.706 1.00 0.00 C ATOM 0 H ALA A 46 1.661 -0.951 10.248 1.00 0.00 H new ATOM 0 HA ALA A 46 1.460 -1.203 12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.491 -0.743 13.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.887 -1.534 12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.153 0.214 12.443 1.00 0.00 H new ATOM 728 N GLY A 47 0.698 1.656 12.133 1.00 0.00 N ATOM 729 CA GLY A 47 0.031 2.829 12.668 1.00 0.00 C ATOM 730 C GLY A 47 0.689 4.111 12.168 1.00 0.00 C ATOM 731 O GLY A 47 0.129 5.193 12.329 1.00 0.00 O ATOM 0 H GLY A 47 0.514 1.488 11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.019 2.818 12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.060 2.803 13.757 1.00 0.00 H new ATOM 735 N LYS A 48 1.848 3.993 11.515 1.00 0.00 N ATOM 736 CA LYS A 48 2.505 5.144 10.925 1.00 0.00 C ATOM 737 C LYS A 48 1.806 5.490 9.618 1.00 0.00 C ATOM 738 O LYS A 48 1.739 4.658 8.716 1.00 0.00 O ATOM 739 CB LYS A 48 3.977 4.822 10.662 1.00 0.00 C ATOM 740 CG LYS A 48 4.669 4.375 11.949 1.00 0.00 C ATOM 741 CD LYS A 48 6.134 4.063 11.649 1.00 0.00 C ATOM 742 CE LYS A 48 6.824 3.568 12.917 1.00 0.00 C ATOM 743 NZ LYS A 48 8.239 3.252 12.661 1.00 0.00 N ATOM 0 H LYS A 48 2.344 3.111 11.386 1.00 0.00 H new ATOM 0 HA LYS A 48 2.450 5.993 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.054 4.037 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.480 5.701 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.599 5.158 12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.173 3.494 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.202 3.306 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.637 4.955 11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.753 4.329 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.312 2.681 13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.684 2.918 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.303 2.509 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.730 4.105 12.327 1.00 0.00 H new ATOM 757 N GLN A 49 1.289 6.715 9.507 1.00 0.00 N ATOM 758 CA GLN A 49 0.624 7.139 8.289 1.00 0.00 C ATOM 759 C GLN A 49 1.647 7.268 7.170 1.00 0.00 C ATOM 760 O GLN A 49 2.589 8.049 7.279 1.00 0.00 O ATOM 761 CB GLN A 49 -0.091 8.471 8.518 1.00 0.00 C ATOM 762 CG GLN A 49 -0.870 8.435 9.830 1.00 0.00 C ATOM 763 CD GLN A 49 -1.660 9.723 10.023 1.00 0.00 C ATOM 764 OE1 GLN A 49 -1.135 10.813 9.813 1.00 0.00 O ATOM 765 NE2 GLN A 49 -2.933 9.596 10.399 1.00 0.00 N ATOM 0 H GLN A 49 1.321 7.421 10.243 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.120 6.395 8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.636 9.283 8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.770 8.674 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.549 7.582 9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.182 8.296 10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.327 8.669 10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.513 10.426 10.523 1.00 0.00 H new ATOM 774 N LEU A 50 1.486 6.476 6.108 1.00 0.00 N ATOM 775 CA LEU A 50 2.388 6.560 4.977 1.00 0.00 C ATOM 776 C LEU A 50 1.889 7.634 4.022 1.00 0.00 C ATOM 777 O LEU A 50 0.688 7.878 3.932 1.00 0.00 O ATOM 778 CB LEU A 50 2.449 5.208 4.265 1.00 0.00 C ATOM 779 CG LEU A 50 3.026 4.130 5.184 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.032 2.799 4.436 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.456 4.477 5.593 1.00 0.00 C ATOM 0 H LEU A 50 0.746 5.780 6.015 1.00 0.00 H new ATOM 0 HA LEU A 50 3.389 6.820 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.449 4.918 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.062 5.293 3.368 1.00 0.00 H new ATOM 0 HG LEU A 50 2.412 4.064 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.441 2.021 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.013 2.536 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.646 2.888 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.847 3.697 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.081 4.552 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.462 5.430 6.122 1.00 0.00 H new ATOM 793 N GLU A 51 2.811 8.250 3.281 1.00 0.00 N ATOM 794 CA GLU A 51 2.462 9.261 2.305 1.00 0.00 C ATOM 795 C GLU A 51 3.459 9.199 1.154 1.00 0.00 C ATOM 796 O GLU A 51 4.568 8.695 1.320 1.00 0.00 O ATOM 797 CB GLU A 51 2.473 10.627 2.992 1.00 0.00 C ATOM 798 CG GLU A 51 1.859 11.692 2.086 1.00 0.00 C ATOM 799 CD GLU A 51 1.676 13.004 2.841 1.00 0.00 C ATOM 800 OE1 GLU A 51 2.685 13.729 2.977 1.00 0.00 O ATOM 801 OE2 GLU A 51 0.553 13.211 3.354 1.00 0.00 O ATOM 0 H GLU A 51 3.811 8.058 3.346 1.00 0.00 H new ATOM 0 HA GLU A 51 1.465 9.090 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.916 10.574 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.496 10.904 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.500 11.852 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.896 11.346 1.711 1.00 0.00 H new ATOM 808 N ASP A 52 3.053 9.673 -0.026 1.00 0.00 N ATOM 809 CA ASP A 52 3.907 9.655 -1.197 1.00 0.00 C ATOM 810 C ASP A 52 4.801 10.888 -1.223 1.00 0.00 C ATOM 811 O ASP A 52 4.537 11.866 -0.527 1.00 0.00 O ATOM 812 CB ASP A 52 3.040 9.582 -2.453 1.00 0.00 C ATOM 813 CG ASP A 52 2.080 10.762 -2.533 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.178 10.809 -1.667 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.108 11.436 -3.584 1.00 0.00 O ATOM 0 H ASP A 52 2.130 10.075 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 52 4.553 8.778 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.677 9.569 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.475 8.650 -2.453 1.00 0.00 H new ATOM 820 N GLY A 53 5.872 10.830 -2.020 1.00 0.00 N ATOM 821 CA GLY A 53 6.796 11.939 -2.157 1.00 0.00 C ATOM 822 C GLY A 53 8.200 11.531 -1.723 1.00 0.00 C ATOM 823 O GLY A 53 9.129 12.332 -1.805 1.00 0.00 O ATOM 0 H GLY A 53 6.114 10.014 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.815 12.277 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.454 12.780 -1.554 1.00 0.00 H new ATOM 827 N ARG A 54 8.353 10.295 -1.237 1.00 0.00 N ATOM 828 CA ARG A 54 9.641 9.805 -0.781 1.00 0.00 C ATOM 829 C ARG A 54 9.842 8.356 -1.220 1.00 0.00 C ATOM 830 O ARG A 54 8.871 7.625 -1.415 1.00 0.00 O ATOM 831 CB ARG A 54 9.701 9.942 0.744 1.00 0.00 C ATOM 832 CG ARG A 54 11.029 9.427 1.299 1.00 0.00 C ATOM 833 CD ARG A 54 11.065 9.665 2.809 1.00 0.00 C ATOM 834 NE ARG A 54 12.268 9.090 3.416 1.00 0.00 N ATOM 835 CZ ARG A 54 12.610 9.279 4.698 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.840 10.024 5.495 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.733 8.737 5.177 1.00 0.00 N ATOM 0 H ARG A 54 7.593 9.620 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 54 10.446 10.391 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.570 10.988 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.878 9.387 1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.140 8.364 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.862 9.939 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.031 10.736 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.179 9.226 3.269 1.00 0.00 H new ATOM 0 HE ARG A 54 12.877 8.516 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.989 10.451 5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.103 10.166 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.331 8.179 4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.993 8.881 6.153 1.00 0.00 H new ATOM 851 N THR A 55 11.106 7.931 -1.310 1.00 0.00 N ATOM 852 CA THR A 55 11.468 6.559 -1.627 1.00 0.00 C ATOM 853 C THR A 55 10.815 5.630 -0.610 1.00 0.00 C ATOM 854 O THR A 55 11.116 5.703 0.579 1.00 0.00 O ATOM 855 CB THR A 55 12.992 6.435 -1.583 1.00 0.00 C ATOM 856 OG1 THR A 55 13.562 7.375 -2.467 1.00 0.00 O ATOM 857 CG2 THR A 55 13.430 5.032 -1.993 1.00 0.00 C ATOM 0 H THR A 55 11.910 8.541 -1.162 1.00 0.00 H new ATOM 0 HA THR A 55 11.121 6.283 -2.623 1.00 0.00 H new ATOM 0 HB THR A 55 13.329 6.625 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.539 7.299 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.517 4.965 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.997 4.301 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.089 4.826 -3.008 1.00 0.00 H new ATOM 865 N LEU A 56 9.880 4.792 -1.069 1.00 0.00 N ATOM 866 CA LEU A 56 9.094 3.967 -0.170 1.00 0.00 C ATOM 867 C LEU A 56 9.971 2.987 0.601 1.00 0.00 C ATOM 868 O LEU A 56 9.669 2.675 1.752 1.00 0.00 O ATOM 869 CB LEU A 56 8.008 3.232 -0.961 1.00 0.00 C ATOM 870 CG LEU A 56 8.598 2.270 -1.995 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.742 0.869 -1.400 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.651 2.189 -3.189 1.00 0.00 C ATOM 0 H LEU A 56 9.655 4.673 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 56 8.618 4.615 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.372 2.677 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.372 3.960 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 56 9.579 2.637 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.163 0.197 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.403 0.908 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.763 0.502 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.061 1.506 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.679 1.824 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.536 3.179 -3.630 1.00 0.00 H new ATOM 884 N SER A 57 11.075 2.533 0.001 1.00 0.00 N ATOM 885 CA SER A 57 11.937 1.569 0.662 1.00 0.00 C ATOM 886 C SER A 57 12.750 2.252 1.753 1.00 0.00 C ATOM 887 O SER A 57 13.235 1.593 2.671 1.00 0.00 O ATOM 888 CB SER A 57 12.863 0.918 -0.362 1.00 0.00 C ATOM 889 OG SER A 57 13.691 1.898 -0.946 1.00 0.00 O ATOM 0 H SER A 57 11.384 2.817 -0.929 1.00 0.00 H new ATOM 0 HA SER A 57 11.321 0.797 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.473 0.153 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.275 0.419 -1.132 1.00 0.00 H new ATOM 0 HG SER A 57 13.277 2.226 -1.771 1.00 0.00 H new ATOM 895 N ASP A 58 12.890 3.577 1.666 1.00 0.00 N ATOM 896 CA ASP A 58 13.603 4.333 2.675 1.00 0.00 C ATOM 897 C ASP A 58 12.621 4.868 3.710 1.00 0.00 C ATOM 898 O ASP A 58 13.027 5.309 4.783 1.00 0.00 O ATOM 899 CB ASP A 58 14.360 5.479 2.006 1.00 0.00 C ATOM 900 CG ASP A 58 15.215 6.230 3.018 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.963 7.443 3.188 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.113 5.581 3.597 1.00 0.00 O ATOM 0 H ASP A 58 12.515 4.141 0.903 1.00 0.00 H new ATOM 0 HA ASP A 58 14.319 3.687 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.993 5.086 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.652 6.165 1.541 1.00 0.00 H new ATOM 907 N TYR A 59 11.326 4.829 3.384 1.00 0.00 N ATOM 908 CA TYR A 59 10.297 5.364 4.254 1.00 0.00 C ATOM 909 C TYR A 59 10.003 4.402 5.401 1.00 0.00 C ATOM 910 O TYR A 59 10.342 4.686 6.547 1.00 0.00 O ATOM 911 CB TYR A 59 9.039 5.653 3.435 1.00 0.00 C ATOM 912 CG TYR A 59 8.271 6.861 3.916 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.775 7.786 2.988 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.053 7.056 5.287 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.055 8.906 3.425 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.332 8.170 5.732 1.00 0.00 C ATOM 917 CZ TYR A 59 6.827 9.100 4.802 1.00 0.00 C ATOM 918 OH TYR A 59 6.116 10.179 5.232 1.00 0.00 O ATOM 0 H TYR A 59 10.972 4.428 2.516 1.00 0.00 H new ATOM 0 HA TYR A 59 10.649 6.296 4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.320 5.803 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.386 4.781 3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.948 7.635 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.442 6.345 6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.676 9.619 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.163 8.317 6.789 1.00 0.00 H new ATOM 0 HH TYR A 59 6.051 10.160 6.210 1.00 0.00 H new ATOM 928 N ASN A 60 9.329 3.286 5.102 1.00 0.00 N ATOM 929 CA ASN A 60 8.955 2.322 6.125 1.00 0.00 C ATOM 930 C ASN A 60 8.883 0.917 5.537 1.00 0.00 C ATOM 931 O ASN A 60 9.009 -0.061 6.269 1.00 0.00 O ATOM 932 CB ASN A 60 7.595 2.703 6.708 1.00 0.00 C ATOM 933 CG ASN A 60 7.735 3.761 7.794 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.368 3.520 8.820 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.099 4.916 7.593 1.00 0.00 N ATOM 0 H ASN A 60 9.035 3.034 4.158 1.00 0.00 H new ATOM 0 HA ASN A 60 9.710 2.332 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.949 3.077 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.113 1.817 7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.126 5.644 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.586 5.071 6.725 1.00 0.00 H new ATOM 942 N ILE A 61 8.613 0.809 4.232 1.00 0.00 N ATOM 943 CA ILE A 61 8.489 -0.486 3.586 1.00 0.00 C ATOM 944 C ILE A 61 9.764 -1.286 3.820 1.00 0.00 C ATOM 945 O ILE A 61 10.864 -0.748 3.720 1.00 0.00 O ATOM 946 CB ILE A 61 8.221 -0.295 2.090 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.734 -0.019 1.858 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.585 -1.573 1.335 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.374 1.392 2.317 1.00 0.00 C ATOM 0 H ILE A 61 8.478 1.606 3.610 1.00 0.00 H new ATOM 0 HA ILE A 61 7.650 -1.037 4.011 1.00 0.00 H new ATOM 0 HB ILE A 61 8.821 0.543 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.497 -0.135 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.134 -0.749 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.393 -1.434 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.641 -1.797 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.981 -2.400 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.313 1.571 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.591 1.495 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.961 2.118 1.754 1.00 0.00 H new ATOM 961 N GLN A 62 9.610 -2.576 4.128 1.00 0.00 N ATOM 962 CA GLN A 62 10.740 -3.454 4.358 1.00 0.00 C ATOM 963 C GLN A 62 10.535 -4.749 3.585 1.00 0.00 C ATOM 964 O GLN A 62 9.458 -4.989 3.043 1.00 0.00 O ATOM 965 CB GLN A 62 10.880 -3.727 5.854 1.00 0.00 C ATOM 966 CG GLN A 62 11.527 -2.527 6.543 1.00 0.00 C ATOM 967 CD GLN A 62 11.628 -2.754 8.045 1.00 0.00 C ATOM 968 OE1 GLN A 62 11.847 -3.878 8.494 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.438 -1.690 8.825 1.00 0.00 N ATOM 0 H GLN A 62 8.702 -3.031 4.222 1.00 0.00 H new ATOM 0 HA GLN A 62 11.658 -2.981 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.900 -3.923 6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.485 -4.619 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.521 -2.357 6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.941 -1.629 6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.259 -0.777 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.471 -1.789 9.840 1.00 0.00 H new ATOM 978 N LYS A 63 11.583 -5.573 3.522 1.00 0.00 N ATOM 979 CA LYS A 63 11.555 -6.812 2.769 1.00 0.00 C ATOM 980 C LYS A 63 10.456 -7.736 3.284 1.00 0.00 C ATOM 981 O LYS A 63 10.460 -8.127 4.449 1.00 0.00 O ATOM 982 CB LYS A 63 12.929 -7.484 2.837 1.00 0.00 C ATOM 983 CG LYS A 63 13.370 -7.720 4.283 1.00 0.00 C ATOM 984 CD LYS A 63 14.747 -8.378 4.286 1.00 0.00 C ATOM 985 CE LYS A 63 15.171 -8.673 5.723 1.00 0.00 C ATOM 986 NZ LYS A 63 16.486 -9.334 5.760 1.00 0.00 N ATOM 0 H LYS A 63 12.470 -5.394 3.993 1.00 0.00 H new ATOM 0 HA LYS A 63 11.328 -6.592 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.896 -8.435 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.665 -6.861 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.404 -6.775 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.649 -8.356 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.721 -9.301 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.475 -7.723 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.211 -7.744 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.427 -9.309 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.751 -9.524 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.439 -10.231 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.198 -8.715 5.323 1.00 0.00 H new ATOM 1000 N GLU A 64 9.525 -8.100 2.396 1.00 0.00 N ATOM 1001 CA GLU A 64 8.455 -9.032 2.705 1.00 0.00 C ATOM 1002 C GLU A 64 7.819 -8.712 4.053 1.00 0.00 C ATOM 1003 O GLU A 64 7.529 -9.617 4.834 1.00 0.00 O ATOM 1004 CB GLU A 64 9.003 -10.459 2.671 1.00 0.00 C ATOM 1005 CG GLU A 64 9.536 -10.780 1.273 1.00 0.00 C ATOM 1006 CD GLU A 64 10.929 -10.198 1.058 1.00 0.00 C ATOM 1007 OE1 GLU A 64 11.033 -9.251 0.248 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.875 -10.745 1.667 1.00 0.00 O ATOM 0 H GLU A 64 9.500 -7.749 1.438 1.00 0.00 H new ATOM 0 HA GLU A 64 7.671 -8.938 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.799 -10.570 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.218 -11.166 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.567 -11.861 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.854 -10.381 0.522 1.00 0.00 H new ATOM 1015 N SER A 65 7.577 -7.426 4.319 1.00 0.00 N ATOM 1016 CA SER A 65 6.940 -7.016 5.556 1.00 0.00 C ATOM 1017 C SER A 65 5.468 -6.719 5.295 1.00 0.00 C ATOM 1018 O SER A 65 5.043 -6.629 4.144 1.00 0.00 O ATOM 1019 CB SER A 65 7.650 -5.786 6.114 1.00 0.00 C ATOM 1020 OG SER A 65 8.957 -6.138 6.509 1.00 0.00 O ATOM 0 H SER A 65 7.815 -6.658 3.691 1.00 0.00 H new ATOM 0 HA SER A 65 7.008 -7.818 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.686 -5.000 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.096 -5.387 6.964 1.00 0.00 H new ATOM 0 HG SER A 65 9.389 -6.648 5.792 1.00 0.00 H new ATOM 1026 N THR A 66 4.692 -6.559 6.369 1.00 0.00 N ATOM 1027 CA THR A 66 3.260 -6.354 6.266 1.00 0.00 C ATOM 1028 C THR A 66 2.915 -4.885 6.466 1.00 0.00 C ATOM 1029 O THR A 66 3.409 -4.248 7.394 1.00 0.00 O ATOM 1030 CB THR A 66 2.556 -7.223 7.308 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.986 -8.559 7.172 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.042 -7.156 7.112 1.00 0.00 C ATOM 0 H THR A 66 5.044 -6.569 7.326 1.00 0.00 H new ATOM 0 HA THR A 66 2.922 -6.641 5.270 1.00 0.00 H new ATOM 0 HB THR A 66 2.803 -6.855 8.304 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.537 -9.117 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.550 -7.779 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.706 -6.125 7.221 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.788 -7.517 6.115 1.00 0.00 H new ATOM 1040 N LEU A 67 2.043 -4.357 5.604 1.00 0.00 N ATOM 1041 CA LEU A 67 1.558 -2.994 5.723 1.00 0.00 C ATOM 1042 C LEU A 67 0.091 -3.026 6.132 1.00 0.00 C ATOM 1043 O LEU A 67 -0.507 -4.097 6.224 1.00 0.00 O ATOM 1044 CB LEU A 67 1.744 -2.255 4.397 1.00 0.00 C ATOM 1045 CG LEU A 67 3.074 -1.499 4.393 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.251 -2.465 4.269 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.097 -0.541 3.204 1.00 0.00 C ATOM 0 H LEU A 67 1.658 -4.867 4.808 1.00 0.00 H new ATOM 0 HA LEU A 67 2.126 -2.460 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.719 -2.965 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.921 -1.557 4.243 1.00 0.00 H new ATOM 0 HG LEU A 67 3.166 -0.952 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.185 -1.903 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.244 -3.157 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.165 -3.026 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.042 0.003 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.993 -1.107 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.272 0.166 3.291 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.490 -1.851 6.377 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.859 -1.756 6.841 1.00 0.00 C ATOM 1061 C HIS A 68 -2.628 -0.786 5.951 1.00 0.00 C ATOM 1062 O HIS A 68 -2.375 0.416 5.978 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.857 -1.302 8.300 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.205 -1.401 8.959 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -3.474 -2.052 10.136 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -4.364 -0.826 8.521 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -4.781 -1.876 10.404 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.370 -1.133 9.445 1.00 0.00 N ATOM 0 H HIS A 68 -0.024 -0.952 6.258 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.353 -2.726 6.784 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.142 -1.906 8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.511 -0.270 8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.483 -0.239 7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.289 -2.275 11.269 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.350 -0.852 9.402 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.526 -1.319 5.119 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.285 -0.512 4.182 1.00 0.00 C ATOM 1078 C LEU A 69 -5.638 -0.155 4.787 1.00 0.00 C ATOM 1079 O LEU A 69 -6.203 -0.936 5.552 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.470 -1.304 2.885 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.112 -0.444 1.794 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.091 0.548 1.243 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.584 -1.344 0.656 1.00 0.00 C ATOM 0 H LEU A 69 -3.741 -2.315 5.081 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.750 0.413 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.503 -1.671 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.093 -2.178 3.076 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.955 0.099 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.556 1.156 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.740 1.194 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.247 0.004 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.042 -0.735 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.732 -1.883 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.315 -2.057 1.036 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.171 1.012 4.416 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.475 1.459 4.867 1.00 0.00 C ATOM 1097 C ALA A 70 -8.324 1.814 3.654 1.00 0.00 C ATOM 1098 O ALA A 70 -7.811 2.370 2.685 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.309 2.666 5.788 1.00 0.00 C ATOM 0 H ALA A 70 -5.703 1.669 3.792 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.973 0.667 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.289 3.002 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.703 2.386 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.816 3.473 5.245 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.617 1.484 3.701 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.511 1.731 2.583 1.00 0.00 C ATOM 1107 C LEU A 71 -11.654 2.635 3.027 1.00 0.00 C ATOM 1108 O LEU A 71 -11.842 2.869 4.220 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.072 0.407 2.049 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.024 -0.448 1.325 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.247 0.394 0.315 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.060 -1.115 2.306 1.00 0.00 C ATOM 0 H LEU A 71 -10.063 1.044 4.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.952 2.222 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.487 -0.165 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.894 0.618 1.365 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.559 -1.236 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.509 -0.231 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.936 0.806 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.741 1.208 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.334 -1.711 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.539 -0.350 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.619 -1.760 2.984 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.442 3.107 2.058 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.584 3.964 2.318 1.00 0.00 C ATOM 1126 C ARG A 72 -14.703 3.167 2.974 1.00 0.00 C ATOM 1127 O ARG A 72 -14.656 1.938 3.019 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.072 4.562 0.998 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.477 3.441 0.041 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.021 4.032 -1.258 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.265 4.769 -1.025 1.00 0.00 N ATOM 1132 CZ ARG A 72 -16.824 5.574 -1.940 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.239 5.738 -3.133 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -17.965 6.215 -1.661 1.00 0.00 N ATOM 0 H ARG A 72 -12.299 2.900 1.069 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.288 4.765 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.920 5.223 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.285 5.169 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.618 2.805 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.233 2.809 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.278 4.698 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.198 3.233 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.729 4.665 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.369 5.251 -3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.664 6.350 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.410 6.091 -0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.390 6.827 -2.358 1.00 0.00 H new