USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 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 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.0469 (180deg=-0.353) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.00283 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 26:sc= 0.0678 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -156:sc= 1.39 USER MOD Single : A 42 MET CE :methyl 156:sc= -0.0199 (180deg=-0.122) USER MOD Single : A 44 THR OG1 : rot 27:sc= 0.429 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.856 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 THR OG1 : rot -47:sc= -0.142 USER MOD Single : A 61 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.32) USER MOD Single : A 64 LYS NZ :NH3+ -135:sc= -0.957 (180deg=-3.8!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00572 USER MOD Single : A 89 SER OG : rot 100:sc= -0.0113 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 0.969 17.658 -6.524 1.00 0.00 N ATOM 101 CA GLY A 10 0.234 16.480 -6.946 1.00 0.00 C ATOM 102 C GLY A 10 1.128 15.267 -7.112 1.00 0.00 C ATOM 103 O GLY A 10 2.143 15.326 -7.806 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.542 16.258 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.269 16.688 -7.890 1.00 0.00 H new ATOM 107 N ILE A 11 0.752 14.165 -6.472 1.00 0.00 N ATOM 108 CA ILE A 11 1.528 12.934 -6.551 1.00 0.00 C ATOM 109 C ILE A 11 2.084 12.724 -7.955 1.00 0.00 C ATOM 110 O ILE A 11 1.365 12.855 -8.947 1.00 0.00 O ATOM 111 CB ILE A 11 0.681 11.708 -6.158 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.232 11.818 -4.700 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.470 10.426 -6.380 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.767 10.756 -4.294 1.00 0.00 C ATOM 0 H ILE A 11 -0.085 14.100 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 11 2.354 13.036 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.206 11.679 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.106 11.749 -4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.209 12.801 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.858 9.569 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.745 10.345 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.373 10.444 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.041 10.895 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.658 10.838 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.322 9.769 -4.425 1.00 0.00 H new ATOM 126 N THR A 12 3.370 12.396 -8.033 1.00 0.00 N ATOM 127 CA THR A 12 4.024 12.167 -9.316 1.00 0.00 C ATOM 128 C THR A 12 4.151 10.677 -9.610 1.00 0.00 C ATOM 129 O THR A 12 4.137 10.258 -10.768 1.00 0.00 O ATOM 130 CB THR A 12 5.424 12.808 -9.355 1.00 0.00 C ATOM 131 OG1 THR A 12 6.260 12.103 -10.280 1.00 0.00 O ATOM 132 CG2 THR A 12 6.064 12.795 -7.974 1.00 0.00 C ATOM 0 H THR A 12 3.979 12.283 -7.223 1.00 0.00 H new ATOM 0 HA THR A 12 3.398 12.632 -10.077 1.00 0.00 H new ATOM 0 HB THR A 12 5.317 13.843 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.148 12.518 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.052 13.253 -8.026 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.440 13.357 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.159 11.766 -7.627 1.00 0.00 H new ATOM 140 N LYS A 13 4.276 9.879 -8.555 1.00 0.00 N ATOM 141 CA LYS A 13 4.404 8.434 -8.699 1.00 0.00 C ATOM 142 C LYS A 13 3.190 7.719 -8.114 1.00 0.00 C ATOM 143 O LYS A 13 3.293 7.028 -7.100 1.00 0.00 O ATOM 144 CB LYS A 13 5.679 7.942 -8.010 1.00 0.00 C ATOM 145 CG LYS A 13 5.805 6.429 -7.971 1.00 0.00 C ATOM 146 CD LYS A 13 7.260 5.991 -7.976 1.00 0.00 C ATOM 147 CE LYS A 13 7.885 6.150 -9.354 1.00 0.00 C ATOM 148 NZ LYS A 13 7.266 5.236 -10.353 1.00 0.00 N ATOM 0 H LYS A 13 4.291 10.209 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 13 4.462 8.205 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.544 8.357 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.702 8.326 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.311 6.045 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.291 5.998 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.821 6.580 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.329 4.949 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.772 7.182 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.955 5.950 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.910 5.118 -11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.089 4.310 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.366 5.640 -10.683 1.00 0.00 H new ATOM 162 N ARG A 14 2.041 7.888 -8.760 1.00 0.00 N ATOM 163 CA ARG A 14 0.807 7.259 -8.304 1.00 0.00 C ATOM 164 C ARG A 14 0.999 5.757 -8.120 1.00 0.00 C ATOM 165 O ARG A 14 1.763 5.124 -8.851 1.00 0.00 O ATOM 166 CB ARG A 14 -0.323 7.522 -9.300 1.00 0.00 C ATOM 167 CG ARG A 14 -0.090 6.897 -10.665 1.00 0.00 C ATOM 168 CD ARG A 14 -1.036 7.469 -11.709 1.00 0.00 C ATOM 169 NE ARG A 14 -0.668 8.828 -12.096 1.00 0.00 N ATOM 170 CZ ARG A 14 -1.131 9.434 -13.184 1.00 0.00 C ATOM 171 NH1 ARG A 14 -1.975 8.803 -13.989 1.00 0.00 N ATOM 172 NH2 ARG A 14 -0.749 10.672 -13.469 1.00 0.00 N ATOM 0 H ARG A 14 1.939 8.456 -9.601 1.00 0.00 H new ATOM 0 HA ARG A 14 0.541 7.694 -7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.256 7.137 -8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.448 8.598 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.941 7.069 -10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.228 5.818 -10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.033 6.828 -12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.053 7.467 -11.317 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.020 9.340 -11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.270 7.851 -13.773 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.329 9.270 -14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.099 11.160 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.105 11.136 -14.305 1.00 0.00 H new ATOM 186 N LEU A 15 0.301 5.191 -7.141 1.00 0.00 N ATOM 187 CA LEU A 15 0.395 3.763 -6.862 1.00 0.00 C ATOM 188 C LEU A 15 0.202 2.945 -8.134 1.00 0.00 C ATOM 189 O LEU A 15 -0.351 3.431 -9.121 1.00 0.00 O ATOM 190 CB LEU A 15 -0.649 3.358 -5.819 1.00 0.00 C ATOM 191 CG LEU A 15 -0.383 3.825 -4.387 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.674 3.839 -3.583 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.654 2.933 -3.720 1.00 0.00 C ATOM 0 H LEU A 15 -0.336 5.699 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 15 1.391 3.560 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.617 3.748 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.728 2.271 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 15 0.010 4.841 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.466 4.174 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.386 4.519 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.096 2.834 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.831 3.280 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.289 1.906 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.586 2.973 -4.284 1.00 0.00 H new ATOM 205 N LYS A 16 0.661 1.698 -8.105 1.00 0.00 N ATOM 206 CA LYS A 16 0.537 0.810 -9.255 1.00 0.00 C ATOM 207 C LYS A 16 -0.079 -0.524 -8.847 1.00 0.00 C ATOM 208 O LYS A 16 0.132 -1.004 -7.733 1.00 0.00 O ATOM 209 CB LYS A 16 1.908 0.576 -9.895 1.00 0.00 C ATOM 210 CG LYS A 16 1.836 0.198 -11.364 1.00 0.00 C ATOM 211 CD LYS A 16 1.691 -1.304 -11.547 1.00 0.00 C ATOM 212 CE LYS A 16 2.164 -1.746 -12.924 1.00 0.00 C ATOM 213 NZ LYS A 16 1.769 -3.151 -13.221 1.00 0.00 N ATOM 0 H LYS A 16 1.122 1.280 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.120 1.287 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.508 1.480 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.424 -0.214 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.991 0.705 -11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.736 0.542 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.266 -1.822 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.648 -1.589 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.746 -1.083 -13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.248 -1.653 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.619 -3.715 -13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.274 -3.553 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.138 -3.167 -14.048 1.00 0.00 H new ATOM 227 N THR A 17 -0.843 -1.121 -9.757 1.00 0.00 N ATOM 228 CA THR A 17 -1.490 -2.400 -9.493 1.00 0.00 C ATOM 229 C THR A 17 -0.462 -3.514 -9.332 1.00 0.00 C ATOM 230 O THR A 17 0.303 -3.802 -10.252 1.00 0.00 O ATOM 231 CB THR A 17 -2.468 -2.779 -10.621 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.421 -1.727 -10.817 1.00 0.00 O ATOM 233 CG2 THR A 17 -3.195 -4.074 -10.294 1.00 0.00 C ATOM 0 H THR A 17 -1.029 -0.738 -10.684 1.00 0.00 H new ATOM 0 HA THR A 17 -2.047 -2.286 -8.563 1.00 0.00 H new ATOM 0 HB THR A 17 -1.894 -2.924 -11.536 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.038 -1.975 -11.537 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.880 -4.321 -11.105 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.469 -4.878 -10.174 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.758 -3.952 -9.368 1.00 0.00 H new ATOM 241 N MET A 18 -0.450 -4.137 -8.158 1.00 0.00 N ATOM 242 CA MET A 18 0.484 -5.221 -7.879 1.00 0.00 C ATOM 243 C MET A 18 -0.165 -6.577 -8.134 1.00 0.00 C ATOM 244 O MET A 18 -1.312 -6.653 -8.573 1.00 0.00 O ATOM 245 CB MET A 18 0.973 -5.141 -6.431 1.00 0.00 C ATOM 246 CG MET A 18 1.965 -4.016 -6.186 1.00 0.00 C ATOM 247 SD MET A 18 3.596 -4.365 -6.872 1.00 0.00 S ATOM 248 CE MET A 18 4.593 -4.377 -5.384 1.00 0.00 C ATOM 0 H MET A 18 -1.076 -3.910 -7.385 1.00 0.00 H new ATOM 0 HA MET A 18 1.337 -5.114 -8.550 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.114 -5.007 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.437 -6.089 -6.160 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.580 -3.096 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.056 -3.844 -5.113 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.632 -4.581 -5.644 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.525 -3.406 -4.893 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.229 -5.151 -4.709 1.00 0.00 H new ATOM 258 N GLU A 19 0.577 -7.645 -7.857 1.00 0.00 N ATOM 259 CA GLU A 19 0.072 -8.998 -8.059 1.00 0.00 C ATOM 260 C GLU A 19 0.908 -10.012 -7.283 1.00 0.00 C ATOM 261 O GLU A 19 2.057 -10.284 -7.631 1.00 0.00 O ATOM 262 CB GLU A 19 0.076 -9.351 -9.548 1.00 0.00 C ATOM 263 CG GLU A 19 -0.723 -10.600 -9.880 1.00 0.00 C ATOM 264 CD GLU A 19 -0.631 -10.980 -11.345 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.466 -10.844 -11.925 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.657 -11.413 -11.910 1.00 0.00 O ATOM 0 H GLU A 19 1.529 -7.599 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.952 -9.035 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.328 -8.511 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.106 -9.491 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.364 -11.429 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.768 -10.439 -9.615 1.00 0.00 H new ATOM 273 N VAL A 20 0.322 -10.568 -6.227 1.00 0.00 N ATOM 274 CA VAL A 20 1.011 -11.552 -5.400 1.00 0.00 C ATOM 275 C VAL A 20 0.127 -12.767 -5.141 1.00 0.00 C ATOM 276 O VAL A 20 -1.015 -12.827 -5.598 1.00 0.00 O ATOM 277 CB VAL A 20 1.443 -10.948 -4.051 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.136 -9.610 -4.262 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.244 -10.797 -3.127 1.00 0.00 C ATOM 0 H VAL A 20 -0.628 -10.354 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 20 1.899 -11.863 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 20 2.153 -11.627 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.434 -9.199 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.019 -9.752 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.452 -8.920 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.567 -10.369 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.492 -10.139 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.204 -11.775 -2.950 1.00 0.00 H new ATOM 289 N LEU A 21 0.662 -13.734 -4.404 1.00 0.00 N ATOM 290 CA LEU A 21 -0.079 -14.949 -4.082 1.00 0.00 C ATOM 291 C LEU A 21 -0.371 -15.029 -2.587 1.00 0.00 C ATOM 292 O LEU A 21 0.465 -14.662 -1.762 1.00 0.00 O ATOM 293 CB LEU A 21 0.710 -16.183 -4.526 1.00 0.00 C ATOM 294 CG LEU A 21 0.211 -17.526 -3.992 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.814 -18.130 -4.940 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.376 -18.483 -3.782 1.00 0.00 C ATOM 0 H LEU A 21 1.606 -13.701 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.028 -14.919 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.702 -16.222 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.748 -16.056 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.271 -17.356 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.158 -19.085 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.662 -17.452 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.358 -18.286 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.002 -19.434 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.887 -18.648 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.074 -18.054 -3.063 1.00 0.00 H new ATOM 308 N GLU A 22 -1.561 -15.513 -2.246 1.00 0.00 N ATOM 309 CA GLU A 22 -1.962 -15.642 -0.850 1.00 0.00 C ATOM 310 C GLU A 22 -0.835 -16.242 -0.014 1.00 0.00 C ATOM 311 O GLU A 22 -0.341 -17.330 -0.307 1.00 0.00 O ATOM 312 CB GLU A 22 -3.215 -16.511 -0.735 1.00 0.00 C ATOM 313 CG GLU A 22 -3.681 -16.721 0.697 1.00 0.00 C ATOM 314 CD GLU A 22 -4.723 -17.816 0.817 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.763 -18.697 -0.067 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.498 -17.792 1.796 1.00 0.00 O ATOM 0 H GLU A 22 -2.264 -15.822 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.184 -14.645 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.021 -16.050 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.017 -17.482 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.823 -16.971 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.094 -15.788 1.081 1.00 0.00 H new ATOM 323 N GLY A 23 -0.432 -15.522 1.029 1.00 0.00 N ATOM 324 CA GLY A 23 0.634 -15.998 1.892 1.00 0.00 C ATOM 325 C GLY A 23 1.904 -15.183 1.747 1.00 0.00 C ATOM 326 O GLY A 23 2.678 -15.056 2.695 1.00 0.00 O ATOM 0 H GLY A 23 -0.825 -14.618 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.300 -15.964 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.847 -17.041 1.660 1.00 0.00 H new ATOM 330 N GLU A 24 2.119 -14.632 0.557 1.00 0.00 N ATOM 331 CA GLU A 24 3.306 -13.828 0.291 1.00 0.00 C ATOM 332 C GLU A 24 3.203 -12.465 0.971 1.00 0.00 C ATOM 333 O GLU A 24 2.163 -12.114 1.527 1.00 0.00 O ATOM 334 CB GLU A 24 3.499 -13.645 -1.216 1.00 0.00 C ATOM 335 CG GLU A 24 3.741 -14.947 -1.960 1.00 0.00 C ATOM 336 CD GLU A 24 5.205 -15.341 -1.985 1.00 0.00 C ATOM 337 OE1 GLU A 24 5.682 -15.917 -0.985 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.874 -15.074 -3.006 1.00 0.00 O ATOM 0 H GLU A 24 1.487 -14.727 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 24 4.169 -14.355 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.616 -13.158 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.342 -12.976 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.162 -15.742 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.377 -14.850 -2.983 1.00 0.00 H new ATOM 345 N SER A 25 4.291 -11.702 0.922 1.00 0.00 N ATOM 346 CA SER A 25 4.325 -10.380 1.536 1.00 0.00 C ATOM 347 C SER A 25 4.790 -9.328 0.534 1.00 0.00 C ATOM 348 O SER A 25 5.829 -9.483 -0.109 1.00 0.00 O ATOM 349 CB SER A 25 5.250 -10.385 2.754 1.00 0.00 C ATOM 350 OG SER A 25 6.544 -10.852 2.411 1.00 0.00 O ATOM 0 H SER A 25 5.160 -11.977 0.464 1.00 0.00 H new ATOM 0 HA SER A 25 3.314 -10.129 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.321 -9.378 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.826 -11.018 3.534 1.00 0.00 H new ATOM 0 HG SER A 25 6.708 -10.692 1.458 1.00 0.00 H new ATOM 356 N CYS A 26 4.014 -8.257 0.408 1.00 0.00 N ATOM 357 CA CYS A 26 4.345 -7.178 -0.516 1.00 0.00 C ATOM 358 C CYS A 26 4.377 -5.835 0.206 1.00 0.00 C ATOM 359 O CYS A 26 4.184 -5.766 1.419 1.00 0.00 O ATOM 360 CB CYS A 26 3.332 -7.131 -1.662 1.00 0.00 C ATOM 361 SG CYS A 26 1.613 -6.984 -1.122 1.00 0.00 S ATOM 0 H CYS A 26 3.152 -8.113 0.934 1.00 0.00 H new ATOM 0 HA CYS A 26 5.336 -7.374 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.571 -6.288 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.437 -8.034 -2.263 1.00 0.00 H new ATOM 0 HG CYS A 26 0.833 -6.950 -2.161 1.00 0.00 H new ATOM 367 N SER A 27 4.623 -4.769 -0.549 1.00 0.00 N ATOM 368 CA SER A 27 4.686 -3.427 0.019 1.00 0.00 C ATOM 369 C SER A 27 4.423 -2.371 -1.050 1.00 0.00 C ATOM 370 O SER A 27 5.041 -2.382 -2.115 1.00 0.00 O ATOM 371 CB SER A 27 6.052 -3.187 0.664 1.00 0.00 C ATOM 372 OG SER A 27 7.081 -3.833 -0.065 1.00 0.00 O ATOM 0 H SER A 27 4.782 -4.808 -1.556 1.00 0.00 H new ATOM 0 HA SER A 27 3.912 -3.346 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.252 -2.117 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.043 -3.555 1.690 1.00 0.00 H new ATOM 0 HG SER A 27 7.944 -3.663 0.367 1.00 0.00 H new ATOM 378 N PHE A 28 3.501 -1.460 -0.758 1.00 0.00 N ATOM 379 CA PHE A 28 3.154 -0.397 -1.694 1.00 0.00 C ATOM 380 C PHE A 28 3.959 0.867 -1.404 1.00 0.00 C ATOM 381 O PHE A 28 4.036 1.316 -0.261 1.00 0.00 O ATOM 382 CB PHE A 28 1.657 -0.090 -1.618 1.00 0.00 C ATOM 383 CG PHE A 28 0.802 -1.096 -2.335 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.774 -1.140 -3.719 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.026 -1.997 -1.623 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.012 -2.065 -4.382 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.761 -2.924 -2.280 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.781 -2.957 -3.661 1.00 0.00 C ATOM 0 H PHE A 28 2.981 -1.436 0.119 1.00 0.00 H new ATOM 0 HA PHE A 28 3.397 -0.739 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.355 -0.049 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.475 0.898 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.373 -0.444 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.036 -1.975 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.024 -2.090 -5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.360 -3.622 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.397 -3.679 -4.176 1.00 0.00 H new ATOM 398 N GLU A 29 4.556 1.434 -2.448 1.00 0.00 N ATOM 399 CA GLU A 29 5.356 2.644 -2.305 1.00 0.00 C ATOM 400 C GLU A 29 4.670 3.832 -2.975 1.00 0.00 C ATOM 401 O GLU A 29 4.128 3.710 -4.074 1.00 0.00 O ATOM 402 CB GLU A 29 6.746 2.437 -2.909 1.00 0.00 C ATOM 403 CG GLU A 29 7.469 1.214 -2.369 1.00 0.00 C ATOM 404 CD GLU A 29 8.859 1.053 -2.952 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.086 1.532 -4.083 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.719 0.448 -2.279 1.00 0.00 O ATOM 0 H GLU A 29 4.501 1.075 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 29 5.458 2.858 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.653 2.345 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.352 3.322 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.541 1.289 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.881 0.323 -2.589 1.00 0.00 H new ATOM 413 N CYS A 30 4.697 4.978 -2.304 1.00 0.00 N ATOM 414 CA CYS A 30 4.077 6.188 -2.833 1.00 0.00 C ATOM 415 C CYS A 30 4.979 7.399 -2.618 1.00 0.00 C ATOM 416 O CYS A 30 5.401 7.682 -1.496 1.00 0.00 O ATOM 417 CB CYS A 30 2.720 6.423 -2.168 1.00 0.00 C ATOM 418 SG CYS A 30 1.753 7.756 -2.915 1.00 0.00 S ATOM 0 H CYS A 30 5.141 5.095 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 30 3.930 6.053 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.141 5.500 -2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.878 6.650 -1.114 1.00 0.00 H new ATOM 0 HG CYS A 30 0.902 8.214 -2.046 1.00 0.00 H new ATOM 424 N VAL A 31 5.273 8.111 -3.701 1.00 0.00 N ATOM 425 CA VAL A 31 6.125 9.292 -3.632 1.00 0.00 C ATOM 426 C VAL A 31 5.317 10.567 -3.849 1.00 0.00 C ATOM 427 O VAL A 31 4.255 10.543 -4.471 1.00 0.00 O ATOM 428 CB VAL A 31 7.256 9.230 -4.677 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.246 10.364 -4.459 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.956 7.881 -4.624 1.00 0.00 C ATOM 0 H VAL A 31 4.933 7.890 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 31 6.563 9.308 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 31 6.819 9.347 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.038 10.304 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.731 11.320 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.680 10.281 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.752 7.855 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.382 7.731 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.237 7.089 -4.834 1.00 0.00 H new ATOM 440 N LEU A 32 5.827 11.679 -3.331 1.00 0.00 N ATOM 441 CA LEU A 32 5.154 12.965 -3.468 1.00 0.00 C ATOM 442 C LEU A 32 6.043 13.972 -4.192 1.00 0.00 C ATOM 443 O LEU A 32 7.250 14.029 -3.957 1.00 0.00 O ATOM 444 CB LEU A 32 4.765 13.508 -2.092 1.00 0.00 C ATOM 445 CG LEU A 32 3.948 12.567 -1.205 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.685 13.205 0.150 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.638 12.197 -1.886 1.00 0.00 C ATOM 0 H LEU A 32 6.704 11.716 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 32 4.252 12.813 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.677 13.777 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.196 14.427 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 32 4.524 11.655 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.103 12.521 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.634 13.419 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.130 14.133 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.069 11.527 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.057 13.100 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.848 11.698 -2.832 1.00 0.00 H new ATOM 459 N SER A 33 5.437 14.764 -5.070 1.00 0.00 N ATOM 460 CA SER A 33 6.174 15.767 -5.829 1.00 0.00 C ATOM 461 C SER A 33 7.084 16.581 -4.914 1.00 0.00 C ATOM 462 O SER A 33 8.274 16.742 -5.186 1.00 0.00 O ATOM 463 CB SER A 33 5.205 16.697 -6.562 1.00 0.00 C ATOM 464 OG SER A 33 5.903 17.710 -7.265 1.00 0.00 O ATOM 0 H SER A 33 4.438 14.731 -5.273 1.00 0.00 H new ATOM 0 HA SER A 33 6.793 15.249 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.598 16.119 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.521 17.152 -5.846 1.00 0.00 H new ATOM 0 HG SER A 33 5.261 18.290 -7.726 1.00 0.00 H new ATOM 470 N HIS A 34 6.515 17.093 -3.827 1.00 0.00 N ATOM 471 CA HIS A 34 7.274 17.890 -2.870 1.00 0.00 C ATOM 472 C HIS A 34 7.656 17.056 -1.651 1.00 0.00 C ATOM 473 O HIS A 34 6.893 16.197 -1.211 1.00 0.00 O ATOM 474 CB HIS A 34 6.462 19.110 -2.434 1.00 0.00 C ATOM 475 CG HIS A 34 6.658 20.306 -3.314 1.00 0.00 C ATOM 476 ND1 HIS A 34 7.136 21.513 -2.849 1.00 0.00 N ATOM 477 CD2 HIS A 34 6.440 20.474 -4.640 1.00 0.00 C ATOM 478 CE1 HIS A 34 7.201 22.373 -3.850 1.00 0.00 C ATOM 479 NE2 HIS A 34 6.784 21.767 -4.948 1.00 0.00 N ATOM 0 H HIS A 34 5.531 16.970 -3.587 1.00 0.00 H new ATOM 0 HA HIS A 34 8.188 18.227 -3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.404 18.847 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.736 19.372 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.065 19.730 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.538 23.397 -3.782 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.727 22.191 -5.874 1.00 0.00 H new ATOM 547 N PRO A 40 1.031 13.663 8.171 1.00 0.00 N ATOM 548 CA PRO A 40 0.302 12.445 8.537 1.00 0.00 C ATOM 549 C PRO A 40 -0.072 11.605 7.320 1.00 0.00 C ATOM 550 O PRO A 40 -0.230 12.129 6.218 1.00 0.00 O ATOM 551 CB PRO A 40 -0.956 12.978 9.226 1.00 0.00 C ATOM 552 CG PRO A 40 -1.150 14.342 8.659 1.00 0.00 C ATOM 553 CD PRO A 40 0.229 14.878 8.390 1.00 0.00 C ATOM 0 HA PRO A 40 0.901 11.785 9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.817 12.340 9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.830 13.013 10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.739 14.304 7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.688 14.982 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.243 15.531 7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.604 15.461 9.231 1.00 0.00 H new ATOM 561 N ALA A 41 -0.213 10.300 7.528 1.00 0.00 N ATOM 562 CA ALA A 41 -0.572 9.389 6.449 1.00 0.00 C ATOM 563 C ALA A 41 -1.464 8.261 6.956 1.00 0.00 C ATOM 564 O ALA A 41 -1.066 7.486 7.825 1.00 0.00 O ATOM 565 CB ALA A 41 0.682 8.822 5.799 1.00 0.00 C ATOM 0 H ALA A 41 -0.084 9.850 8.434 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.133 9.952 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.400 8.143 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.281 9.637 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.264 8.280 6.544 1.00 0.00 H new ATOM 571 N MET A 42 -2.672 8.176 6.407 1.00 0.00 N ATOM 572 CA MET A 42 -3.620 7.142 6.805 1.00 0.00 C ATOM 573 C MET A 42 -3.798 6.112 5.694 1.00 0.00 C ATOM 574 O MET A 42 -4.691 6.238 4.856 1.00 0.00 O ATOM 575 CB MET A 42 -4.970 7.767 7.159 1.00 0.00 C ATOM 576 CG MET A 42 -6.011 6.753 7.606 1.00 0.00 C ATOM 577 SD MET A 42 -7.212 7.451 8.755 1.00 0.00 S ATOM 578 CE MET A 42 -8.745 7.103 7.897 1.00 0.00 C ATOM 0 H MET A 42 -3.017 8.810 5.686 1.00 0.00 H new ATOM 0 HA MET A 42 -3.221 6.636 7.684 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.825 8.500 7.952 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.350 8.307 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.534 6.365 6.732 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.510 5.908 8.079 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.564 7.070 8.615 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.937 7.886 7.163 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.668 6.141 7.390 1.00 0.00 H new ATOM 588 N TRP A 43 -2.944 5.095 5.693 1.00 0.00 N ATOM 589 CA TRP A 43 -3.008 4.044 4.684 1.00 0.00 C ATOM 590 C TRP A 43 -4.305 3.250 4.807 1.00 0.00 C ATOM 591 O TRP A 43 -4.567 2.625 5.834 1.00 0.00 O ATOM 592 CB TRP A 43 -1.807 3.106 4.818 1.00 0.00 C ATOM 593 CG TRP A 43 -0.582 3.606 4.114 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.411 4.378 4.646 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.223 3.370 2.748 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.367 4.636 3.693 1.00 0.00 N ATOM 597 CE2 TRP A 43 1.002 4.028 2.521 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.814 2.666 1.697 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.642 4.002 1.284 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.178 2.641 0.470 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.040 3.305 0.272 1.00 0.00 C ATOM 0 H TRP A 43 -2.199 4.976 6.380 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.984 4.516 3.702 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.579 2.968 5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.073 2.127 4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.441 4.733 5.665 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.211 5.190 3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.752 2.150 1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.580 4.514 1.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.627 2.101 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.513 3.266 -0.698 1.00 0.00 H new ATOM 612 N THR A 44 -5.113 3.279 3.752 1.00 0.00 N ATOM 613 CA THR A 44 -6.382 2.563 3.742 1.00 0.00 C ATOM 614 C THR A 44 -6.417 1.521 2.629 1.00 0.00 C ATOM 615 O THR A 44 -6.411 1.862 1.446 1.00 0.00 O ATOM 616 CB THR A 44 -7.570 3.528 3.564 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.294 4.455 2.509 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.849 4.286 4.853 1.00 0.00 C ATOM 0 H THR A 44 -4.911 3.791 2.893 1.00 0.00 H new ATOM 0 HA THR A 44 -6.471 2.063 4.707 1.00 0.00 H new ATOM 0 HB THR A 44 -8.452 2.941 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.667 4.050 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.692 4.961 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.088 3.578 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.968 4.863 5.134 1.00 0.00 H new ATOM 626 N VAL A 45 -6.456 0.250 3.016 1.00 0.00 N ATOM 627 CA VAL A 45 -6.493 -0.842 2.050 1.00 0.00 C ATOM 628 C VAL A 45 -7.745 -1.694 2.233 1.00 0.00 C ATOM 629 O VAL A 45 -7.766 -2.617 3.046 1.00 0.00 O ATOM 630 CB VAL A 45 -5.250 -1.742 2.173 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.175 -2.364 3.559 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.265 -2.819 1.097 1.00 0.00 C ATOM 0 H VAL A 45 -6.463 -0.049 3.991 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.507 -0.389 1.059 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.362 -1.127 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.290 -2.997 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.115 -1.575 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.066 -2.966 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.380 -3.447 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.159 -3.432 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.267 -2.350 0.113 1.00 0.00 H new ATOM 642 N GLY A 46 -8.787 -1.377 1.471 1.00 0.00 N ATOM 643 CA GLY A 46 -10.028 -2.123 1.563 1.00 0.00 C ATOM 644 C GLY A 46 -11.187 -1.265 2.030 1.00 0.00 C ATOM 645 O GLY A 46 -12.334 -1.500 1.653 1.00 0.00 O ATOM 0 H GLY A 46 -8.794 -0.616 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.265 -2.549 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.897 -2.957 2.252 1.00 0.00 H new ATOM 649 N GLY A 47 -10.887 -0.266 2.855 1.00 0.00 N ATOM 650 CA GLY A 47 -11.924 0.614 3.362 1.00 0.00 C ATOM 651 C GLY A 47 -11.751 0.926 4.835 1.00 0.00 C ATOM 652 O GLY A 47 -12.731 1.079 5.564 1.00 0.00 O ATOM 0 H GLY A 47 -9.945 -0.051 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.917 1.544 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.898 0.151 3.204 1.00 0.00 H new ATOM 656 N LYS A 48 -10.501 1.020 5.275 1.00 0.00 N ATOM 657 CA LYS A 48 -10.201 1.315 6.671 1.00 0.00 C ATOM 658 C LYS A 48 -8.703 1.526 6.873 1.00 0.00 C ATOM 659 O LYS A 48 -7.881 0.905 6.198 1.00 0.00 O ATOM 660 CB LYS A 48 -10.692 0.179 7.571 1.00 0.00 C ATOM 661 CG LYS A 48 -10.274 -1.200 7.093 1.00 0.00 C ATOM 662 CD LYS A 48 -10.967 -2.298 7.882 1.00 0.00 C ATOM 663 CE LYS A 48 -12.295 -2.686 7.251 1.00 0.00 C ATOM 664 NZ LYS A 48 -13.156 -3.450 8.195 1.00 0.00 N ATOM 0 H LYS A 48 -9.679 0.896 4.684 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.720 2.235 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.311 0.336 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.780 0.219 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.511 -1.306 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.194 -1.308 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.319 -3.173 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.134 -1.962 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.820 -1.787 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.112 -3.286 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.052 -3.696 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.666 -4.321 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.352 -2.868 9.034 1.00 0.00 H new ATOM 678 N THR A 49 -8.355 2.406 7.807 1.00 0.00 N ATOM 679 CA THR A 49 -6.957 2.699 8.097 1.00 0.00 C ATOM 680 C THR A 49 -6.255 1.486 8.698 1.00 0.00 C ATOM 681 O THR A 49 -6.894 0.614 9.286 1.00 0.00 O ATOM 682 CB THR A 49 -6.822 3.888 9.067 1.00 0.00 C ATOM 683 OG1 THR A 49 -5.446 4.085 9.412 1.00 0.00 O ATOM 684 CG2 THR A 49 -7.639 3.653 10.329 1.00 0.00 C ATOM 0 H THR A 49 -9.022 2.928 8.375 1.00 0.00 H new ATOM 0 HA THR A 49 -6.485 2.957 7.149 1.00 0.00 H new ATOM 0 HB THR A 49 -7.202 4.780 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.348 4.932 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.528 4.506 10.999 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.690 3.533 10.065 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.285 2.751 10.829 1.00 0.00 H new ATOM 692 N VAL A 50 -4.935 1.437 8.547 1.00 0.00 N ATOM 693 CA VAL A 50 -4.146 0.332 9.076 1.00 0.00 C ATOM 694 C VAL A 50 -2.901 0.840 9.795 1.00 0.00 C ATOM 695 O VAL A 50 -2.501 1.992 9.627 1.00 0.00 O ATOM 696 CB VAL A 50 -3.719 -0.639 7.959 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.934 -1.332 7.362 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.934 0.098 6.884 1.00 0.00 C ATOM 0 H VAL A 50 -4.390 2.150 8.062 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.781 -0.198 9.785 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.071 -1.401 8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.613 -2.014 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.451 -1.893 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.609 -0.586 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.640 -0.603 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.556 0.882 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.043 0.544 7.325 1.00 0.00 H new ATOM 772 N PHE A 56 0.389 -4.625 9.064 1.00 0.00 N ATOM 773 CA PHE A 56 0.467 -3.384 8.302 1.00 0.00 C ATOM 774 C PHE A 56 1.541 -2.462 8.872 1.00 0.00 C ATOM 775 O PHE A 56 1.314 -1.768 9.862 1.00 0.00 O ATOM 776 CB PHE A 56 -0.887 -2.673 8.305 1.00 0.00 C ATOM 777 CG PHE A 56 -1.932 -3.368 7.480 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.910 -3.283 6.097 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.935 -4.106 8.087 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.871 -3.921 5.335 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.898 -4.746 7.330 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.865 -4.654 5.952 1.00 0.00 C ATOM 0 HA PHE A 56 0.736 -3.633 7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.242 -2.590 9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.756 -1.658 7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.134 -2.712 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.965 -4.182 9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.844 -3.846 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.675 -5.317 7.815 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.616 -5.155 5.358 1.00 0.00 H new ATOM 792 N GLN A 57 2.710 -2.462 8.239 1.00 0.00 N ATOM 793 CA GLN A 57 3.819 -1.627 8.684 1.00 0.00 C ATOM 794 C GLN A 57 3.952 -0.387 7.807 1.00 0.00 C ATOM 795 O GLN A 57 4.539 -0.439 6.726 1.00 0.00 O ATOM 796 CB GLN A 57 5.125 -2.423 8.664 1.00 0.00 C ATOM 797 CG GLN A 57 6.208 -1.837 9.554 1.00 0.00 C ATOM 798 CD GLN A 57 6.020 -2.195 11.016 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.876 -3.366 11.366 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.021 -1.185 11.878 1.00 0.00 N ATOM 0 H GLN A 57 2.913 -3.031 7.417 1.00 0.00 H new ATOM 0 HA GLN A 57 3.613 -1.307 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.922 -3.446 8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.495 -2.472 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.181 -2.195 9.219 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.213 -0.752 9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.144 -0.229 11.544 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.899 -1.365 12.875 1.00 0.00 H new ATOM 809 N ALA A 58 3.403 0.728 8.278 1.00 0.00 N ATOM 810 CA ALA A 58 3.462 1.982 7.537 1.00 0.00 C ATOM 811 C ALA A 58 4.736 2.753 7.865 1.00 0.00 C ATOM 812 O ALA A 58 4.766 3.556 8.798 1.00 0.00 O ATOM 813 CB ALA A 58 2.236 2.831 7.839 1.00 0.00 C ATOM 0 H ALA A 58 2.912 0.788 9.170 1.00 0.00 H new ATOM 0 HA ALA A 58 3.474 1.747 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.293 3.764 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.337 2.288 7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.199 3.050 8.906 1.00 0.00 H new ATOM 819 N THR A 59 5.788 2.504 7.091 1.00 0.00 N ATOM 820 CA THR A 59 7.066 3.173 7.300 1.00 0.00 C ATOM 821 C THR A 59 7.134 4.483 6.523 1.00 0.00 C ATOM 822 O THR A 59 6.472 4.642 5.497 1.00 0.00 O ATOM 823 CB THR A 59 8.245 2.277 6.878 1.00 0.00 C ATOM 824 OG1 THR A 59 8.179 2.009 5.473 1.00 0.00 O ATOM 825 CG2 THR A 59 8.233 0.967 7.650 1.00 0.00 C ATOM 0 H THR A 59 5.780 1.844 6.314 1.00 0.00 H new ATOM 0 HA THR A 59 7.143 3.382 8.367 1.00 0.00 H new ATOM 0 HB THR A 59 9.172 2.805 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.267 1.744 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.075 0.351 7.335 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.314 1.173 8.717 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.301 0.437 7.452 1.00 0.00 H new ATOM 833 N ARG A 60 7.939 5.418 7.017 1.00 0.00 N ATOM 834 CA ARG A 60 8.093 6.714 6.368 1.00 0.00 C ATOM 835 C ARG A 60 9.553 6.973 6.008 1.00 0.00 C ATOM 836 O ARG A 60 10.381 7.227 6.882 1.00 0.00 O ATOM 837 CB ARG A 60 7.576 7.829 7.279 1.00 0.00 C ATOM 838 CG ARG A 60 7.739 9.221 6.691 1.00 0.00 C ATOM 839 CD ARG A 60 7.098 10.278 7.576 1.00 0.00 C ATOM 840 NE ARG A 60 5.670 10.039 7.767 1.00 0.00 N ATOM 841 CZ ARG A 60 5.178 9.230 8.699 1.00 0.00 C ATOM 842 NH1 ARG A 60 5.995 8.587 9.521 1.00 0.00 N ATOM 843 NH2 ARG A 60 3.866 9.064 8.811 1.00 0.00 N ATOM 0 H ARG A 60 8.495 5.302 7.865 1.00 0.00 H new ATOM 0 HA ARG A 60 7.507 6.703 5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.521 7.654 7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.104 7.782 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.799 9.443 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.288 9.253 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.596 10.290 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.244 11.262 7.130 1.00 0.00 H new ATOM 0 HE ARG A 60 5.014 10.520 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.004 8.713 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.615 7.966 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.234 9.558 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.490 8.443 9.527 1.00 0.00 H new ATOM 857 N GLN A 61 9.860 6.904 4.717 1.00 0.00 N ATOM 858 CA GLN A 61 11.220 7.130 4.243 1.00 0.00 C ATOM 859 C GLN A 61 11.294 8.383 3.377 1.00 0.00 C ATOM 860 O GLN A 61 10.751 8.420 2.274 1.00 0.00 O ATOM 861 CB GLN A 61 11.714 5.918 3.451 1.00 0.00 C ATOM 862 CG GLN A 61 12.099 4.735 4.325 1.00 0.00 C ATOM 863 CD GLN A 61 13.167 5.086 5.343 1.00 0.00 C ATOM 864 OE1 GLN A 61 12.879 5.250 6.529 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.407 5.202 4.885 1.00 0.00 N ATOM 0 H GLN A 61 9.186 6.694 3.981 1.00 0.00 H new ATOM 0 HA GLN A 61 11.862 7.274 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.934 5.607 2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.576 6.212 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.214 4.368 4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.457 3.922 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.600 5.057 3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.167 5.436 5.524 1.00 0.00 H new ATOM 874 N GLY A 62 11.971 9.408 3.885 1.00 0.00 N ATOM 875 CA GLY A 62 12.103 10.650 3.144 1.00 0.00 C ATOM 876 C GLY A 62 10.792 11.103 2.533 1.00 0.00 C ATOM 877 O GLY A 62 9.756 11.097 3.198 1.00 0.00 O ATOM 0 H GLY A 62 12.430 9.401 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.478 11.428 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.843 10.521 2.354 1.00 0.00 H new ATOM 881 N ARG A 63 10.838 11.498 1.265 1.00 0.00 N ATOM 882 CA ARG A 63 9.644 11.959 0.566 1.00 0.00 C ATOM 883 C ARG A 63 8.864 10.783 -0.012 1.00 0.00 C ATOM 884 O ARG A 63 8.100 10.938 -0.965 1.00 0.00 O ATOM 885 CB ARG A 63 10.027 12.930 -0.553 1.00 0.00 C ATOM 886 CG ARG A 63 10.673 12.255 -1.751 1.00 0.00 C ATOM 887 CD ARG A 63 10.733 13.187 -2.951 1.00 0.00 C ATOM 888 NE ARG A 63 11.812 12.830 -3.868 1.00 0.00 N ATOM 889 CZ ARG A 63 13.097 13.055 -3.615 1.00 0.00 C ATOM 890 NH1 ARG A 63 13.461 13.633 -2.479 1.00 0.00 N ATOM 891 NH2 ARG A 63 14.020 12.700 -4.500 1.00 0.00 N ATOM 0 H ARG A 63 11.688 11.508 0.701 1.00 0.00 H new ATOM 0 HA ARG A 63 9.008 12.475 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.134 13.460 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.713 13.678 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.681 11.933 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.110 11.359 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.781 13.156 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.874 14.212 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 63 11.566 12.383 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.754 13.906 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.448 13.804 -2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.743 12.254 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.006 12.873 -4.306 1.00 0.00 H new ATOM 905 N LYS A 64 9.060 9.605 0.572 1.00 0.00 N ATOM 906 CA LYS A 64 8.375 8.401 0.117 1.00 0.00 C ATOM 907 C LYS A 64 7.837 7.602 1.299 1.00 0.00 C ATOM 908 O LYS A 64 8.294 7.765 2.431 1.00 0.00 O ATOM 909 CB LYS A 64 9.324 7.532 -0.711 1.00 0.00 C ATOM 910 CG LYS A 64 8.799 6.129 -0.963 1.00 0.00 C ATOM 911 CD LYS A 64 9.637 5.398 -1.999 1.00 0.00 C ATOM 912 CE LYS A 64 10.978 4.965 -1.427 1.00 0.00 C ATOM 913 NZ LYS A 64 10.907 3.612 -0.809 1.00 0.00 N ATOM 0 H LYS A 64 9.688 9.459 1.362 1.00 0.00 H new ATOM 0 HA LYS A 64 7.534 8.705 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.508 8.020 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.283 7.465 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.800 5.566 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.764 6.182 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.094 4.524 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.800 6.046 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.727 4.964 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.305 5.689 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.395 3.624 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.911 3.346 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.365 2.920 -1.436 1.00 0.00 H new ATOM 927 N TYR A 65 6.866 6.737 1.030 1.00 0.00 N ATOM 928 CA TYR A 65 6.265 5.912 2.072 1.00 0.00 C ATOM 929 C TYR A 65 6.167 4.457 1.626 1.00 0.00 C ATOM 930 O TYR A 65 6.109 4.164 0.431 1.00 0.00 O ATOM 931 CB TYR A 65 4.876 6.441 2.432 1.00 0.00 C ATOM 932 CG TYR A 65 4.864 7.907 2.804 1.00 0.00 C ATOM 933 CD1 TYR A 65 5.191 8.883 1.871 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.527 8.315 4.089 1.00 0.00 C ATOM 935 CE1 TYR A 65 5.182 10.223 2.206 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.514 9.653 4.433 1.00 0.00 C ATOM 937 CZ TYR A 65 4.842 10.603 3.488 1.00 0.00 C ATOM 938 OH TYR A 65 4.832 11.937 3.827 1.00 0.00 O ATOM 0 H TYR A 65 6.478 6.588 0.099 1.00 0.00 H new ATOM 0 HA TYR A 65 6.905 5.961 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.206 6.284 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.480 5.860 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.457 8.589 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.271 7.574 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.440 10.969 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.249 9.953 5.436 1.00 0.00 H new ATOM 0 HH TYR A 65 4.570 12.034 4.766 1.00 0.00 H new ATOM 948 N ILE A 66 6.149 3.548 2.595 1.00 0.00 N ATOM 949 CA ILE A 66 6.057 2.123 2.304 1.00 0.00 C ATOM 950 C ILE A 66 5.199 1.405 3.340 1.00 0.00 C ATOM 951 O ILE A 66 5.495 1.435 4.536 1.00 0.00 O ATOM 952 CB ILE A 66 7.449 1.465 2.261 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.378 2.247 1.330 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.336 0.016 1.813 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.142 3.351 2.026 1.00 0.00 C ATOM 0 H ILE A 66 6.197 3.773 3.589 1.00 0.00 H new ATOM 0 HA ILE A 66 5.591 2.031 1.323 1.00 0.00 H new ATOM 0 HB ILE A 66 7.874 1.482 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.088 1.556 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.789 2.678 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.328 -0.435 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.705 -0.533 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.894 -0.024 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.780 3.862 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.439 4.063 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.758 2.924 2.817 1.00 0.00 H new ATOM 967 N LEU A 67 4.137 0.757 2.875 1.00 0.00 N ATOM 968 CA LEU A 67 3.236 0.028 3.761 1.00 0.00 C ATOM 969 C LEU A 67 3.360 -1.477 3.545 1.00 0.00 C ATOM 970 O LEU A 67 2.704 -2.045 2.672 1.00 0.00 O ATOM 971 CB LEU A 67 1.790 0.471 3.527 1.00 0.00 C ATOM 972 CG LEU A 67 0.713 -0.359 4.226 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.512 0.122 5.655 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.595 -0.296 3.451 1.00 0.00 C ATOM 0 H LEU A 67 3.878 0.721 1.889 1.00 0.00 H new ATOM 0 HA LEU A 67 3.517 0.253 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.691 1.506 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.595 0.454 2.455 1.00 0.00 H new ATOM 0 HG LEU A 67 1.044 -1.397 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.258 -0.480 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.447 0.024 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.203 1.167 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.350 -0.892 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.931 0.739 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.442 -0.689 2.446 1.00 0.00 H new ATOM 986 N VAL A 68 4.203 -2.117 4.348 1.00 0.00 N ATOM 987 CA VAL A 68 4.411 -3.557 4.248 1.00 0.00 C ATOM 988 C VAL A 68 3.149 -4.322 4.630 1.00 0.00 C ATOM 989 O VAL A 68 2.634 -4.177 5.739 1.00 0.00 O ATOM 990 CB VAL A 68 5.572 -4.021 5.148 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.817 -5.512 4.977 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.832 -3.226 4.842 1.00 0.00 C ATOM 0 H VAL A 68 4.754 -1.661 5.076 1.00 0.00 H new ATOM 0 HA VAL A 68 4.661 -3.769 3.208 1.00 0.00 H new ATOM 0 HB VAL A 68 5.299 -3.840 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.641 -5.822 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.917 -6.062 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.070 -5.722 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.642 -3.566 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.111 -3.374 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.646 -2.167 5.021 1.00 0.00 H new ATOM 1002 N VAL A 69 2.655 -5.138 3.704 1.00 0.00 N ATOM 1003 CA VAL A 69 1.453 -5.928 3.945 1.00 0.00 C ATOM 1004 C VAL A 69 1.794 -7.400 4.144 1.00 0.00 C ATOM 1005 O VAL A 69 2.140 -8.102 3.193 1.00 0.00 O ATOM 1006 CB VAL A 69 0.453 -5.797 2.780 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.672 -6.810 2.926 1.00 0.00 C ATOM 1008 CG2 VAL A 69 -0.099 -4.381 2.710 1.00 0.00 C ATOM 0 H VAL A 69 3.068 -5.269 2.781 1.00 0.00 H new ATOM 0 HA VAL A 69 0.994 -5.538 4.854 1.00 0.00 H new ATOM 0 HB VAL A 69 0.978 -6.005 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.368 -6.703 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.257 -7.818 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.198 -6.637 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.804 -4.306 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.609 -4.143 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.720 -3.679 2.555 1.00 0.00 H new ATOM 1018 N ARG A 70 1.694 -7.862 5.386 1.00 0.00 N ATOM 1019 CA ARG A 70 1.993 -9.252 5.710 1.00 0.00 C ATOM 1020 C ARG A 70 0.714 -10.082 5.773 1.00 0.00 C ATOM 1021 O ARG A 70 -0.369 -9.553 6.019 1.00 0.00 O ATOM 1022 CB ARG A 70 2.735 -9.338 7.045 1.00 0.00 C ATOM 1023 CG ARG A 70 3.834 -8.299 7.199 1.00 0.00 C ATOM 1024 CD ARG A 70 5.114 -8.735 6.502 1.00 0.00 C ATOM 1025 NE ARG A 70 5.764 -9.844 7.194 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.869 -10.437 6.756 1.00 0.00 C ATOM 1027 NH1 ARG A 70 7.445 -10.029 5.634 1.00 0.00 N ATOM 1028 NH2 ARG A 70 7.401 -11.441 7.442 1.00 0.00 N ATOM 0 H ARG A 70 1.408 -7.295 6.184 1.00 0.00 H new ATOM 0 HA ARG A 70 2.629 -9.654 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.018 -9.220 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.170 -10.332 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.498 -7.348 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.033 -8.133 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.886 -9.031 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.801 -7.891 6.445 1.00 0.00 H new ATOM 0 HE ARG A 70 5.347 -10.182 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.040 -9.257 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.293 -10.487 5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.961 -11.758 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.249 -11.896 7.105 1.00 0.00 H new ATOM 1042 N GLU A 71 0.850 -11.386 5.549 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.295 -12.288 5.578 1.00 0.00 C ATOM 1044 C GLU A 71 -1.388 -11.813 4.625 1.00 0.00 C ATOM 1045 O GLU A 71 -2.543 -11.655 5.018 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.853 -12.394 6.999 1.00 0.00 C ATOM 1047 CG GLU A 71 -0.011 -13.260 7.921 1.00 0.00 C ATOM 1048 CD GLU A 71 0.029 -14.711 7.482 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -0.853 -15.117 6.698 1.00 0.00 O ATOM 1050 OE2 GLU A 71 0.942 -15.440 7.924 1.00 0.00 O ATOM 0 H GLU A 71 1.740 -11.840 5.346 1.00 0.00 H new ATOM 0 HA GLU A 71 0.043 -13.272 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.931 -11.394 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.863 -12.801 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.005 -12.867 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.410 -13.201 8.934 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.013 -11.586 3.371 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.960 -11.130 2.361 1.00 0.00 C ATOM 1059 C ALA A 72 -3.127 -12.101 2.225 1.00 0.00 C ATOM 1060 O ALA A 72 -2.930 -13.301 2.036 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.259 -10.953 1.022 1.00 0.00 C ATOM 0 H ALA A 72 -0.060 -11.710 3.030 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.358 -10.167 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.978 -10.612 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.463 -10.215 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.833 -11.905 0.706 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.344 -11.575 2.322 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.543 -12.395 2.208 1.00 0.00 C ATOM 1069 C ALA A 73 -6.372 -11.991 0.994 1.00 0.00 C ATOM 1070 O ALA A 73 -6.304 -10.858 0.515 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.376 -12.292 3.477 1.00 0.00 C ATOM 0 H ALA A 73 -4.525 -10.584 2.479 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.232 -13.431 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.269 -12.910 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.788 -12.638 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.669 -11.254 3.637 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.174 -12.936 0.482 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.032 -12.701 -0.683 1.00 0.00 C ATOM 1079 C PRO A 74 -9.185 -11.753 -0.372 1.00 0.00 C ATOM 1080 O PRO A 74 -9.963 -11.395 -1.256 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.563 -14.096 -1.020 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.501 -14.846 0.266 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.305 -14.308 1.002 1.00 0.00 C ATOM 0 HA PRO A 74 -7.488 -12.228 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.583 -14.050 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.956 -14.576 -1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.413 -14.703 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.401 -15.917 0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.460 -14.316 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.411 -14.900 0.804 1.00 0.00 H new ATOM 1091 N SER A 75 -9.289 -11.349 0.891 1.00 0.00 N ATOM 1092 CA SER A 75 -10.350 -10.445 1.319 1.00 0.00 C ATOM 1093 C SER A 75 -9.848 -9.005 1.372 1.00 0.00 C ATOM 1094 O SER A 75 -10.600 -8.064 1.119 1.00 0.00 O ATOM 1095 CB SER A 75 -10.882 -10.863 2.691 1.00 0.00 C ATOM 1096 OG SER A 75 -11.739 -11.987 2.585 1.00 0.00 O ATOM 0 H SER A 75 -8.652 -11.634 1.635 1.00 0.00 H new ATOM 0 HA SER A 75 -11.159 -10.503 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.048 -11.099 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.422 -10.031 3.144 1.00 0.00 H new ATOM 0 HG SER A 75 -12.064 -12.235 3.475 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.572 -8.843 1.704 1.00 0.00 N ATOM 1103 CA ASP A 76 -7.967 -7.519 1.791 1.00 0.00 C ATOM 1104 C ASP A 76 -7.868 -6.875 0.411 1.00 0.00 C ATOM 1105 O ASP A 76 -7.900 -5.652 0.282 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.579 -7.609 2.425 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.619 -8.184 3.828 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.497 -7.768 4.614 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -5.775 -9.049 4.139 1.00 0.00 O ATOM 0 H ASP A 76 -7.937 -9.612 1.917 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.605 -6.896 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.937 -8.229 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.132 -6.616 2.455 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.747 -7.708 -0.618 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.645 -7.221 -1.987 1.00 0.00 C ATOM 1116 C ALA A 77 -8.832 -6.334 -2.345 1.00 0.00 C ATOM 1117 O ALA A 77 -9.670 -6.030 -1.497 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.546 -8.389 -2.957 1.00 0.00 C ATOM 0 H ALA A 77 -7.717 -8.724 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.739 -6.620 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.470 -8.010 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.662 -8.982 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.435 -9.013 -2.867 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.898 -5.920 -3.607 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.986 -5.070 -4.054 1.00 0.00 C ATOM 1126 C GLY A 78 -9.509 -3.702 -4.498 1.00 0.00 C ATOM 1127 O GLY A 78 -9.587 -3.364 -5.679 1.00 0.00 O ATOM 0 H GLY A 78 -8.217 -6.158 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.506 -5.555 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.708 -4.955 -3.246 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.015 -2.912 -3.550 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.526 -1.572 -3.851 1.00 0.00 C ATOM 1133 C GLU A 79 -7.659 -1.040 -2.713 1.00 0.00 C ATOM 1134 O GLU A 79 -7.844 -1.408 -1.553 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.698 -0.621 -4.100 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.309 0.642 -4.849 1.00 0.00 C ATOM 1137 CD GLU A 79 -9.284 0.445 -6.352 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -9.732 -0.624 -6.817 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -8.816 1.359 -7.064 1.00 0.00 O ATOM 0 H GLU A 79 -8.943 -3.177 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.916 -1.630 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.467 -1.146 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.140 -0.344 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.012 1.437 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.326 0.971 -4.513 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.711 -0.174 -3.054 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.815 0.409 -2.063 1.00 0.00 C ATOM 1148 C VAL A 80 -5.822 1.932 -2.143 1.00 0.00 C ATOM 1149 O VAL A 80 -5.328 2.515 -3.108 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.371 -0.097 -2.244 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.416 0.685 -1.355 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.289 -1.587 -1.949 1.00 0.00 C ATOM 0 H VAL A 80 -6.543 0.140 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.181 0.098 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.075 0.062 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.401 0.314 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.456 1.742 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.706 0.561 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.262 -1.928 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.603 -1.772 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.943 -2.130 -2.632 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.385 2.570 -1.122 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.455 4.026 -1.076 1.00 0.00 C ATOM 1164 C VAL A 81 -5.480 4.591 -0.050 1.00 0.00 C ATOM 1165 O VAL A 81 -5.358 4.069 1.059 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.878 4.509 -0.736 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.977 6.020 -0.876 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.901 3.815 -1.623 1.00 0.00 C ATOM 0 H VAL A 81 -6.799 2.102 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.184 4.387 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.093 4.250 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.989 6.342 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.271 6.496 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.742 6.307 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.901 4.168 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.690 4.042 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.846 2.738 -1.468 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.788 5.661 -0.426 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.822 6.298 0.462 1.00 0.00 C ATOM 1180 C PHE A 82 -4.069 7.801 0.546 1.00 0.00 C ATOM 1181 O PHE A 82 -3.799 8.539 -0.402 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.396 6.030 -0.024 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.412 7.084 0.394 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.027 7.204 1.720 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.871 7.955 -0.537 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.121 8.172 2.109 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.035 8.926 -0.155 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.410 9.035 1.170 1.00 0.00 C ATOM 0 H PHE A 82 -4.878 6.106 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.945 5.871 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.066 5.064 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.399 5.958 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.440 6.533 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.161 7.874 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.172 8.254 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.449 9.599 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.117 9.794 1.471 1.00 0.00 H new ATOM 1198 N SER A 83 -4.583 8.248 1.687 1.00 0.00 N ATOM 1199 CA SER A 83 -4.871 9.662 1.894 1.00 0.00 C ATOM 1200 C SER A 83 -3.673 10.375 2.513 1.00 0.00 C ATOM 1201 O SER A 83 -2.945 9.802 3.324 1.00 0.00 O ATOM 1202 CB SER A 83 -6.098 9.829 2.792 1.00 0.00 C ATOM 1203 OG SER A 83 -6.528 11.178 2.824 1.00 0.00 O ATOM 0 H SER A 83 -4.809 7.651 2.483 1.00 0.00 H new ATOM 0 HA SER A 83 -5.077 10.111 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.907 9.195 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.861 9.496 3.802 1.00 0.00 H new ATOM 0 HG SER A 83 -7.314 11.257 3.403 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.474 11.631 2.125 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.365 12.425 2.641 1.00 0.00 C ATOM 1211 C VAL A 84 -2.508 13.890 2.247 1.00 0.00 C ATOM 1212 O VAL A 84 -2.711 14.212 1.076 1.00 0.00 O ATOM 1213 CB VAL A 84 -1.011 11.896 2.131 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.804 12.279 0.673 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.125 12.422 2.995 1.00 0.00 C ATOM 0 H VAL A 84 -4.067 12.121 1.455 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.393 12.340 3.727 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.016 10.808 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.157 11.897 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.602 11.850 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.819 13.365 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.074 12.039 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.134 13.511 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.019 12.093 4.024 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.400 14.776 3.232 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.517 16.208 2.989 1.00 0.00 C ATOM 1227 C ARG A 85 -3.607 16.497 1.960 1.00 0.00 C ATOM 1228 O ARG A 85 -3.477 17.406 1.141 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.182 16.776 2.505 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.702 16.173 1.195 1.00 0.00 C ATOM 1231 CD ARG A 85 0.284 17.090 0.488 1.00 0.00 C ATOM 1232 NE ARG A 85 1.641 16.939 1.007 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.625 17.794 0.751 1.00 0.00 C ATOM 1234 NH1 ARG A 85 2.404 18.855 -0.012 1.00 0.00 N ATOM 1235 NH2 ARG A 85 3.833 17.588 1.259 1.00 0.00 N ATOM 0 H ARG A 85 -2.231 14.526 4.207 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.790 16.689 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.278 17.855 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.426 16.607 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.230 15.209 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.557 15.985 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.278 16.874 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.036 18.125 0.605 1.00 0.00 H new ATOM 0 HE ARG A 85 1.844 16.133 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.476 19.017 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.161 19.510 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.007 16.773 1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.588 18.245 1.062 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.682 15.716 2.009 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.778 15.903 1.077 1.00 0.00 C ATOM 1251 C GLY A 86 -5.684 14.979 -0.121 1.00 0.00 C ATOM 1252 O GLY A 86 -6.700 14.494 -0.621 1.00 0.00 O ATOM 0 H GLY A 86 -4.813 14.957 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.723 15.730 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.787 16.938 0.734 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.463 14.737 -0.585 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.240 13.866 -1.734 1.00 0.00 C ATOM 1258 C LEU A 87 -4.690 12.440 -1.432 1.00 0.00 C ATOM 1259 O LEU A 87 -4.612 11.980 -0.292 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.762 13.874 -2.125 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.297 15.061 -2.970 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.780 15.159 -2.965 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.821 14.940 -4.394 1.00 0.00 C ATOM 0 H LEU A 87 -3.612 15.131 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.832 14.245 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.166 13.847 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.547 12.957 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.700 15.974 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.468 16.009 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.427 15.294 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.355 14.244 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.480 15.793 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.448 14.019 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.911 14.921 -4.380 1.00 0.00 H new ATOM 1275 N THR A 88 -5.161 11.743 -2.462 1.00 0.00 N ATOM 1276 CA THR A 88 -5.622 10.369 -2.307 1.00 0.00 C ATOM 1277 C THR A 88 -5.252 9.525 -3.522 1.00 0.00 C ATOM 1278 O THR A 88 -5.694 9.799 -4.638 1.00 0.00 O ATOM 1279 CB THR A 88 -7.147 10.308 -2.100 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.591 11.469 -1.388 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.539 9.056 -1.331 1.00 0.00 C ATOM 0 H THR A 88 -5.233 12.108 -3.412 1.00 0.00 H new ATOM 0 HA THR A 88 -5.126 9.967 -1.423 1.00 0.00 H new ATOM 0 HB THR A 88 -7.624 10.278 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.562 11.424 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.621 9.035 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.225 8.173 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.053 9.061 -0.356 1.00 0.00 H new ATOM 1289 N SER A 89 -4.439 8.498 -3.297 1.00 0.00 N ATOM 1290 CA SER A 89 -4.007 7.615 -4.375 1.00 0.00 C ATOM 1291 C SER A 89 -4.701 6.260 -4.278 1.00 0.00 C ATOM 1292 O SER A 89 -4.633 5.586 -3.251 1.00 0.00 O ATOM 1293 CB SER A 89 -2.489 7.427 -4.331 1.00 0.00 C ATOM 1294 OG SER A 89 -2.051 6.575 -5.375 1.00 0.00 O ATOM 0 H SER A 89 -4.066 8.257 -2.379 1.00 0.00 H new ATOM 0 HA SER A 89 -4.282 8.078 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.997 8.396 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.199 7.006 -3.368 1.00 0.00 H new ATOM 0 HG SER A 89 -1.695 7.116 -6.111 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.371 5.867 -5.357 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.078 4.593 -5.397 1.00 0.00 C ATOM 1302 C LYS A 90 -5.289 3.558 -6.193 1.00 0.00 C ATOM 1303 O LYS A 90 -4.412 3.906 -6.983 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.466 4.776 -6.014 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.302 5.842 -5.326 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.568 6.148 -6.107 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.385 7.243 -5.437 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.946 8.601 -5.862 1.00 0.00 N ATOM 0 H LYS A 90 -5.439 6.414 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.186 4.234 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.355 5.036 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.000 3.826 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.565 5.508 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.713 6.752 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.307 6.455 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.171 5.244 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.439 7.110 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.293 7.154 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.527 9.319 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.947 8.738 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.057 8.695 -6.892 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.608 2.286 -5.981 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.931 1.201 -6.681 1.00 0.00 C ATOM 1324 C ALA A 91 -5.718 -0.100 -6.569 1.00 0.00 C ATOM 1325 O ALA A 91 -6.747 -0.158 -5.895 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.523 1.017 -6.135 1.00 0.00 C ATOM 0 H ALA A 91 -6.331 1.981 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.867 1.467 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.030 0.204 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.956 1.938 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.573 0.778 -5.073 1.00 0.00 H new ATOM 1332 N SER A 92 -5.229 -1.142 -7.233 1.00 0.00 N ATOM 1333 CA SER A 92 -5.889 -2.442 -7.211 1.00 0.00 C ATOM 1334 C SER A 92 -4.947 -3.521 -6.685 1.00 0.00 C ATOM 1335 O SER A 92 -3.835 -3.689 -7.186 1.00 0.00 O ATOM 1336 CB SER A 92 -6.377 -2.813 -8.613 1.00 0.00 C ATOM 1337 OG SER A 92 -7.660 -2.269 -8.867 1.00 0.00 O ATOM 0 H SER A 92 -4.377 -1.111 -7.793 1.00 0.00 H new ATOM 0 HA SER A 92 -6.746 -2.376 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.669 -2.446 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.412 -3.898 -8.714 1.00 0.00 H new ATOM 0 HG SER A 92 -7.949 -2.519 -9.770 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.401 -4.250 -5.672 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.600 -5.314 -5.076 1.00 0.00 C ATOM 1345 C LEU A 93 -5.108 -6.686 -5.510 1.00 0.00 C ATOM 1346 O LEU A 93 -6.277 -7.017 -5.309 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.628 -5.207 -3.551 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.971 -6.356 -2.785 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.522 -6.525 -3.216 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.058 -6.116 -1.285 1.00 0.00 C ATOM 0 H LEU A 93 -6.319 -4.124 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.573 -5.200 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.137 -4.277 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.667 -5.131 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.508 -7.276 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.071 -7.347 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.483 -6.744 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.973 -5.606 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.585 -6.944 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.547 -5.186 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.104 -6.046 -0.988 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.222 -7.479 -6.103 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.580 -8.815 -6.561 1.00 0.00 C ATOM 1364 C ILE A 94 -3.973 -9.886 -5.661 1.00 0.00 C ATOM 1365 O ILE A 94 -2.785 -9.841 -5.339 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.119 -9.056 -8.010 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.668 -7.964 -8.931 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.563 -10.431 -8.486 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.800 -7.702 -10.142 1.00 0.00 C ATOM 0 H ILE A 94 -3.251 -7.219 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.667 -8.882 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.030 -9.017 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.666 -8.249 -9.264 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.773 -7.040 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.229 -10.586 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.128 -11.196 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.650 -10.497 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.250 -6.917 -10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.808 -7.386 -9.818 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.715 -8.614 -10.733 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.794 -10.851 -5.261 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.338 -11.936 -4.401 1.00 0.00 C ATOM 1383 C VAL A 95 -4.918 -13.273 -4.848 1.00 0.00 C ATOM 1384 O VAL A 95 -6.130 -13.482 -4.801 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.723 -11.687 -2.930 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.484 -12.937 -2.096 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -3.948 -10.505 -2.369 1.00 0.00 C ATOM 0 H VAL A 95 -5.779 -10.904 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.252 -11.969 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.786 -11.448 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.762 -12.742 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.089 -13.756 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.430 -13.210 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.233 -10.344 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.879 -10.711 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.176 -9.612 -2.950 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.044 -14.176 -5.280 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.470 -15.494 -5.736 1.00 0.00 C ATOM 1399 C ARG A 96 -4.181 -16.555 -4.678 1.00 0.00 C ATOM 1400 O ARG A 96 -3.043 -16.710 -4.237 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.764 -15.857 -7.044 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.029 -14.873 -8.172 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.216 -15.303 -9.019 1.00 0.00 C ATOM 1404 NE ARG A 96 -6.485 -14.858 -8.448 1.00 0.00 N ATOM 1405 CZ ARG A 96 -7.214 -15.593 -7.615 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -6.802 -16.801 -7.258 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -8.358 -15.119 -7.138 1.00 0.00 N ATOM 0 H ARG A 96 -3.037 -14.019 -5.324 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.546 -15.461 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.690 -15.911 -6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.085 -16.851 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.217 -13.883 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.142 -14.791 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.109 -14.898 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.221 -16.389 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.830 -13.933 -8.703 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.923 -17.169 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.364 -17.363 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.678 -14.190 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.917 -15.684 -6.499 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.219 -17.282 -4.278 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.076 -18.327 -3.271 1.00 0.00 C ATOM 1423 C GLU A 97 -4.248 -19.491 -3.809 1.00 0.00 C ATOM 1424 O GLU A 97 -4.232 -19.751 -5.012 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.451 -18.828 -2.824 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.183 -19.627 -3.889 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.633 -19.888 -3.530 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.901 -20.240 -2.362 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -9.499 -19.739 -4.417 1.00 0.00 O ATOM 0 H GLU A 97 -6.167 -17.167 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.557 -17.900 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.331 -19.447 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.064 -17.974 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.138 -19.089 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.673 -20.579 -4.039 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.563 -20.188 -2.909 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.732 -21.323 -3.292 1.00 0.00 C ATOM 1438 C ARG A 98 -3.588 -22.554 -3.571 1.00 0.00 C ATOM 1439 O ARG A 98 -3.527 -23.133 -4.656 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.716 -21.634 -2.191 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.450 -20.797 -2.276 1.00 0.00 C ATOM 1442 CD ARG A 98 0.273 -20.743 -0.940 1.00 0.00 C ATOM 1443 NE ARG A 98 1.068 -21.944 -0.698 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.595 -22.251 0.482 1.00 0.00 C ATOM 1445 NH1 ARG A 98 1.412 -21.450 1.522 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.307 -23.362 0.623 1.00 0.00 N ATOM 0 H ARG A 98 -3.567 -19.987 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.198 -21.058 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.184 -21.472 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.448 -22.689 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.213 -21.215 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.702 -19.786 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.922 -19.868 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.456 -20.623 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 98 1.227 -22.582 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.865 -20.595 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.818 -21.688 2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.450 -23.981 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.711 -23.597 1.529 1.00 0.00 H new