USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= 1.35 (180deg=0.514) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.0444 (180deg=-0.273) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 31 GLN : amide:sc= -3.04! K(o=-3!,f=-0.099) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0208 K(o=-0.021,f=-3.6) USER MOD Single : A 55 THR OG1 : rot -31:sc= 0.953 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 62 SER OG : rot 10:sc= 0.986 USER MOD Single : A 66 TYR OH : rot 180:sc= -3.59! USER MOD Single : A 67 THR OG1 : rot -52:sc= 0.547 USER MOD Single : A 70 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.54) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -17! C(o=-17!,f=-15!) USER MOD Single : A 79 THR OG1 : rot 91:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.483 -0.815 -0.538 1.00 0.00 N ATOM 100 CA GLY A 10 14.122 -1.009 0.750 1.00 0.00 C ATOM 101 C GLY A 10 14.035 0.221 1.632 1.00 0.00 C ATOM 102 O GLY A 10 13.929 0.112 2.854 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.656 -1.852 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.169 -1.269 0.597 1.00 0.00 H new ATOM 106 N LEU A 11 14.082 1.395 1.012 1.00 0.00 N ATOM 107 CA LEU A 11 14.009 2.653 1.749 1.00 0.00 C ATOM 108 C LEU A 11 12.568 2.980 2.126 1.00 0.00 C ATOM 109 O LEU A 11 12.310 3.915 2.886 1.00 0.00 O ATOM 110 CB LEU A 11 14.602 3.790 0.915 1.00 0.00 C ATOM 111 CG LEU A 11 13.718 4.328 -0.211 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.182 3.186 -1.060 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.573 5.154 0.358 1.00 0.00 C ATOM 0 H LEU A 11 14.170 1.503 0.002 1.00 0.00 H new ATOM 0 HA LEU A 11 14.588 2.543 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.846 4.615 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.540 3.444 0.480 1.00 0.00 H new ATOM 0 HG LEU A 11 14.325 4.973 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.555 3.588 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.015 2.635 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.591 2.515 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.954 5.529 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.967 4.531 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.976 5.994 0.923 1.00 0.00 H new ATOM 125 N LEU A 12 11.631 2.205 1.591 1.00 0.00 N ATOM 126 CA LEU A 12 10.215 2.411 1.872 1.00 0.00 C ATOM 127 C LEU A 12 9.969 2.526 3.373 1.00 0.00 C ATOM 128 O LEU A 12 9.492 3.552 3.858 1.00 0.00 O ATOM 129 CB LEU A 12 9.387 1.261 1.295 1.00 0.00 C ATOM 130 CG LEU A 12 9.276 1.213 -0.229 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.869 -0.178 -0.691 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.282 2.253 -0.724 1.00 0.00 C ATOM 0 H LEU A 12 11.827 1.428 0.960 1.00 0.00 H new ATOM 0 HA LEU A 12 9.908 3.344 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.819 0.321 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.381 1.320 1.711 1.00 0.00 H new ATOM 0 HG LEU A 12 10.254 1.443 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.795 -0.193 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.617 -0.902 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.903 -0.437 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.216 2.205 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.301 2.054 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.616 3.247 -0.425 1.00 0.00 H new ATOM 144 N VAL A 13 10.300 1.466 4.105 1.00 0.00 N ATOM 145 CA VAL A 13 10.119 1.449 5.552 1.00 0.00 C ATOM 146 C VAL A 13 10.719 2.694 6.195 1.00 0.00 C ATOM 147 O VAL A 13 10.135 3.275 7.111 1.00 0.00 O ATOM 148 CB VAL A 13 10.759 0.199 6.183 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.105 -1.065 5.646 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.259 0.183 5.928 1.00 0.00 C ATOM 0 H VAL A 13 10.695 0.608 3.719 1.00 0.00 H new ATOM 0 HA VAL A 13 9.045 1.430 5.737 1.00 0.00 H new ATOM 0 HB VAL A 13 10.597 0.233 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.571 -1.938 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.042 -1.054 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.234 -1.110 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.696 -0.707 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.445 0.173 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.712 1.072 6.366 1.00 0.00 H new ATOM 160 N HIS A 14 11.888 3.100 5.710 1.00 0.00 N ATOM 161 CA HIS A 14 12.567 4.278 6.237 1.00 0.00 C ATOM 162 C HIS A 14 11.689 5.518 6.102 1.00 0.00 C ATOM 163 O HIS A 14 11.355 6.167 7.093 1.00 0.00 O ATOM 164 CB HIS A 14 13.894 4.496 5.509 1.00 0.00 C ATOM 165 CG HIS A 14 14.740 5.573 6.116 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.675 6.289 5.399 1.00 0.00 N ATOM 167 CD2 HIS A 14 14.787 6.055 7.380 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.262 7.164 6.196 1.00 0.00 C ATOM 169 NE2 HIS A 14 15.741 7.043 7.403 1.00 0.00 N ATOM 0 H HIS A 14 12.385 2.630 4.953 1.00 0.00 H new ATOM 0 HA HIS A 14 12.765 4.109 7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.456 3.562 5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.691 4.748 4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.187 5.724 8.215 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.036 7.860 5.909 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.004 7.594 8.220 1.00 0.00 H new ATOM 178 N LYS A 15 11.318 5.843 4.868 1.00 0.00 N ATOM 179 CA LYS A 15 10.478 7.004 4.601 1.00 0.00 C ATOM 180 C LYS A 15 9.036 6.741 5.022 1.00 0.00 C ATOM 181 O LYS A 15 8.426 5.758 4.603 1.00 0.00 O ATOM 182 CB LYS A 15 10.529 7.365 3.115 1.00 0.00 C ATOM 183 CG LYS A 15 9.628 8.530 2.741 1.00 0.00 C ATOM 184 CD LYS A 15 9.313 8.536 1.254 1.00 0.00 C ATOM 185 CE LYS A 15 8.452 9.730 0.872 1.00 0.00 C ATOM 186 NZ LYS A 15 8.380 9.913 -0.604 1.00 0.00 N ATOM 0 H LYS A 15 11.587 5.317 4.036 1.00 0.00 H new ATOM 0 HA LYS A 15 10.861 7.841 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.556 7.609 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.243 6.492 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.700 8.471 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.111 9.468 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.242 8.559 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.797 7.614 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.447 9.595 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.858 10.632 1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.454 10.311 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.132 10.563 -0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.504 8.994 -1.074 1.00 0.00 H new ATOM 200 N ALA A 16 8.496 7.627 5.853 1.00 0.00 N ATOM 201 CA ALA A 16 7.125 7.492 6.328 1.00 0.00 C ATOM 202 C ALA A 16 6.164 7.250 5.169 1.00 0.00 C ATOM 203 O ALA A 16 6.261 7.893 4.124 1.00 0.00 O ATOM 204 CB ALA A 16 6.712 8.731 7.108 1.00 0.00 C ATOM 0 H ALA A 16 8.988 8.446 6.211 1.00 0.00 H new ATOM 0 HA ALA A 16 7.080 6.627 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.686 8.616 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.374 8.859 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.780 9.607 6.463 1.00 0.00 H new ATOM 210 N VAL A 17 5.236 6.317 5.360 1.00 0.00 N ATOM 211 CA VAL A 17 4.257 5.991 4.331 1.00 0.00 C ATOM 212 C VAL A 17 3.379 7.194 4.005 1.00 0.00 C ATOM 213 O VAL A 17 2.973 7.387 2.859 1.00 0.00 O ATOM 214 CB VAL A 17 3.359 4.816 4.762 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.362 4.474 3.665 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.205 3.604 5.122 1.00 0.00 C ATOM 0 H VAL A 17 5.142 5.774 6.218 1.00 0.00 H new ATOM 0 HA VAL A 17 4.818 5.703 3.442 1.00 0.00 H new ATOM 0 HB VAL A 17 2.799 5.116 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.737 3.642 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.734 5.341 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.900 4.194 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.555 2.783 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.793 3.301 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.874 3.858 5.944 1.00 0.00 H new ATOM 226 N ASP A 18 3.090 8.000 5.021 1.00 0.00 N ATOM 227 CA ASP A 18 2.261 9.187 4.843 1.00 0.00 C ATOM 228 C ASP A 18 2.945 10.195 3.925 1.00 0.00 C ATOM 229 O ASP A 18 2.365 11.221 3.570 1.00 0.00 O ATOM 230 CB ASP A 18 1.961 9.833 6.197 1.00 0.00 C ATOM 231 CG ASP A 18 3.109 9.685 7.176 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.392 8.542 7.589 1.00 0.00 O ATOM 233 OD2 ASP A 18 3.723 10.714 7.529 1.00 0.00 O ATOM 0 H ASP A 18 3.417 7.853 5.976 1.00 0.00 H new ATOM 0 HA ASP A 18 1.323 8.879 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.746 10.892 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.065 9.381 6.621 1.00 0.00 H new ATOM 238 N LYS A 19 4.182 9.896 3.544 1.00 0.00 N ATOM 239 CA LYS A 19 4.946 10.775 2.666 1.00 0.00 C ATOM 240 C LYS A 19 5.153 10.132 1.298 1.00 0.00 C ATOM 241 O LYS A 19 5.737 10.738 0.400 1.00 0.00 O ATOM 242 CB LYS A 19 6.301 11.105 3.296 1.00 0.00 C ATOM 243 CG LYS A 19 6.267 12.315 4.214 1.00 0.00 C ATOM 244 CD LYS A 19 5.550 12.006 5.517 1.00 0.00 C ATOM 245 CE LYS A 19 5.992 12.941 6.632 1.00 0.00 C ATOM 246 NZ LYS A 19 7.397 12.680 7.050 1.00 0.00 N ATOM 0 H LYS A 19 4.677 9.051 3.829 1.00 0.00 H new ATOM 0 HA LYS A 19 4.379 11.696 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.650 10.241 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.028 11.282 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.285 12.640 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.767 13.142 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.474 12.095 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.748 10.974 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.898 13.974 6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.330 12.822 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.546 13.044 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.579 11.656 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.048 13.158 6.395 1.00 0.00 H new ATOM 260 N TRP A 20 4.668 8.905 1.147 1.00 0.00 N ATOM 261 CA TRP A 20 4.798 8.182 -0.113 1.00 0.00 C ATOM 262 C TRP A 20 3.989 8.858 -1.214 1.00 0.00 C ATOM 263 O TRP A 20 3.234 9.797 -0.958 1.00 0.00 O ATOM 264 CB TRP A 20 4.341 6.733 0.057 1.00 0.00 C ATOM 265 CG TRP A 20 5.228 5.933 0.963 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.272 6.400 1.709 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.149 4.526 1.217 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.847 5.368 2.411 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.176 4.208 2.127 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.309 3.504 0.765 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.384 2.912 2.590 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.517 2.218 1.226 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.547 1.931 2.131 1.00 0.00 C ATOM 0 H TRP A 20 4.181 8.390 1.881 1.00 0.00 H new ATOM 0 HA TRP A 20 5.849 8.192 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.326 6.724 0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.306 6.254 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.598 7.429 1.742 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.644 5.452 3.041 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.512 3.716 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.178 2.688 3.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.875 1.421 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.683 0.916 2.473 1.00 0.00 H new ATOM 284 N THR A 21 4.149 8.374 -2.442 1.00 0.00 N ATOM 285 CA THR A 21 3.433 8.932 -3.583 1.00 0.00 C ATOM 286 C THR A 21 2.711 7.841 -4.365 1.00 0.00 C ATOM 287 O THR A 21 3.055 6.662 -4.271 1.00 0.00 O ATOM 288 CB THR A 21 4.387 9.682 -4.532 1.00 0.00 C ATOM 289 OG1 THR A 21 5.524 8.865 -4.831 1.00 0.00 O ATOM 290 CG2 THR A 21 4.847 10.993 -3.911 1.00 0.00 C ATOM 0 H THR A 21 4.768 7.597 -2.672 1.00 0.00 H new ATOM 0 HA THR A 21 2.701 9.635 -3.185 1.00 0.00 H new ATOM 0 HB THR A 21 3.848 9.904 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.124 9.349 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.520 11.505 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.981 11.625 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.370 10.789 -2.977 1.00 0.00 H new ATOM 298 N THR A 22 1.707 8.241 -5.140 1.00 0.00 N ATOM 299 CA THR A 22 0.935 7.297 -5.939 1.00 0.00 C ATOM 300 C THR A 22 1.839 6.249 -6.577 1.00 0.00 C ATOM 301 O THR A 22 1.400 5.141 -6.883 1.00 0.00 O ATOM 302 CB THR A 22 0.140 8.016 -7.045 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.386 9.251 -6.546 1.00 0.00 O ATOM 304 CG2 THR A 22 -0.997 7.141 -7.550 1.00 0.00 C ATOM 0 H THR A 22 1.410 9.212 -5.231 1.00 0.00 H new ATOM 0 HA THR A 22 0.237 6.806 -5.261 1.00 0.00 H new ATOM 0 HB THR A 22 0.817 8.219 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.889 9.703 -7.256 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.544 7.670 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.591 6.215 -7.956 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.672 6.911 -6.726 1.00 0.00 H new ATOM 312 N GLU A 23 3.104 6.608 -6.776 1.00 0.00 N ATOM 313 CA GLU A 23 4.069 5.696 -7.380 1.00 0.00 C ATOM 314 C GLU A 23 4.598 4.703 -6.349 1.00 0.00 C ATOM 315 O GLU A 23 4.477 3.491 -6.522 1.00 0.00 O ATOM 316 CB GLU A 23 5.232 6.481 -7.990 1.00 0.00 C ATOM 317 CG GLU A 23 5.885 5.783 -9.171 1.00 0.00 C ATOM 318 CD GLU A 23 6.855 6.679 -9.916 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.480 7.544 -9.269 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.989 6.514 -11.147 1.00 0.00 O ATOM 0 H GLU A 23 3.484 7.522 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 23 3.561 5.140 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.871 7.458 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.984 6.656 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.413 4.897 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.112 5.440 -9.859 1.00 0.00 H new ATOM 327 N GLU A 24 5.184 5.227 -5.277 1.00 0.00 N ATOM 328 CA GLU A 24 5.732 4.386 -4.219 1.00 0.00 C ATOM 329 C GLU A 24 4.649 3.495 -3.616 1.00 0.00 C ATOM 330 O GLU A 24 4.871 2.310 -3.370 1.00 0.00 O ATOM 331 CB GLU A 24 6.364 5.250 -3.126 1.00 0.00 C ATOM 332 CG GLU A 24 7.529 6.094 -3.615 1.00 0.00 C ATOM 333 CD GLU A 24 8.337 6.688 -2.477 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.713 5.930 -1.558 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.593 7.910 -2.505 1.00 0.00 O ATOM 0 H GLU A 24 5.291 6.229 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 24 6.500 3.749 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.601 5.906 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.708 4.605 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.181 5.481 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.151 6.898 -4.246 1.00 0.00 H new ATOM 342 N VAL A 25 3.477 4.076 -3.379 1.00 0.00 N ATOM 343 CA VAL A 25 2.359 3.337 -2.806 1.00 0.00 C ATOM 344 C VAL A 25 2.156 2.006 -3.521 1.00 0.00 C ATOM 345 O VAL A 25 2.076 0.953 -2.887 1.00 0.00 O ATOM 346 CB VAL A 25 1.053 4.149 -2.877 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.148 3.256 -2.606 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.095 5.311 -1.896 1.00 0.00 C ATOM 0 H VAL A 25 3.278 5.057 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 25 2.606 3.151 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 25 0.953 4.555 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.061 3.848 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.186 2.461 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.059 2.818 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.164 5.874 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.219 4.928 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.932 5.965 -2.142 1.00 0.00 H new ATOM 358 N VAL A 26 2.074 2.059 -4.847 1.00 0.00 N ATOM 359 CA VAL A 26 1.882 0.857 -5.650 1.00 0.00 C ATOM 360 C VAL A 26 3.124 -0.028 -5.621 1.00 0.00 C ATOM 361 O VAL A 26 3.025 -1.255 -5.630 1.00 0.00 O ATOM 362 CB VAL A 26 1.549 1.207 -7.112 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.512 -0.051 -7.967 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.227 1.955 -7.193 1.00 0.00 C ATOM 0 H VAL A 26 2.138 2.922 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 26 1.043 0.315 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 26 2.333 1.858 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.275 0.216 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.484 -0.542 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.750 -0.729 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.008 2.194 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.570 1.331 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.294 2.877 -6.615 1.00 0.00 H new ATOM 374 N LEU A 27 4.292 0.603 -5.585 1.00 0.00 N ATOM 375 CA LEU A 27 5.555 -0.126 -5.553 1.00 0.00 C ATOM 376 C LEU A 27 5.637 -1.019 -4.319 1.00 0.00 C ATOM 377 O LEU A 27 5.912 -2.215 -4.423 1.00 0.00 O ATOM 378 CB LEU A 27 6.732 0.851 -5.569 1.00 0.00 C ATOM 379 CG LEU A 27 7.264 1.239 -6.949 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.468 2.158 -6.818 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.625 -0.004 -7.750 1.00 0.00 C ATOM 0 H LEU A 27 4.391 1.618 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 27 5.604 -0.758 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.430 1.760 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.550 0.413 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 27 6.479 1.776 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.833 2.423 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.179 3.063 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.257 1.647 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.002 0.291 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.393 -0.568 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.739 -0.627 -7.875 1.00 0.00 H new ATOM 393 N TRP A 28 5.395 -0.432 -3.153 1.00 0.00 N ATOM 394 CA TRP A 28 5.440 -1.175 -1.899 1.00 0.00 C ATOM 395 C TRP A 28 4.472 -2.353 -1.930 1.00 0.00 C ATOM 396 O TRP A 28 4.790 -3.443 -1.452 1.00 0.00 O ATOM 397 CB TRP A 28 5.105 -0.254 -0.724 1.00 0.00 C ATOM 398 CG TRP A 28 4.691 -0.995 0.511 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.514 -1.568 1.438 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.351 -1.243 0.953 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.767 -2.157 2.429 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.438 -1.972 2.155 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.088 -0.920 0.450 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.309 -2.381 2.860 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.969 -1.327 1.151 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.085 -2.051 2.345 1.00 0.00 C ATOM 0 H TRP A 28 5.166 0.556 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 28 6.451 -1.562 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.974 0.362 -0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.303 0.423 -1.019 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.593 -1.559 1.398 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.142 -2.652 3.238 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.988 -0.363 -0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.396 -2.939 3.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.012 -1.083 0.772 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.191 -2.355 2.869 1.00 0.00 H new ATOM 417 N LEU A 29 3.291 -2.128 -2.494 1.00 0.00 N ATOM 418 CA LEU A 29 2.276 -3.172 -2.587 1.00 0.00 C ATOM 419 C LEU A 29 2.631 -4.181 -3.674 1.00 0.00 C ATOM 420 O LEU A 29 2.242 -5.346 -3.604 1.00 0.00 O ATOM 421 CB LEU A 29 0.906 -2.555 -2.875 1.00 0.00 C ATOM 422 CG LEU A 29 -0.203 -3.534 -3.259 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.824 -4.152 -2.016 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.265 -2.836 -4.096 1.00 0.00 C ATOM 0 H LEU A 29 3.012 -1.232 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 29 2.238 -3.694 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.586 -2.002 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.018 -1.830 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 29 0.236 -4.333 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.611 -4.846 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.058 -4.688 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.248 -3.366 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.046 -3.548 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.699 -2.017 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.811 -2.442 -5.005 1.00 0.00 H new ATOM 436 N GLU A 30 3.375 -3.725 -4.678 1.00 0.00 N ATOM 437 CA GLU A 30 3.783 -4.589 -5.779 1.00 0.00 C ATOM 438 C GLU A 30 4.954 -5.478 -5.368 1.00 0.00 C ATOM 439 O GLU A 30 5.559 -6.149 -6.203 1.00 0.00 O ATOM 440 CB GLU A 30 4.170 -3.750 -6.999 1.00 0.00 C ATOM 441 CG GLU A 30 2.992 -3.397 -7.892 1.00 0.00 C ATOM 442 CD GLU A 30 3.424 -2.929 -9.268 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.692 -1.719 -9.426 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.495 -3.772 -10.187 1.00 0.00 O ATOM 0 H GLU A 30 3.707 -2.763 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 30 2.938 -5.227 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.647 -2.830 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.909 -4.296 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.345 -4.268 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.401 -2.615 -7.415 1.00 0.00 H new ATOM 451 N GLN A 31 5.265 -5.475 -4.075 1.00 0.00 N ATOM 452 CA GLN A 31 6.364 -6.280 -3.554 1.00 0.00 C ATOM 453 C GLN A 31 5.845 -7.369 -2.621 1.00 0.00 C ATOM 454 O GLN A 31 6.506 -8.387 -2.410 1.00 0.00 O ATOM 455 CB GLN A 31 7.367 -5.393 -2.814 1.00 0.00 C ATOM 456 CG GLN A 31 8.286 -4.611 -3.739 1.00 0.00 C ATOM 457 CD GLN A 31 9.266 -3.735 -2.984 1.00 0.00 C ATOM 458 OE1 GLN A 31 10.424 -4.105 -2.789 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.806 -2.566 -2.554 1.00 0.00 N ATOM 0 H GLN A 31 4.773 -4.925 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 31 6.864 -6.757 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.822 -4.693 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.972 -6.015 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.838 -5.307 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.684 -3.989 -4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.839 -2.300 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.420 -1.934 -2.040 1.00 0.00 H new ATOM 468 N LEU A 32 4.660 -7.149 -2.064 1.00 0.00 N ATOM 469 CA LEU A 32 4.052 -8.112 -1.152 1.00 0.00 C ATOM 470 C LEU A 32 3.644 -9.381 -1.893 1.00 0.00 C ATOM 471 O LEU A 32 3.573 -10.460 -1.306 1.00 0.00 O ATOM 472 CB LEU A 32 2.832 -7.495 -0.466 1.00 0.00 C ATOM 473 CG LEU A 32 2.943 -6.013 -0.105 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.727 -5.565 0.691 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.221 -5.749 0.677 1.00 0.00 C ATOM 0 H LEU A 32 4.100 -6.312 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 32 4.792 -8.376 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.969 -7.626 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.630 -8.057 0.446 1.00 0.00 H new ATOM 0 HG LEU A 32 2.980 -5.436 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.824 -4.508 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.826 -5.717 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.658 -6.148 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.283 -4.689 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.214 -6.337 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.083 -6.031 0.072 1.00 0.00 H new ATOM 487 N GLY A 33 3.381 -9.245 -3.189 1.00 0.00 N ATOM 488 CA GLY A 33 2.986 -10.389 -3.990 1.00 0.00 C ATOM 489 C GLY A 33 2.613 -10.003 -5.408 1.00 0.00 C ATOM 490 O GLY A 33 2.405 -8.831 -5.721 1.00 0.00 O ATOM 0 H GLY A 33 3.434 -8.363 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.803 -11.110 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.138 -10.885 -3.517 1.00 0.00 H new ATOM 494 N PRO A 34 2.526 -11.006 -6.295 1.00 0.00 N ATOM 495 CA PRO A 34 2.177 -10.790 -7.702 1.00 0.00 C ATOM 496 C PRO A 34 0.721 -10.375 -7.881 1.00 0.00 C ATOM 497 O PRO A 34 0.365 -9.736 -8.871 1.00 0.00 O ATOM 498 CB PRO A 34 2.426 -12.158 -8.343 1.00 0.00 C ATOM 499 CG PRO A 34 2.273 -13.133 -7.227 1.00 0.00 C ATOM 500 CD PRO A 34 2.761 -12.428 -5.992 1.00 0.00 C ATOM 0 HA PRO A 34 2.759 -9.983 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.712 -12.356 -9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.422 -12.213 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.233 -13.439 -7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.853 -14.036 -7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.213 -12.746 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.816 -12.630 -5.804 1.00 0.00 H new ATOM 508 N TRP A 35 -0.116 -10.741 -6.918 1.00 0.00 N ATOM 509 CA TRP A 35 -1.535 -10.405 -6.969 1.00 0.00 C ATOM 510 C TRP A 35 -1.745 -8.903 -6.816 1.00 0.00 C ATOM 511 O TRP A 35 -2.815 -8.382 -7.128 1.00 0.00 O ATOM 512 CB TRP A 35 -2.297 -11.154 -5.875 1.00 0.00 C ATOM 513 CG TRP A 35 -1.638 -11.074 -4.531 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.011 -12.088 -3.864 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.542 -9.919 -3.691 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.531 -11.633 -2.660 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.843 -10.305 -2.530 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.976 -8.596 -3.806 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.572 -9.415 -1.494 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.706 -7.714 -2.777 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.009 -8.126 -1.634 1.00 0.00 C ATOM 0 H TRP A 35 0.162 -11.271 -6.092 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.920 -10.709 -7.943 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.306 -10.748 -5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.395 -12.201 -6.162 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.908 -13.099 -4.230 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.025 -12.193 -1.974 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.513 -8.268 -4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.036 -9.731 -0.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.038 -6.689 -2.855 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.813 -7.412 -0.848 1.00 0.00 H new ATOM 532 N ALA A 36 -0.716 -8.212 -6.335 1.00 0.00 N ATOM 533 CA ALA A 36 -0.788 -6.769 -6.143 1.00 0.00 C ATOM 534 C ALA A 36 -1.183 -6.062 -7.435 1.00 0.00 C ATOM 535 O ALA A 36 -1.966 -5.112 -7.420 1.00 0.00 O ATOM 536 CB ALA A 36 0.543 -6.237 -5.634 1.00 0.00 C ATOM 0 H ALA A 36 0.177 -8.629 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.557 -6.565 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.474 -5.158 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.784 -6.711 -4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.325 -6.461 -6.359 1.00 0.00 H new ATOM 542 N SER A 37 -0.637 -6.532 -8.552 1.00 0.00 N ATOM 543 CA SER A 37 -0.929 -5.942 -9.853 1.00 0.00 C ATOM 544 C SER A 37 -2.424 -6.002 -10.153 1.00 0.00 C ATOM 545 O SER A 37 -2.912 -5.337 -11.068 1.00 0.00 O ATOM 546 CB SER A 37 -0.147 -6.664 -10.951 1.00 0.00 C ATOM 547 OG SER A 37 -0.680 -6.374 -12.232 1.00 0.00 O ATOM 0 H SER A 37 0.010 -7.320 -8.582 1.00 0.00 H new ATOM 0 HA SER A 37 -0.623 -4.896 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.900 -6.364 -10.913 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.177 -7.739 -10.776 1.00 0.00 H new ATOM 0 HG SER A 37 -0.162 -6.846 -12.917 1.00 0.00 H new ATOM 553 N LEU A 38 -3.144 -6.804 -9.378 1.00 0.00 N ATOM 554 CA LEU A 38 -4.584 -6.953 -9.559 1.00 0.00 C ATOM 555 C LEU A 38 -5.337 -5.795 -8.912 1.00 0.00 C ATOM 556 O LEU A 38 -6.520 -5.583 -9.180 1.00 0.00 O ATOM 557 CB LEU A 38 -5.059 -8.280 -8.965 1.00 0.00 C ATOM 558 CG LEU A 38 -4.335 -9.533 -9.458 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.631 -10.714 -8.547 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.734 -9.850 -10.892 1.00 0.00 C ATOM 0 H LEU A 38 -2.755 -7.362 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.793 -6.946 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.956 -8.228 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.122 -8.391 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.262 -9.342 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.107 -11.597 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.295 -10.487 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.704 -10.907 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.209 -10.745 -11.226 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.809 -10.020 -10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.470 -9.012 -11.537 1.00 0.00 H new ATOM 572 N TYR A 39 -4.644 -5.047 -8.062 1.00 0.00 N ATOM 573 CA TYR A 39 -5.246 -3.910 -7.376 1.00 0.00 C ATOM 574 C TYR A 39 -4.529 -2.613 -7.738 1.00 0.00 C ATOM 575 O TYR A 39 -5.143 -1.548 -7.806 1.00 0.00 O ATOM 576 CB TYR A 39 -5.209 -4.122 -5.862 1.00 0.00 C ATOM 577 CG TYR A 39 -5.852 -5.415 -5.415 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.133 -6.604 -5.405 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.179 -5.449 -5.005 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.716 -7.788 -4.998 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.770 -6.628 -4.596 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.035 -7.795 -4.594 1.00 0.00 C ATOM 583 OH TYR A 39 -7.621 -8.972 -4.189 1.00 0.00 O ATOM 0 H TYR A 39 -3.664 -5.207 -7.831 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.284 -3.832 -7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.172 -4.107 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.713 -3.288 -5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.100 -6.602 -5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.758 -4.538 -5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.143 -8.703 -4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.802 -6.636 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.553 -8.803 -3.936 1.00 0.00 H new ATOM 593 N ARG A 40 -3.224 -2.711 -7.969 1.00 0.00 N ATOM 594 CA ARG A 40 -2.421 -1.547 -8.323 1.00 0.00 C ATOM 595 C ARG A 40 -3.189 -0.622 -9.263 1.00 0.00 C ATOM 596 O ARG A 40 -3.146 0.600 -9.119 1.00 0.00 O ATOM 597 CB ARG A 40 -1.110 -1.985 -8.979 1.00 0.00 C ATOM 598 CG ARG A 40 -1.273 -2.441 -10.420 1.00 0.00 C ATOM 599 CD ARG A 40 0.052 -2.892 -11.015 1.00 0.00 C ATOM 600 NE ARG A 40 0.771 -1.789 -11.647 1.00 0.00 N ATOM 601 CZ ARG A 40 0.524 -1.361 -12.880 1.00 0.00 C ATOM 602 NH1 ARG A 40 -0.420 -1.940 -13.610 1.00 0.00 N ATOM 603 NH2 ARG A 40 1.221 -0.351 -13.385 1.00 0.00 N ATOM 0 H ARG A 40 -2.700 -3.585 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.196 -1.000 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.403 -1.156 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.676 -2.798 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.991 -3.260 -10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.682 -1.626 -11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.672 -3.327 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.129 -3.676 -11.751 1.00 0.00 H new ATOM 0 HE ARG A 40 1.503 -1.322 -11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.958 -2.716 -13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.608 -1.609 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.947 0.097 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.031 -0.023 -14.332 1.00 0.00 H new ATOM 617 N ASP A 41 -3.889 -1.213 -10.224 1.00 0.00 N ATOM 618 CA ASP A 41 -4.667 -0.443 -11.188 1.00 0.00 C ATOM 619 C ASP A 41 -5.608 0.524 -10.477 1.00 0.00 C ATOM 620 O ASP A 41 -5.721 1.689 -10.860 1.00 0.00 O ATOM 621 CB ASP A 41 -5.467 -1.380 -12.094 1.00 0.00 C ATOM 622 CG ASP A 41 -4.582 -2.170 -13.037 1.00 0.00 C ATOM 623 OD1 ASP A 41 -3.635 -1.579 -13.599 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.834 -3.381 -13.213 1.00 0.00 O ATOM 0 H ASP A 41 -3.934 -2.223 -10.357 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.974 0.136 -11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.044 -2.070 -11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.182 -0.797 -12.675 1.00 0.00 H new ATOM 629 N ARG A 42 -6.281 0.034 -9.442 1.00 0.00 N ATOM 630 CA ARG A 42 -7.214 0.855 -8.679 1.00 0.00 C ATOM 631 C ARG A 42 -6.483 1.990 -7.968 1.00 0.00 C ATOM 632 O ARG A 42 -6.972 3.118 -7.912 1.00 0.00 O ATOM 633 CB ARG A 42 -7.963 -0.003 -7.658 1.00 0.00 C ATOM 634 CG ARG A 42 -8.621 -1.233 -8.261 1.00 0.00 C ATOM 635 CD ARG A 42 -9.794 -1.708 -7.418 1.00 0.00 C ATOM 636 NE ARG A 42 -10.728 -2.523 -8.190 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.585 -2.022 -9.073 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.624 -0.715 -9.295 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.403 -2.828 -9.736 1.00 0.00 N ATOM 0 H ARG A 42 -6.198 -0.928 -9.112 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.932 1.289 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.267 -0.318 -6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.726 0.607 -7.174 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.965 -1.005 -9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.887 -2.034 -8.348 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.422 -2.286 -6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.319 -0.845 -7.008 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.722 -3.532 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.995 -0.093 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.283 -0.332 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.375 -3.834 -9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.061 -2.442 -10.414 1.00 0.00 H new ATOM 653 N PHE A 43 -5.310 1.683 -7.424 1.00 0.00 N ATOM 654 CA PHE A 43 -4.512 2.676 -6.715 1.00 0.00 C ATOM 655 C PHE A 43 -4.168 3.850 -7.628 1.00 0.00 C ATOM 656 O PHE A 43 -4.444 5.005 -7.303 1.00 0.00 O ATOM 657 CB PHE A 43 -3.229 2.041 -6.176 1.00 0.00 C ATOM 658 CG PHE A 43 -3.463 1.088 -5.039 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.777 -0.239 -5.283 1.00 0.00 C ATOM 660 CD2 PHE A 43 -3.369 1.520 -3.726 1.00 0.00 C ATOM 661 CE1 PHE A 43 -3.994 -1.118 -4.239 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.584 0.645 -2.677 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.896 -0.675 -2.934 1.00 0.00 C ATOM 0 H PHE A 43 -4.891 0.754 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.102 3.050 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.727 1.511 -6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.554 2.830 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.853 -0.591 -6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.125 2.552 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.240 -2.150 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.508 0.994 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.063 -1.360 -2.116 1.00 0.00 H new ATOM 673 N LEU A 44 -3.563 3.545 -8.770 1.00 0.00 N ATOM 674 CA LEU A 44 -3.180 4.574 -9.731 1.00 0.00 C ATOM 675 C LEU A 44 -4.394 5.383 -10.176 1.00 0.00 C ATOM 676 O LEU A 44 -4.424 6.605 -10.033 1.00 0.00 O ATOM 677 CB LEU A 44 -2.504 3.937 -10.947 1.00 0.00 C ATOM 678 CG LEU A 44 -1.085 3.412 -10.726 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.273 4.396 -9.898 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.120 2.047 -10.053 1.00 0.00 C ATOM 0 H LEU A 44 -3.327 2.594 -9.054 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.476 5.248 -9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.126 3.111 -11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.477 4.673 -11.750 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.604 3.304 -11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.734 4.004 -9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.218 5.352 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.752 4.538 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.101 1.689 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.621 2.130 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.663 1.344 -10.685 1.00 0.00 H new ATOM 692 N SER A 45 -5.394 4.692 -10.715 1.00 0.00 N ATOM 693 CA SER A 45 -6.610 5.346 -11.182 1.00 0.00 C ATOM 694 C SER A 45 -7.213 6.219 -10.085 1.00 0.00 C ATOM 695 O SER A 45 -7.644 7.343 -10.340 1.00 0.00 O ATOM 696 CB SER A 45 -7.632 4.304 -11.639 1.00 0.00 C ATOM 697 OG SER A 45 -8.470 4.823 -12.658 1.00 0.00 O ATOM 0 H SER A 45 -5.385 3.680 -10.839 1.00 0.00 H new ATOM 0 HA SER A 45 -6.349 5.983 -12.027 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.113 3.418 -12.006 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.239 3.989 -10.790 1.00 0.00 H new ATOM 0 HG SER A 45 -9.113 4.137 -12.934 1.00 0.00 H new ATOM 703 N GLU A 46 -7.240 5.691 -8.866 1.00 0.00 N ATOM 704 CA GLU A 46 -7.791 6.422 -7.730 1.00 0.00 C ATOM 705 C GLU A 46 -6.744 7.349 -7.120 1.00 0.00 C ATOM 706 O GLU A 46 -6.961 7.934 -6.059 1.00 0.00 O ATOM 707 CB GLU A 46 -8.306 5.447 -6.669 1.00 0.00 C ATOM 708 CG GLU A 46 -9.596 4.745 -7.061 1.00 0.00 C ATOM 709 CD GLU A 46 -10.672 5.714 -7.514 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.166 6.489 -6.669 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.019 5.696 -8.713 1.00 0.00 O ATOM 0 H GLU A 46 -6.887 4.761 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.622 7.028 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.539 4.697 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.466 5.989 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.390 4.035 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.965 4.169 -6.212 1.00 0.00 H new ATOM 718 N ARG A 47 -5.608 7.476 -7.797 1.00 0.00 N ATOM 719 CA ARG A 47 -4.526 8.329 -7.321 1.00 0.00 C ATOM 720 C ARG A 47 -4.339 8.181 -5.814 1.00 0.00 C ATOM 721 O ARG A 47 -4.093 9.159 -5.109 1.00 0.00 O ATOM 722 CB ARG A 47 -4.811 9.791 -7.669 1.00 0.00 C ATOM 723 CG ARG A 47 -4.877 10.060 -9.163 1.00 0.00 C ATOM 724 CD ARG A 47 -3.508 9.934 -9.813 1.00 0.00 C ATOM 725 NE ARG A 47 -3.421 10.691 -11.059 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.401 10.602 -11.904 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.385 9.791 -11.639 1.00 0.00 N ATOM 728 NH2 ARG A 47 -2.394 11.323 -13.018 1.00 0.00 N ATOM 0 H ARG A 47 -5.413 6.999 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.606 8.017 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.756 10.086 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.035 10.418 -7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.569 9.359 -9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.273 11.061 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.744 10.287 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.297 8.883 -10.012 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.187 11.323 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.386 9.234 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.602 9.724 -12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.173 11.947 -13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.609 11.253 -13.666 1.00 0.00 H new ATOM 742 N VAL A 48 -4.459 6.950 -5.326 1.00 0.00 N ATOM 743 CA VAL A 48 -4.303 6.673 -3.903 1.00 0.00 C ATOM 744 C VAL A 48 -2.851 6.839 -3.467 1.00 0.00 C ATOM 745 O VAL A 48 -1.999 6.010 -3.784 1.00 0.00 O ATOM 746 CB VAL A 48 -4.773 5.248 -3.554 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.692 5.012 -2.054 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.187 5.014 -4.063 1.00 0.00 C ATOM 0 H VAL A 48 -4.664 6.129 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.924 7.393 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.112 4.535 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.028 4.000 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.661 5.136 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.329 5.731 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.503 4.002 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.864 5.733 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.209 5.139 -5.146 1.00 0.00 H new ATOM 758 N ASN A 49 -2.578 7.915 -2.737 1.00 0.00 N ATOM 759 CA ASN A 49 -1.229 8.190 -2.257 1.00 0.00 C ATOM 760 C ASN A 49 -0.992 7.539 -0.897 1.00 0.00 C ATOM 761 O ASN A 49 -1.882 6.896 -0.342 1.00 0.00 O ATOM 762 CB ASN A 49 -0.997 9.699 -2.159 1.00 0.00 C ATOM 763 CG ASN A 49 -1.898 10.357 -1.132 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.599 10.358 0.062 1.00 0.00 O ATOM 765 ND2 ASN A 49 -3.008 10.921 -1.594 1.00 0.00 N ATOM 0 H ASN A 49 -3.273 8.611 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.523 7.766 -2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.044 9.888 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.169 10.154 -3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.653 11.379 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.215 10.896 -2.592 1.00 0.00 H new ATOM 772 N GLY A 50 0.214 7.712 -0.366 1.00 0.00 N ATOM 773 CA GLY A 50 0.547 7.137 0.924 1.00 0.00 C ATOM 774 C GLY A 50 -0.468 7.487 1.994 1.00 0.00 C ATOM 775 O GLY A 50 -1.132 6.607 2.542 1.00 0.00 O ATOM 0 H GLY A 50 0.967 8.241 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.612 6.053 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.531 7.489 1.232 1.00 0.00 H new ATOM 779 N ARG A 51 -0.588 8.777 2.294 1.00 0.00 N ATOM 780 CA ARG A 51 -1.527 9.241 3.308 1.00 0.00 C ATOM 781 C ARG A 51 -2.871 8.531 3.170 1.00 0.00 C ATOM 782 O ARG A 51 -3.285 7.785 4.059 1.00 0.00 O ATOM 783 CB ARG A 51 -1.725 10.754 3.196 1.00 0.00 C ATOM 784 CG ARG A 51 -2.004 11.432 4.527 1.00 0.00 C ATOM 785 CD ARG A 51 -0.716 11.821 5.236 1.00 0.00 C ATOM 786 NE ARG A 51 -0.951 12.210 6.624 1.00 0.00 N ATOM 787 CZ ARG A 51 -0.140 13.007 7.311 1.00 0.00 C ATOM 788 NH1 ARG A 51 0.952 13.497 6.741 1.00 0.00 N ATOM 789 NH2 ARG A 51 -0.422 13.316 8.570 1.00 0.00 N ATOM 0 H ARG A 51 -0.047 9.518 1.849 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.110 9.007 4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.833 11.197 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.553 10.954 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.613 12.321 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.583 10.762 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.019 10.983 5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.244 12.646 4.703 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.783 11.850 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.171 13.262 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.573 14.109 7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.262 12.942 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.201 13.928 9.097 1.00 0.00 H new ATOM 803 N LEU A 52 -3.547 8.767 2.052 1.00 0.00 N ATOM 804 CA LEU A 52 -4.845 8.150 1.797 1.00 0.00 C ATOM 805 C LEU A 52 -4.809 6.658 2.110 1.00 0.00 C ATOM 806 O LEU A 52 -5.778 6.096 2.621 1.00 0.00 O ATOM 807 CB LEU A 52 -5.258 8.368 0.341 1.00 0.00 C ATOM 808 CG LEU A 52 -6.558 7.691 -0.096 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.697 8.069 0.838 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.897 8.065 -1.532 1.00 0.00 C ATOM 0 H LEU A 52 -3.219 9.381 1.307 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.579 8.622 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.354 9.440 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.453 8.012 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.418 6.611 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.614 7.578 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.457 7.751 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.838 9.150 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.825 7.574 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.018 9.146 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.091 7.743 -2.192 1.00 0.00 H new ATOM 822 N LEU A 53 -3.685 6.021 1.801 1.00 0.00 N ATOM 823 CA LEU A 53 -3.521 4.593 2.050 1.00 0.00 C ATOM 824 C LEU A 53 -3.567 4.293 3.545 1.00 0.00 C ATOM 825 O LEU A 53 -4.300 3.408 3.990 1.00 0.00 O ATOM 826 CB LEU A 53 -2.199 4.100 1.460 1.00 0.00 C ATOM 827 CG LEU A 53 -2.068 2.588 1.274 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.727 2.241 0.647 1.00 0.00 C ATOM 829 CD2 LEU A 53 -2.238 1.871 2.606 1.00 0.00 C ATOM 0 H LEU A 53 -2.873 6.471 1.377 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.345 4.068 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.056 4.579 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.388 4.438 2.105 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.857 2.254 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.652 1.161 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.644 2.725 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.078 2.588 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.142 0.796 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.471 2.210 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.223 2.093 3.016 1.00 0.00 H new ATOM 841 N LEU A 54 -2.781 5.036 4.317 1.00 0.00 N ATOM 842 CA LEU A 54 -2.733 4.851 5.763 1.00 0.00 C ATOM 843 C LEU A 54 -4.094 5.129 6.393 1.00 0.00 C ATOM 844 O LEU A 54 -4.575 4.358 7.224 1.00 0.00 O ATOM 845 CB LEU A 54 -1.677 5.770 6.379 1.00 0.00 C ATOM 846 CG LEU A 54 -0.235 5.264 6.328 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.742 6.418 6.493 1.00 0.00 C ATOM 848 CD2 LEU A 54 -0.001 4.209 7.399 1.00 0.00 C ATOM 0 H LEU A 54 -2.168 5.772 3.966 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.465 3.814 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.721 6.733 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.942 5.947 7.421 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.066 4.807 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.763 6.039 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.592 7.139 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.572 6.904 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.031 3.861 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.190 4.640 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.676 3.369 7.236 1.00 0.00 H new ATOM 860 N THR A 55 -4.713 6.234 5.990 1.00 0.00 N ATOM 861 CA THR A 55 -6.020 6.613 6.513 1.00 0.00 C ATOM 862 C THR A 55 -7.033 5.489 6.329 1.00 0.00 C ATOM 863 O THR A 55 -7.837 5.212 7.219 1.00 0.00 O ATOM 864 CB THR A 55 -6.552 7.886 5.829 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.836 7.619 4.451 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.542 9.019 5.932 1.00 0.00 C ATOM 0 H THR A 55 -4.330 6.883 5.302 1.00 0.00 H new ATOM 0 HA THR A 55 -5.889 6.810 7.577 1.00 0.00 H new ATOM 0 HB THR A 55 -7.467 8.189 6.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.220 6.934 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.940 9.907 5.442 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.349 9.240 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.612 8.723 5.446 1.00 0.00 H new ATOM 874 N LEU A 56 -6.988 4.843 5.169 1.00 0.00 N ATOM 875 CA LEU A 56 -7.903 3.748 4.867 1.00 0.00 C ATOM 876 C LEU A 56 -7.871 2.693 5.969 1.00 0.00 C ATOM 877 O LEU A 56 -6.897 2.587 6.715 1.00 0.00 O ATOM 878 CB LEU A 56 -7.541 3.110 3.525 1.00 0.00 C ATOM 879 CG LEU A 56 -7.865 3.936 2.280 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.987 3.511 1.113 1.00 0.00 C ATOM 881 CD2 LEU A 56 -9.337 3.801 1.918 1.00 0.00 C ATOM 0 H LEU A 56 -6.328 5.059 4.422 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.912 4.156 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.473 2.893 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.060 2.155 3.448 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.660 4.984 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.232 4.110 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.939 3.660 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.160 2.458 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.549 4.396 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.568 2.755 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.950 4.156 2.747 1.00 0.00 H new ATOM 893 N THR A 57 -8.943 1.913 6.066 1.00 0.00 N ATOM 894 CA THR A 57 -9.038 0.866 7.075 1.00 0.00 C ATOM 895 C THR A 57 -9.170 -0.509 6.430 1.00 0.00 C ATOM 896 O THR A 57 -9.394 -0.620 5.226 1.00 0.00 O ATOM 897 CB THR A 57 -10.238 1.098 8.013 1.00 0.00 C ATOM 898 OG1 THR A 57 -11.458 1.075 7.264 1.00 0.00 O ATOM 899 CG2 THR A 57 -10.108 2.428 8.739 1.00 0.00 C ATOM 0 H THR A 57 -9.758 1.987 5.457 1.00 0.00 H new ATOM 0 HA THR A 57 -8.118 0.904 7.658 1.00 0.00 H new ATOM 0 HB THR A 57 -10.252 0.298 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.216 1.222 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.967 2.570 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.194 2.431 9.332 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.071 3.238 8.011 1.00 0.00 H new ATOM 907 N GLU A 58 -9.030 -1.553 7.241 1.00 0.00 N ATOM 908 CA GLU A 58 -9.134 -2.922 6.748 1.00 0.00 C ATOM 909 C GLU A 58 -10.518 -3.185 6.161 1.00 0.00 C ATOM 910 O GLU A 58 -10.691 -4.076 5.331 1.00 0.00 O ATOM 911 CB GLU A 58 -8.847 -3.917 7.874 1.00 0.00 C ATOM 912 CG GLU A 58 -8.438 -5.294 7.380 1.00 0.00 C ATOM 913 CD GLU A 58 -7.886 -6.171 8.487 1.00 0.00 C ATOM 914 OE1 GLU A 58 -8.693 -6.796 9.206 1.00 0.00 O ATOM 915 OE2 GLU A 58 -6.647 -6.231 8.635 1.00 0.00 O ATOM 0 H GLU A 58 -8.844 -1.477 8.241 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.393 -3.054 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.055 -3.517 8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.736 -4.013 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.300 -5.785 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.687 -5.187 6.598 1.00 0.00 H new ATOM 922 N GLU A 59 -11.499 -2.404 6.601 1.00 0.00 N ATOM 923 CA GLU A 59 -12.868 -2.554 6.121 1.00 0.00 C ATOM 924 C GLU A 59 -13.063 -1.821 4.797 1.00 0.00 C ATOM 925 O GLU A 59 -13.492 -2.412 3.807 1.00 0.00 O ATOM 926 CB GLU A 59 -13.857 -2.024 7.161 1.00 0.00 C ATOM 927 CG GLU A 59 -15.121 -1.436 6.555 1.00 0.00 C ATOM 928 CD GLU A 59 -16.013 -2.491 5.929 1.00 0.00 C ATOM 929 OE1 GLU A 59 -15.556 -3.173 4.989 1.00 0.00 O ATOM 930 OE2 GLU A 59 -17.168 -2.634 6.382 1.00 0.00 O ATOM 0 H GLU A 59 -11.372 -1.661 7.289 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.056 -3.616 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.131 -2.835 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.364 -1.261 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.678 -0.907 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.849 -0.700 5.798 1.00 0.00 H new ATOM 937 N GLU A 60 -12.747 -0.530 4.790 1.00 0.00 N ATOM 938 CA GLU A 60 -12.889 0.284 3.588 1.00 0.00 C ATOM 939 C GLU A 60 -12.315 -0.436 2.372 1.00 0.00 C ATOM 940 O GLU A 60 -12.935 -0.474 1.309 1.00 0.00 O ATOM 941 CB GLU A 60 -12.190 1.633 3.773 1.00 0.00 C ATOM 942 CG GLU A 60 -12.990 2.625 4.600 1.00 0.00 C ATOM 943 CD GLU A 60 -14.142 3.235 3.826 1.00 0.00 C ATOM 944 OE1 GLU A 60 -14.958 2.467 3.274 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.228 4.479 3.772 1.00 0.00 O ATOM 0 H GLU A 60 -12.391 -0.025 5.602 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.952 0.454 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.224 1.470 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.991 2.067 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.378 2.124 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.329 3.419 4.947 1.00 0.00 H new ATOM 952 N PHE A 61 -11.126 -1.007 2.536 1.00 0.00 N ATOM 953 CA PHE A 61 -10.466 -1.725 1.452 1.00 0.00 C ATOM 954 C PHE A 61 -11.358 -2.842 0.918 1.00 0.00 C ATOM 955 O PHE A 61 -11.285 -3.201 -0.257 1.00 0.00 O ATOM 956 CB PHE A 61 -9.135 -2.307 1.933 1.00 0.00 C ATOM 957 CG PHE A 61 -8.041 -1.284 2.047 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.711 -0.480 0.969 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.342 -1.127 3.234 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.704 0.462 1.070 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.336 -0.187 3.342 1.00 0.00 C ATOM 962 CZ PHE A 61 -6.015 0.608 2.258 1.00 0.00 C ATOM 0 H PHE A 61 -10.600 -0.986 3.410 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.275 -1.018 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.283 -2.779 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.819 -3.090 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.247 -0.590 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.587 -1.747 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.457 1.083 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.800 -0.073 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.227 1.342 2.340 1.00 0.00 H new ATOM 972 N SER A 62 -12.200 -3.388 1.790 1.00 0.00 N ATOM 973 CA SER A 62 -13.103 -4.467 1.408 1.00 0.00 C ATOM 974 C SER A 62 -14.478 -3.919 1.038 1.00 0.00 C ATOM 975 O SER A 62 -15.421 -4.678 0.813 1.00 0.00 O ATOM 976 CB SER A 62 -13.235 -5.478 2.549 1.00 0.00 C ATOM 977 OG SER A 62 -14.353 -6.326 2.352 1.00 0.00 O ATOM 0 H SER A 62 -12.275 -3.101 2.766 1.00 0.00 H new ATOM 0 HA SER A 62 -12.683 -4.967 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.327 -6.077 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.338 -4.950 3.497 1.00 0.00 H new ATOM 0 HG SER A 62 -14.714 -6.188 1.451 1.00 0.00 H new ATOM 983 N ARG A 63 -14.584 -2.596 0.978 1.00 0.00 N ATOM 984 CA ARG A 63 -15.843 -1.945 0.636 1.00 0.00 C ATOM 985 C ARG A 63 -15.847 -1.501 -0.824 1.00 0.00 C ATOM 986 O ARG A 63 -16.446 -2.152 -1.679 1.00 0.00 O ATOM 987 CB ARG A 63 -16.082 -0.739 1.548 1.00 0.00 C ATOM 988 CG ARG A 63 -16.351 -1.115 2.996 1.00 0.00 C ATOM 989 CD ARG A 63 -17.615 -1.950 3.129 1.00 0.00 C ATOM 990 NE ARG A 63 -18.289 -1.723 4.405 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.557 -2.047 4.634 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.284 -2.608 3.679 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.099 -1.809 5.822 1.00 0.00 N ATOM 0 H ARG A 63 -13.813 -1.954 1.162 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.647 -2.667 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -15.211 -0.085 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.928 -0.168 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.502 -1.672 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.446 -0.210 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -18.295 -1.710 2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.363 -3.006 3.035 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.757 -1.292 5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.870 -2.792 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.257 -2.856 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -19.542 -1.377 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.072 -2.058 5.998 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.176 -0.387 -1.100 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.101 0.143 -2.456 1.00 0.00 C ATOM 1009 C ALA A 64 -14.227 1.391 -2.510 1.00 0.00 C ATOM 1010 O ALA A 64 -14.085 2.121 -1.528 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.496 0.450 -2.980 1.00 0.00 C ATOM 0 H ALA A 64 -14.677 0.165 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.645 -0.616 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.425 0.845 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.091 -0.463 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -16.973 1.188 -2.335 1.00 0.00 H new ATOM 1017 N PRO A 65 -13.627 1.644 -3.682 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.789 0.782 -4.857 1.00 0.00 C ATOM 1019 C PRO A 65 -13.101 -0.568 -4.684 1.00 0.00 C ATOM 1020 O PRO A 65 -13.638 -1.604 -5.077 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.122 1.582 -5.978 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.135 2.456 -5.285 1.00 0.00 C ATOM 1023 CD PRO A 65 -12.743 2.791 -3.951 1.00 0.00 C ATOM 0 HA PRO A 65 -14.836 0.545 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.632 0.924 -6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.852 2.172 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.180 1.945 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.940 3.359 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.982 2.902 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.299 3.728 -3.987 1.00 0.00 H new ATOM 1031 N TYR A 66 -11.912 -0.549 -4.094 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.150 -1.773 -3.871 1.00 0.00 C ATOM 1033 C TYR A 66 -12.077 -2.942 -3.556 1.00 0.00 C ATOM 1034 O TYR A 66 -11.903 -4.046 -4.074 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.153 -1.576 -2.728 1.00 0.00 C ATOM 1036 CG TYR A 66 -9.560 -0.186 -2.673 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -8.735 0.279 -3.690 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -9.825 0.662 -1.605 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -8.191 1.548 -3.643 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -9.287 1.933 -1.551 1.00 0.00 C ATOM 1041 CZ TYR A 66 -8.471 2.371 -2.573 1.00 0.00 C ATOM 1042 OH TYR A 66 -7.931 3.637 -2.522 1.00 0.00 O ATOM 0 H TYR A 66 -11.454 0.300 -3.761 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.604 -2.003 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.652 -1.787 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.347 -2.302 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.516 -0.362 -4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.463 0.321 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.550 1.894 -4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.504 2.580 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.228 4.086 -1.703 1.00 0.00 H new ATOM 1052 N THR A 67 -13.066 -2.693 -2.703 1.00 0.00 N ATOM 1053 CA THR A 67 -14.021 -3.723 -2.317 1.00 0.00 C ATOM 1054 C THR A 67 -13.338 -5.077 -2.164 1.00 0.00 C ATOM 1055 O THR A 67 -13.967 -6.123 -2.331 1.00 0.00 O ATOM 1056 CB THR A 67 -15.159 -3.849 -3.349 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.214 -4.658 -2.818 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.648 -4.459 -4.646 1.00 0.00 C ATOM 0 H THR A 67 -13.226 -1.785 -2.266 1.00 0.00 H new ATOM 0 HA THR A 67 -14.441 -3.421 -1.358 1.00 0.00 H new ATOM 0 HB THR A 67 -15.540 -2.850 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.844 -5.503 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.469 -4.538 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.865 -3.825 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.244 -5.451 -4.447 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.048 -5.051 -1.847 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.281 -6.278 -1.669 1.00 0.00 C ATOM 1068 C ILE A 68 -12.146 -7.387 -1.081 1.00 0.00 C ATOM 1069 O ILE A 68 -12.379 -7.431 0.126 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.062 -6.052 -0.754 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.076 -5.084 -1.411 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.383 -7.377 -0.441 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -7.946 -4.662 -0.498 1.00 0.00 C ATOM 0 H ILE A 68 -11.512 -4.194 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.933 -6.579 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.405 -5.611 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.657 -5.553 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.616 -4.197 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.524 -7.202 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.089 -8.037 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.050 -7.843 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.286 -3.976 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.355 -4.164 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.382 -5.541 -0.187 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.617 -8.283 -1.944 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.455 -9.394 -1.509 1.00 0.00 C ATOM 1087 C GLU A 69 -12.602 -10.580 -1.069 1.00 0.00 C ATOM 1088 O GLU A 69 -13.035 -11.729 -1.139 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.400 -9.820 -2.634 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.197 -8.671 -3.228 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.233 -9.137 -4.232 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -15.873 -9.329 -5.412 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.405 -9.309 -3.837 1.00 0.00 O ATOM 0 H GLU A 69 -12.432 -8.261 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.045 -9.058 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.819 -10.295 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.091 -10.571 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.694 -8.125 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.515 -7.973 -3.713 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.385 -10.291 -0.617 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.470 -11.334 -0.168 1.00 0.00 C ATOM 1102 C ASN A 70 -9.662 -10.865 1.039 1.00 0.00 C ATOM 1103 O ASN A 70 -8.743 -10.057 0.907 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.526 -11.737 -1.303 1.00 0.00 C ATOM 1105 CG ASN A 70 -9.026 -13.161 -1.160 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -9.796 -14.115 -1.272 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.730 -13.311 -0.913 1.00 0.00 N ATOM 0 H ASN A 70 -11.011 -9.344 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.062 -12.200 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.043 -11.630 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.675 -11.056 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.336 -14.246 -0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.129 -12.491 -0.828 1.00 0.00 H new ATOM 1114 N SER A 71 -10.012 -11.379 2.214 1.00 0.00 N ATOM 1115 CA SER A 71 -9.321 -11.011 3.444 1.00 0.00 C ATOM 1116 C SER A 71 -7.813 -11.183 3.294 1.00 0.00 C ATOM 1117 O SER A 71 -7.045 -10.245 3.509 1.00 0.00 O ATOM 1118 CB SER A 71 -9.829 -11.859 4.612 1.00 0.00 C ATOM 1119 OG SER A 71 -11.243 -11.813 4.699 1.00 0.00 O ATOM 0 H SER A 71 -10.769 -12.051 2.340 1.00 0.00 H new ATOM 0 HA SER A 71 -9.530 -9.961 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.503 -12.891 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.392 -11.499 5.544 1.00 0.00 H new ATOM 0 HG SER A 71 -11.543 -12.364 5.452 1.00 0.00 H new ATOM 1125 N SER A 72 -7.396 -12.389 2.923 1.00 0.00 N ATOM 1126 CA SER A 72 -5.979 -12.687 2.747 1.00 0.00 C ATOM 1127 C SER A 72 -5.232 -11.473 2.204 1.00 0.00 C ATOM 1128 O SER A 72 -4.225 -11.045 2.769 1.00 0.00 O ATOM 1129 CB SER A 72 -5.800 -13.875 1.800 1.00 0.00 C ATOM 1130 OG SER A 72 -5.883 -15.104 2.501 1.00 0.00 O ATOM 0 H SER A 72 -8.019 -13.176 2.738 1.00 0.00 H new ATOM 0 HA SER A 72 -5.563 -12.942 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.564 -13.843 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.834 -13.803 1.300 1.00 0.00 H new ATOM 0 HG SER A 72 -5.767 -15.847 1.873 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.732 -10.921 1.103 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.114 -9.755 0.483 1.00 0.00 C ATOM 1138 C HIS A 73 -5.019 -8.599 1.473 1.00 0.00 C ATOM 1139 O HIS A 73 -3.962 -7.988 1.630 1.00 0.00 O ATOM 1140 CB HIS A 73 -5.910 -9.323 -0.749 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.438 -8.033 -1.345 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.280 -7.145 -1.981 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.203 -7.482 -1.399 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.583 -6.104 -2.401 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.319 -6.284 -2.060 1.00 0.00 N ATOM 0 H HIS A 73 -6.564 -11.263 0.622 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.105 -10.030 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.849 -10.107 -1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.961 -9.225 -0.476 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.284 -7.272 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.295 -7.906 -0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.979 -5.251 -2.932 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.131 -8.304 2.139 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.174 -7.219 3.113 1.00 0.00 C ATOM 1156 C ARG A 74 -5.120 -7.421 4.197 1.00 0.00 C ATOM 1157 O ARG A 74 -4.394 -6.491 4.552 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.563 -7.129 3.747 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.557 -6.327 2.924 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.875 -6.147 3.662 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.702 -7.350 3.607 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.663 -7.622 4.483 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -11.916 -6.781 5.476 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.372 -8.737 4.366 1.00 0.00 N ATOM 0 H ARG A 74 -7.014 -8.801 2.022 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.960 -6.286 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.953 -8.136 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.474 -6.677 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.133 -5.350 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.736 -6.832 1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.676 -5.891 4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.422 -5.311 3.228 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.532 -8.018 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.372 -5.923 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.654 -6.992 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.179 -9.386 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.110 -8.945 5.039 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.041 -8.640 4.720 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.078 -8.963 5.765 1.00 0.00 C ATOM 1180 C ARG A 75 -2.661 -8.598 5.330 1.00 0.00 C ATOM 1181 O ARG A 75 -1.869 -8.088 6.123 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.148 -10.451 6.111 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.194 -10.865 7.220 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.845 -11.292 6.663 1.00 0.00 C ATOM 1185 NE ARG A 75 -0.823 -11.369 7.703 1.00 0.00 N ATOM 1186 CZ ARG A 75 0.280 -12.102 7.598 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.502 -12.817 6.504 1.00 0.00 N ATOM 1188 NH2 ARG A 75 1.163 -12.120 8.588 1.00 0.00 N ATOM 0 H ARG A 75 -5.633 -9.421 4.437 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.331 -8.379 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.167 -10.698 6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.927 -11.034 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.057 -10.034 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.630 -11.686 7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.944 -12.264 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.529 -10.585 5.896 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.964 -10.830 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.175 -12.805 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.350 -13.379 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.995 -11.571 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.009 -12.683 8.506 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.349 -8.863 4.066 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.029 -8.561 3.525 1.00 0.00 C ATOM 1204 C VAL A 76 -0.757 -7.061 3.541 1.00 0.00 C ATOM 1205 O VAL A 76 0.283 -6.614 4.025 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.880 -9.083 2.083 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.516 -8.795 1.552 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.187 -10.572 2.022 1.00 0.00 C ATOM 0 H VAL A 76 -2.992 -9.286 3.397 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.303 -9.065 4.163 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.597 -8.561 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.602 -9.171 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.693 -7.719 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.255 -9.288 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.077 -10.924 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.495 -11.113 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.209 -10.747 2.358 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.699 -6.289 3.010 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.562 -4.839 2.966 1.00 0.00 C ATOM 1220 C ILE A 77 -1.471 -4.252 4.370 1.00 0.00 C ATOM 1221 O ILE A 77 -0.436 -3.710 4.762 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.743 -4.185 2.224 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.737 -4.595 0.750 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.679 -2.670 2.358 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.868 -3.987 -0.051 1.00 0.00 C ATOM 0 H ILE A 77 -2.565 -6.644 2.604 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.640 -4.625 2.425 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.673 -4.531 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.787 -4.301 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.798 -5.681 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.520 -2.222 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.726 -2.396 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.745 -2.306 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.801 -4.321 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.823 -4.302 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.796 -2.900 -0.015 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.559 -4.364 5.124 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.602 -3.846 6.487 1.00 0.00 C ATOM 1239 C LEU A 78 -1.350 -4.246 7.261 1.00 0.00 C ATOM 1240 O LEU A 78 -0.579 -3.393 7.702 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.849 -4.359 7.210 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.135 -3.567 6.973 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.055 -2.206 7.647 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.400 -3.412 5.483 1.00 0.00 C ATOM 0 H LEU A 78 -3.423 -4.809 4.815 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.642 -2.758 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.021 -5.392 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.645 -4.370 8.281 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.965 -4.119 7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.979 -1.656 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.914 -2.339 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.214 -1.646 7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.319 -2.846 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.568 -2.882 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.503 -4.397 5.027 1.00 0.00 H new ATOM 1256 N THR A 79 -1.153 -5.551 7.423 1.00 0.00 N ATOM 1257 CA THR A 79 0.006 -6.065 8.143 1.00 0.00 C ATOM 1258 C THR A 79 1.289 -5.391 7.672 1.00 0.00 C ATOM 1259 O THR A 79 1.952 -4.694 8.440 1.00 0.00 O ATOM 1260 CB THR A 79 0.145 -7.589 7.967 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.972 -8.256 8.566 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.437 -8.090 8.594 1.00 0.00 C ATOM 0 H THR A 79 -1.781 -6.271 7.065 1.00 0.00 H new ATOM 0 HA THR A 79 -0.152 -5.841 9.198 1.00 0.00 H new ATOM 0 HB THR A 79 0.168 -7.808 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.681 -8.371 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.513 -9.169 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.287 -7.603 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.438 -7.858 9.659 1.00 0.00 H new ATOM 1270 N GLU A 80 1.634 -5.604 6.406 1.00 0.00 N ATOM 1271 CA GLU A 80 2.840 -5.016 5.834 1.00 0.00 C ATOM 1272 C GLU A 80 2.892 -3.514 6.102 1.00 0.00 C ATOM 1273 O GLU A 80 3.965 -2.948 6.316 1.00 0.00 O ATOM 1274 CB GLU A 80 2.897 -5.279 4.328 1.00 0.00 C ATOM 1275 CG GLU A 80 3.233 -6.718 3.974 1.00 0.00 C ATOM 1276 CD GLU A 80 4.726 -6.956 3.854 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.448 -6.010 3.476 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.171 -8.087 4.139 1.00 0.00 O ATOM 0 H GLU A 80 1.096 -6.179 5.757 1.00 0.00 H new ATOM 0 HA GLU A 80 3.703 -5.483 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.935 -5.020 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.641 -4.620 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.823 -7.381 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.750 -6.979 3.032 1.00 0.00 H new ATOM 1285 N LEU A 81 1.727 -2.876 6.088 1.00 0.00 N ATOM 1286 CA LEU A 81 1.639 -1.440 6.329 1.00 0.00 C ATOM 1287 C LEU A 81 2.013 -1.105 7.769 1.00 0.00 C ATOM 1288 O LEU A 81 2.650 -0.086 8.034 1.00 0.00 O ATOM 1289 CB LEU A 81 0.226 -0.938 6.026 1.00 0.00 C ATOM 1290 CG LEU A 81 0.099 0.549 5.696 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.458 0.806 4.241 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.310 1.043 5.994 1.00 0.00 C ATOM 0 H LEU A 81 0.831 -3.330 5.912 1.00 0.00 H new ATOM 0 HA LEU A 81 2.345 -0.941 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.170 -1.511 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.407 -1.154 6.887 1.00 0.00 H new ATOM 0 HG LEU A 81 0.798 1.101 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.362 1.870 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.485 0.490 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.215 0.242 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.382 2.104 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.026 0.484 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.531 0.895 7.051 1.00 0.00 H new ATOM 1304 N GLU A 82 1.613 -1.971 8.695 1.00 0.00 N ATOM 1305 CA GLU A 82 1.907 -1.767 10.109 1.00 0.00 C ATOM 1306 C GLU A 82 3.413 -1.719 10.350 1.00 0.00 C ATOM 1307 O GLU A 82 3.879 -1.122 11.320 1.00 0.00 O ATOM 1308 CB GLU A 82 1.280 -2.881 10.949 1.00 0.00 C ATOM 1309 CG GLU A 82 1.464 -2.692 12.446 1.00 0.00 C ATOM 1310 CD GLU A 82 0.574 -1.601 13.009 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.658 -1.802 13.052 1.00 0.00 O ATOM 1312 OE2 GLU A 82 1.110 -0.546 13.407 1.00 0.00 O ATOM 0 H GLU A 82 1.085 -2.820 8.492 1.00 0.00 H new ATOM 0 HA GLU A 82 1.478 -0.811 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.214 -2.936 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.717 -3.836 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.249 -3.631 12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.506 -2.448 12.652 1.00 0.00 H new ATOM 1319 N ARG A 83 4.169 -2.354 9.459 1.00 0.00 N ATOM 1320 CA ARG A 83 5.622 -2.386 9.575 1.00 0.00 C ATOM 1321 C ARG A 83 6.241 -1.114 9.004 1.00 0.00 C ATOM 1322 O ARG A 83 6.851 -0.328 9.728 1.00 0.00 O ATOM 1323 CB ARG A 83 6.186 -3.610 8.852 1.00 0.00 C ATOM 1324 CG ARG A 83 5.458 -4.903 9.184 1.00 0.00 C ATOM 1325 CD ARG A 83 6.368 -6.111 9.027 1.00 0.00 C ATOM 1326 NE ARG A 83 6.413 -6.587 7.647 1.00 0.00 N ATOM 1327 CZ ARG A 83 7.380 -7.361 7.167 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.377 -7.745 7.953 1.00 0.00 N ATOM 1329 NH2 ARG A 83 7.351 -7.753 5.900 1.00 0.00 N ATOM 0 H ARG A 83 3.799 -2.853 8.650 1.00 0.00 H new ATOM 0 HA ARG A 83 5.876 -2.449 10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.136 -3.441 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.240 -3.720 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.084 -4.859 10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.591 -5.012 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.375 -5.851 9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.019 -6.914 9.676 1.00 0.00 H new ATOM 0 HE ARG A 83 5.660 -6.310 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.402 -7.446 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.119 -8.339 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.585 -7.460 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.094 -8.347 5.533 1.00 0.00 H new ATOM 1343 N VAL A 84 6.080 -0.918 7.699 1.00 0.00 N ATOM 1344 CA VAL A 84 6.623 0.258 7.029 1.00 0.00 C ATOM 1345 C VAL A 84 6.354 1.523 7.837 1.00 0.00 C ATOM 1346 O VAL A 84 7.236 2.366 8.001 1.00 0.00 O ATOM 1347 CB VAL A 84 6.026 0.426 5.619 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.591 -0.622 4.672 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.508 0.348 5.671 1.00 0.00 C ATOM 0 H VAL A 84 5.578 -1.559 7.085 1.00 0.00 H new ATOM 0 HA VAL A 84 7.699 0.106 6.944 1.00 0.00 H new ATOM 0 HB VAL A 84 6.303 1.410 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.158 -0.488 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.674 -0.513 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.347 -1.617 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.103 0.469 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.207 -0.621 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.125 1.140 6.314 1.00 0.00 H new ATOM 1359 N ARG A 85 5.130 1.648 8.340 1.00 0.00 N ATOM 1360 CA ARG A 85 4.745 2.810 9.131 1.00 0.00 C ATOM 1361 C ARG A 85 5.412 2.780 10.503 1.00 0.00 C ATOM 1362 O ARG A 85 5.901 3.799 10.989 1.00 0.00 O ATOM 1363 CB ARG A 85 3.224 2.863 9.292 1.00 0.00 C ATOM 1364 CG ARG A 85 2.708 2.044 10.464 1.00 0.00 C ATOM 1365 CD ARG A 85 1.221 2.272 10.690 1.00 0.00 C ATOM 1366 NE ARG A 85 0.970 3.383 11.603 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.234 3.695 12.068 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.293 2.982 11.708 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -0.382 4.721 12.896 1.00 0.00 N ATOM 0 H ARG A 85 4.389 0.959 8.214 1.00 0.00 H new ATOM 0 HA ARG A 85 5.079 3.704 8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.916 3.901 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.757 2.504 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.891 0.986 10.279 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.259 2.310 11.366 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.736 2.471 9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.772 1.364 11.092 1.00 0.00 H new ATOM 0 HE ARG A 85 1.763 3.951 11.900 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.184 2.192 11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.217 3.224 12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.430 5.271 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.308 4.959 13.252 1.00 0.00 H new