USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 28 THR OG1 : rot 180:sc= 0.173! USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 8 GLN : amide:sc= -2.25 K(o=-2.3,f=-3!) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= -0.309 (180deg=-0.376) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -76:sc= 0.361 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.1!) USER MOD Single : A 42 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 49 GLN : amide:sc= -0.635 K(o=-0.64,f=-2.4!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc= -5.79! C(o=-5.8!,f=-13!) USER MOD Single : A 62 THR OG1 : rot -69:sc= -0.0971 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.899 -13.799 3.648 1.00 0.00 N ATOM 106 CA GLU A 7 -14.004 -14.911 3.378 1.00 0.00 C ATOM 107 C GLU A 7 -12.982 -14.522 2.308 1.00 0.00 C ATOM 108 O GLU A 7 -11.802 -14.848 2.424 1.00 0.00 O ATOM 109 CB GLU A 7 -14.787 -16.157 2.961 1.00 0.00 C ATOM 110 CG GLU A 7 -15.787 -16.565 4.045 1.00 0.00 C ATOM 111 CD GLU A 7 -15.534 -17.999 4.513 1.00 0.00 C ATOM 112 OE1 GLU A 7 -14.386 -18.265 4.932 1.00 0.00 O ATOM 113 OE2 GLU A 7 -16.493 -18.797 4.442 1.00 0.00 O ATOM 0 HA GLU A 7 -13.467 -15.150 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.316 -15.963 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.096 -16.978 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.709 -15.883 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.803 -16.479 3.659 1.00 0.00 H new ATOM 120 N GLN A 8 -13.473 -13.830 1.290 1.00 0.00 N ATOM 121 CA GLN A 8 -12.617 -13.393 0.200 1.00 0.00 C ATOM 122 C GLN A 8 -11.576 -12.395 0.710 1.00 0.00 C ATOM 123 O GLN A 8 -10.389 -12.524 0.414 1.00 0.00 O ATOM 124 CB GLN A 8 -13.443 -12.790 -0.938 1.00 0.00 C ATOM 125 CG GLN A 8 -13.100 -13.451 -2.274 1.00 0.00 C ATOM 126 CD GLN A 8 -13.256 -14.971 -2.191 1.00 0.00 C ATOM 127 OE1 GLN A 8 -12.374 -15.732 -2.552 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.426 -15.368 -1.697 1.00 0.00 N ATOM 0 H GLN A 8 -14.453 -13.561 1.197 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.094 -14.263 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.505 -12.916 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.256 -11.718 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.750 -13.058 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.077 -13.202 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.121 -14.677 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.628 -16.363 -1.602 1.00 0.00 H new ATOM 137 N ILE A 9 -12.058 -11.421 1.468 1.00 0.00 N ATOM 138 CA ILE A 9 -11.184 -10.401 2.022 1.00 0.00 C ATOM 139 C ILE A 9 -10.019 -11.074 2.749 1.00 0.00 C ATOM 140 O ILE A 9 -8.863 -10.696 2.561 1.00 0.00 O ATOM 141 CB ILE A 9 -11.980 -9.433 2.900 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.608 -7.981 2.592 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.804 -9.767 4.383 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.561 -7.379 1.557 1.00 0.00 C ATOM 0 H ILE A 9 -13.043 -11.317 1.712 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.755 -9.793 1.225 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.038 -9.551 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.641 -7.391 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.585 -7.935 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.380 -9.064 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.157 -10.781 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.750 -9.694 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.275 -6.347 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.508 -7.957 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.580 -7.404 1.943 1.00 0.00 H new ATOM 156 N ALA A 10 -10.362 -12.061 3.564 1.00 0.00 N ATOM 157 CA ALA A 10 -9.358 -12.791 4.320 1.00 0.00 C ATOM 158 C ALA A 10 -8.147 -13.060 3.424 1.00 0.00 C ATOM 159 O ALA A 10 -7.007 -12.999 3.881 1.00 0.00 O ATOM 160 CB ALA A 10 -9.972 -14.078 4.874 1.00 0.00 C ATOM 0 H ALA A 10 -11.321 -12.372 3.717 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.014 -12.202 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.219 -14.626 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.809 -13.830 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.326 -14.697 4.049 1.00 0.00 H new ATOM 166 N GLU A 11 -8.437 -13.353 2.165 1.00 0.00 N ATOM 167 CA GLU A 11 -7.386 -13.633 1.201 1.00 0.00 C ATOM 168 C GLU A 11 -6.612 -12.354 0.874 1.00 0.00 C ATOM 169 O GLU A 11 -5.383 -12.361 0.833 1.00 0.00 O ATOM 170 CB GLU A 11 -7.960 -14.266 -0.068 1.00 0.00 C ATOM 171 CG GLU A 11 -8.604 -15.619 0.238 1.00 0.00 C ATOM 172 CD GLU A 11 -9.114 -16.286 -1.041 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.310 -17.018 -1.659 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.295 -16.048 -1.374 1.00 0.00 O ATOM 0 H GLU A 11 -9.384 -13.403 1.790 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.695 -14.350 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.700 -13.598 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.167 -14.395 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.878 -16.269 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.430 -15.483 0.936 1.00 0.00 H new ATOM 181 N PHE A 12 -7.364 -11.286 0.650 1.00 0.00 N ATOM 182 CA PHE A 12 -6.764 -10.002 0.328 1.00 0.00 C ATOM 183 C PHE A 12 -5.796 -9.558 1.427 1.00 0.00 C ATOM 184 O PHE A 12 -4.793 -8.904 1.148 1.00 0.00 O ATOM 185 CB PHE A 12 -7.905 -8.988 0.230 1.00 0.00 C ATOM 186 CG PHE A 12 -8.620 -8.985 -1.123 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.548 -9.938 -1.404 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.327 -8.028 -2.045 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.212 -9.935 -2.659 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.991 -8.025 -3.300 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.919 -8.979 -3.581 1.00 0.00 C ATOM 0 H PHE A 12 -8.383 -11.284 0.685 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.204 -10.076 -0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.633 -9.199 1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.509 -7.991 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.780 -10.698 -0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.590 -7.271 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.950 -10.692 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.759 -7.265 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.423 -8.977 -4.536 1.00 0.00 H new ATOM 201 N LYS A 13 -6.131 -9.933 2.653 1.00 0.00 N ATOM 202 CA LYS A 13 -5.304 -9.581 3.795 1.00 0.00 C ATOM 203 C LYS A 13 -3.829 -9.724 3.414 1.00 0.00 C ATOM 204 O LYS A 13 -3.063 -8.767 3.516 1.00 0.00 O ATOM 205 CB LYS A 13 -5.705 -10.405 5.020 1.00 0.00 C ATOM 206 CG LYS A 13 -7.046 -9.931 5.585 1.00 0.00 C ATOM 207 CD LYS A 13 -7.143 -10.222 7.083 1.00 0.00 C ATOM 208 CE LYS A 13 -7.696 -11.627 7.334 1.00 0.00 C ATOM 209 NZ LYS A 13 -9.149 -11.571 7.611 1.00 0.00 N ATOM 0 H LYS A 13 -6.963 -10.477 2.880 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.462 -8.539 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.773 -11.458 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.934 -10.323 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.160 -8.861 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.862 -10.428 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.158 -10.128 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.787 -9.483 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.510 -12.258 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.177 -12.083 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.533 -12.537 7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.310 -11.102 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.626 -11.035 6.858 1.00 0.00 H new ATOM 223 N GLU A 14 -3.476 -10.925 2.982 1.00 0.00 N ATOM 224 CA GLU A 14 -2.106 -11.205 2.586 1.00 0.00 C ATOM 225 C GLU A 14 -1.626 -10.169 1.568 1.00 0.00 C ATOM 226 O GLU A 14 -0.478 -9.731 1.616 1.00 0.00 O ATOM 227 CB GLU A 14 -1.976 -12.624 2.027 1.00 0.00 C ATOM 228 CG GLU A 14 -2.258 -13.667 3.110 1.00 0.00 C ATOM 229 CD GLU A 14 -1.395 -14.915 2.906 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.740 -15.701 1.998 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.411 -15.054 3.664 1.00 0.00 O ATOM 0 H GLU A 14 -4.115 -11.716 2.897 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.472 -11.138 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.671 -12.758 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.972 -12.771 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.059 -13.239 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.313 -13.942 3.090 1.00 0.00 H new ATOM 238 N ALA A 15 -2.530 -9.806 0.669 1.00 0.00 N ATOM 239 CA ALA A 15 -2.213 -8.829 -0.359 1.00 0.00 C ATOM 240 C ALA A 15 -1.637 -7.573 0.297 1.00 0.00 C ATOM 241 O ALA A 15 -0.559 -7.112 -0.075 1.00 0.00 O ATOM 242 CB ALA A 15 -3.466 -8.533 -1.186 1.00 0.00 C ATOM 0 H ALA A 15 -3.482 -10.171 0.631 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.458 -9.220 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.228 -7.800 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.818 -9.452 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.246 -8.136 -0.536 1.00 0.00 H new ATOM 248 N PHE A 16 -2.381 -7.055 1.263 1.00 0.00 N ATOM 249 CA PHE A 16 -1.958 -5.861 1.975 1.00 0.00 C ATOM 250 C PHE A 16 -0.528 -6.013 2.499 1.00 0.00 C ATOM 251 O PHE A 16 0.242 -5.054 2.497 1.00 0.00 O ATOM 252 CB PHE A 16 -2.907 -5.687 3.162 1.00 0.00 C ATOM 253 CG PHE A 16 -2.713 -4.377 3.928 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.110 -3.200 3.374 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.144 -4.390 5.163 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.930 -1.985 4.085 1.00 0.00 C ATOM 257 CE2 PHE A 16 -1.964 -3.174 5.874 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.360 -1.997 5.321 1.00 0.00 C ATOM 0 H PHE A 16 -3.274 -7.440 1.569 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.982 -5.001 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.935 -5.737 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.769 -6.522 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.562 -3.190 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.829 -5.325 5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.245 -1.050 3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.512 -3.184 6.855 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.222 -1.072 5.862 1.00 0.00 H new ATOM 268 N SER A 17 -0.217 -7.224 2.935 1.00 0.00 N ATOM 269 CA SER A 17 1.106 -7.514 3.460 1.00 0.00 C ATOM 270 C SER A 17 2.172 -7.152 2.424 1.00 0.00 C ATOM 271 O SER A 17 3.109 -6.415 2.724 1.00 0.00 O ATOM 272 CB SER A 17 1.231 -8.986 3.857 1.00 0.00 C ATOM 273 OG SER A 17 0.178 -9.397 4.725 1.00 0.00 O ATOM 0 H SER A 17 -0.859 -8.017 2.936 1.00 0.00 H new ATOM 0 HA SER A 17 1.258 -6.910 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.224 -9.605 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.190 -9.149 4.349 1.00 0.00 H new ATOM 0 HG SER A 17 0.293 -10.343 4.954 1.00 0.00 H new ATOM 279 N LEU A 18 1.991 -7.686 1.225 1.00 0.00 N ATOM 280 CA LEU A 18 2.926 -7.428 0.143 1.00 0.00 C ATOM 281 C LEU A 18 3.452 -5.996 0.259 1.00 0.00 C ATOM 282 O LEU A 18 4.660 -5.768 0.206 1.00 0.00 O ATOM 283 CB LEU A 18 2.279 -7.737 -1.209 1.00 0.00 C ATOM 284 CG LEU A 18 2.886 -8.903 -1.992 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.051 -10.173 -1.819 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.071 -8.535 -3.466 1.00 0.00 C ATOM 0 H LEU A 18 1.211 -8.296 0.979 1.00 0.00 H new ATOM 0 HA LEU A 18 3.787 -8.092 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.222 -7.947 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.333 -6.842 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 18 3.876 -9.110 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.504 -10.986 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.014 -10.443 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.039 -9.996 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.504 -9.381 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.104 -8.286 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.737 -7.676 -3.546 1.00 0.00 H new ATOM 298 N PHE A 19 2.519 -5.068 0.417 1.00 0.00 N ATOM 299 CA PHE A 19 2.874 -3.664 0.542 1.00 0.00 C ATOM 300 C PHE A 19 3.367 -3.347 1.955 1.00 0.00 C ATOM 301 O PHE A 19 4.412 -2.721 2.126 1.00 0.00 O ATOM 302 CB PHE A 19 1.605 -2.856 0.263 1.00 0.00 C ATOM 303 CG PHE A 19 1.173 -2.863 -1.204 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.667 -1.933 -2.064 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.293 -3.801 -1.649 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.265 -1.940 -3.426 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.108 -3.808 -3.011 1.00 0.00 C ATOM 308 CZ PHE A 19 0.386 -2.877 -3.871 1.00 0.00 C ATOM 0 H PHE A 19 1.518 -5.261 0.461 1.00 0.00 H new ATOM 0 HA PHE A 19 3.674 -3.418 -0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.793 -3.253 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.766 -1.825 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.365 -1.189 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.100 -4.540 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.658 -1.201 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.806 -4.553 -3.364 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.080 -2.882 -4.907 1.00 0.00 H new ATOM 318 N ASP A 20 2.591 -3.794 2.932 1.00 0.00 N ATOM 319 CA ASP A 20 2.936 -3.565 4.325 1.00 0.00 C ATOM 320 C ASP A 20 3.988 -4.587 4.760 1.00 0.00 C ATOM 321 O ASP A 20 3.655 -5.612 5.352 1.00 0.00 O ATOM 322 CB ASP A 20 1.713 -3.731 5.229 1.00 0.00 C ATOM 323 CG ASP A 20 1.999 -3.631 6.729 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.110 -3.169 7.065 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.100 -4.020 7.505 1.00 0.00 O ATOM 0 H ASP A 20 1.725 -4.313 2.787 1.00 0.00 H new ATOM 0 HA ASP A 20 3.316 -2.548 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.978 -2.971 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.258 -4.700 5.025 1.00 0.00 H new ATOM 330 N LYS A 21 5.237 -4.272 4.449 1.00 0.00 N ATOM 331 CA LYS A 21 6.340 -5.150 4.800 1.00 0.00 C ATOM 332 C LYS A 21 6.394 -5.310 6.321 1.00 0.00 C ATOM 333 O LYS A 21 6.662 -6.399 6.825 1.00 0.00 O ATOM 334 CB LYS A 21 7.646 -4.640 4.188 1.00 0.00 C ATOM 335 CG LYS A 21 8.699 -5.749 4.141 1.00 0.00 C ATOM 336 CD LYS A 21 8.787 -6.363 2.742 1.00 0.00 C ATOM 337 CE LYS A 21 7.949 -7.640 2.650 1.00 0.00 C ATOM 338 NZ LYS A 21 6.864 -7.477 1.657 1.00 0.00 N ATOM 0 H LYS A 21 5.509 -3.421 3.958 1.00 0.00 H new ATOM 0 HA LYS A 21 6.185 -6.144 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.459 -4.268 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.022 -3.801 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.670 -5.345 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.450 -6.523 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.440 -5.642 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.827 -6.588 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.585 -8.480 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.525 -7.875 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.305 -8.352 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.248 -6.689 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.275 -7.275 0.723 1.00 0.00 H new ATOM 352 N ASP A 22 6.136 -4.207 7.009 1.00 0.00 N ATOM 353 CA ASP A 22 6.152 -4.212 8.462 1.00 0.00 C ATOM 354 C ASP A 22 4.990 -5.062 8.979 1.00 0.00 C ATOM 355 O ASP A 22 5.026 -5.548 10.108 1.00 0.00 O ATOM 356 CB ASP A 22 5.986 -2.796 9.019 1.00 0.00 C ATOM 357 CG ASP A 22 6.899 -1.742 8.390 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.922 -2.156 7.802 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.555 -0.547 8.511 1.00 0.00 O ATOM 0 H ASP A 22 5.915 -3.305 6.587 1.00 0.00 H new ATOM 0 HA ASP A 22 7.110 -4.618 8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.950 -2.487 8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.171 -2.820 10.093 1.00 0.00 H new ATOM 364 N GLY A 23 3.988 -5.217 8.126 1.00 0.00 N ATOM 365 CA GLY A 23 2.817 -6.001 8.482 1.00 0.00 C ATOM 366 C GLY A 23 2.162 -5.461 9.755 1.00 0.00 C ATOM 367 O GLY A 23 1.356 -6.147 10.381 1.00 0.00 O ATOM 0 H GLY A 23 3.963 -4.813 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.099 -5.981 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.103 -7.042 8.630 1.00 0.00 H new ATOM 371 N ASP A 24 2.534 -4.237 10.100 1.00 0.00 N ATOM 372 CA ASP A 24 1.993 -3.598 11.287 1.00 0.00 C ATOM 373 C ASP A 24 0.475 -3.467 11.144 1.00 0.00 C ATOM 374 O ASP A 24 -0.259 -3.619 12.119 1.00 0.00 O ATOM 375 CB ASP A 24 2.573 -2.194 11.469 1.00 0.00 C ATOM 376 CG ASP A 24 2.408 -1.265 10.265 1.00 0.00 C ATOM 377 OD1 ASP A 24 2.081 -1.794 9.181 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.614 -0.047 10.455 1.00 0.00 O ATOM 0 H ASP A 24 3.203 -3.671 9.578 1.00 0.00 H new ATOM 0 HA ASP A 24 2.255 -4.211 12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.099 -1.731 12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.635 -2.283 11.697 1.00 0.00 H new ATOM 383 N GLY A 25 0.050 -3.188 9.921 1.00 0.00 N ATOM 384 CA GLY A 25 -1.367 -3.036 9.638 1.00 0.00 C ATOM 385 C GLY A 25 -1.627 -1.785 8.796 1.00 0.00 C ATOM 386 O GLY A 25 -2.752 -1.549 8.359 1.00 0.00 O ATOM 0 H GLY A 25 0.662 -3.063 9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.732 -3.917 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.923 -2.971 10.573 1.00 0.00 H new ATOM 390 N THR A 26 -0.566 -1.016 8.593 1.00 0.00 N ATOM 391 CA THR A 26 -0.665 0.204 7.811 1.00 0.00 C ATOM 392 C THR A 26 0.438 0.250 6.752 1.00 0.00 C ATOM 393 O THR A 26 1.538 -0.253 6.975 1.00 0.00 O ATOM 394 CB THR A 26 -0.629 1.389 8.778 1.00 0.00 C ATOM 395 OG1 THR A 26 0.711 1.401 9.264 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.477 1.151 10.029 1.00 0.00 C ATOM 0 H THR A 26 0.366 -1.215 8.957 1.00 0.00 H new ATOM 0 HA THR A 26 -1.604 0.245 7.259 1.00 0.00 H new ATOM 0 HB THR A 26 -0.981 2.285 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.827 0.685 9.923 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.416 2.022 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.515 0.986 9.739 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.105 0.274 10.559 1.00 0.00 H new ATOM 404 N ILE A 27 0.105 0.858 5.623 1.00 0.00 N ATOM 405 CA ILE A 27 1.054 0.976 4.529 1.00 0.00 C ATOM 406 C ILE A 27 1.411 2.450 4.326 1.00 0.00 C ATOM 407 O ILE A 27 0.616 3.215 3.782 1.00 0.00 O ATOM 408 CB ILE A 27 0.509 0.296 3.271 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.279 -1.197 3.511 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.423 0.550 2.070 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.487 -1.828 2.346 1.00 0.00 C ATOM 0 H ILE A 27 -0.809 1.274 5.442 1.00 0.00 H new ATOM 0 HA ILE A 27 1.980 0.454 4.770 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.460 0.737 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.237 -1.701 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.279 -1.339 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.013 0.056 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.492 1.622 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.417 0.153 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.637 -2.890 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.455 -1.338 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.085 -1.706 1.426 1.00 0.00 H new ATOM 423 N THR A 28 2.607 2.803 4.773 1.00 0.00 N ATOM 424 CA THR A 28 3.079 4.171 4.648 1.00 0.00 C ATOM 425 C THR A 28 3.438 4.480 3.193 1.00 0.00 C ATOM 426 O THR A 28 2.890 3.875 2.272 1.00 0.00 O ATOM 427 CB THR A 28 4.249 4.359 5.615 1.00 0.00 C ATOM 428 OG1 THR A 28 4.650 5.711 5.417 1.00 0.00 O ATOM 429 CG2 THR A 28 5.479 3.542 5.212 1.00 0.00 C ATOM 0 H THR A 28 3.264 2.165 5.222 1.00 0.00 H new ATOM 0 HA THR A 28 2.299 4.884 4.917 1.00 0.00 H new ATOM 0 HB THR A 28 3.938 4.075 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.404 5.918 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.280 3.712 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.223 2.483 5.197 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.811 3.849 4.220 1.00 0.00 H new ATOM 437 N THR A 29 4.356 5.421 3.030 1.00 0.00 N ATOM 438 CA THR A 29 4.794 5.818 1.703 1.00 0.00 C ATOM 439 C THR A 29 5.888 4.874 1.198 1.00 0.00 C ATOM 440 O THR A 29 5.781 4.324 0.103 1.00 0.00 O ATOM 441 CB THR A 29 5.237 7.281 1.769 1.00 0.00 C ATOM 442 OG1 THR A 29 5.878 7.393 3.037 1.00 0.00 O ATOM 443 CG2 THR A 29 4.055 8.247 1.862 1.00 0.00 C ATOM 0 H THR A 29 4.809 5.920 3.796 1.00 0.00 H new ATOM 0 HA THR A 29 3.982 5.742 0.979 1.00 0.00 H new ATOM 0 HB THR A 29 5.832 7.520 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.198 8.311 3.162 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.425 9.271 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.418 8.129 0.985 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.478 8.030 2.761 1.00 0.00 H new ATOM 451 N LYS A 30 6.914 4.716 2.021 1.00 0.00 N ATOM 452 CA LYS A 30 8.026 3.848 1.672 1.00 0.00 C ATOM 453 C LYS A 30 7.492 2.457 1.326 1.00 0.00 C ATOM 454 O LYS A 30 7.725 1.954 0.227 1.00 0.00 O ATOM 455 CB LYS A 30 9.073 3.844 2.787 1.00 0.00 C ATOM 456 CG LYS A 30 10.476 3.612 2.222 1.00 0.00 C ATOM 457 CD LYS A 30 11.549 4.008 3.237 1.00 0.00 C ATOM 458 CE LYS A 30 12.887 3.342 2.909 1.00 0.00 C ATOM 459 NZ LYS A 30 13.793 3.394 4.078 1.00 0.00 N ATOM 0 H LYS A 30 6.999 5.174 2.928 1.00 0.00 H new ATOM 0 HA LYS A 30 8.538 4.223 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.045 4.794 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.835 3.065 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.595 2.562 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.604 4.191 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.669 5.091 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.231 3.719 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.722 2.305 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.351 3.843 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.696 2.938 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.965 4.386 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.355 2.895 4.879 1.00 0.00 H new ATOM 473 N GLU A 31 6.786 1.873 2.283 1.00 0.00 N ATOM 474 CA GLU A 31 6.218 0.549 2.093 1.00 0.00 C ATOM 475 C GLU A 31 5.404 0.502 0.798 1.00 0.00 C ATOM 476 O GLU A 31 5.173 -0.572 0.245 1.00 0.00 O ATOM 477 CB GLU A 31 5.361 0.143 3.293 1.00 0.00 C ATOM 478 CG GLU A 31 6.214 0.009 4.556 1.00 0.00 C ATOM 479 CD GLU A 31 5.397 -0.575 5.711 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.620 0.202 6.306 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.568 -1.786 5.971 1.00 0.00 O ATOM 0 H GLU A 31 6.594 2.293 3.193 1.00 0.00 H new ATOM 0 HA GLU A 31 7.035 -0.168 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.580 0.886 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.862 -0.804 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.072 -0.631 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.605 0.986 4.840 1.00 0.00 H new ATOM 488 N LEU A 32 4.993 1.680 0.351 1.00 0.00 N ATOM 489 CA LEU A 32 4.211 1.787 -0.868 1.00 0.00 C ATOM 490 C LEU A 32 5.156 1.892 -2.067 1.00 0.00 C ATOM 491 O LEU A 32 4.811 1.473 -3.172 1.00 0.00 O ATOM 492 CB LEU A 32 3.216 2.944 -0.767 1.00 0.00 C ATOM 493 CG LEU A 32 1.973 2.840 -1.654 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.809 2.201 -0.895 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.599 4.205 -2.235 1.00 0.00 C ATOM 0 H LEU A 32 5.187 2.569 0.812 1.00 0.00 H new ATOM 0 HA LEU A 32 3.608 0.891 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.892 3.029 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.738 3.868 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 32 2.206 2.186 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.061 2.139 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.092 1.199 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.566 2.809 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.713 4.103 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.391 4.902 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.426 4.584 -2.835 1.00 0.00 H new ATOM 507 N GLY A 33 6.328 2.452 -1.809 1.00 0.00 N ATOM 508 CA GLY A 33 7.325 2.617 -2.854 1.00 0.00 C ATOM 509 C GLY A 33 8.239 1.394 -2.937 1.00 0.00 C ATOM 510 O GLY A 33 9.118 1.328 -3.796 1.00 0.00 O ATOM 0 H GLY A 33 6.610 2.797 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.830 2.771 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.921 3.508 -2.656 1.00 0.00 H new ATOM 514 N THR A 34 8.002 0.455 -2.033 1.00 0.00 N ATOM 515 CA THR A 34 8.794 -0.763 -1.993 1.00 0.00 C ATOM 516 C THR A 34 8.267 -1.775 -3.013 1.00 0.00 C ATOM 517 O THR A 34 8.947 -2.092 -3.987 1.00 0.00 O ATOM 518 CB THR A 34 8.784 -1.287 -0.556 1.00 0.00 C ATOM 519 OG1 THR A 34 10.050 -0.894 -0.034 1.00 0.00 O ATOM 520 CG2 THR A 34 8.811 -2.816 -0.490 1.00 0.00 C ATOM 0 H THR A 34 7.273 0.513 -1.322 1.00 0.00 H new ATOM 0 HA THR A 34 9.829 -0.571 -2.277 1.00 0.00 H new ATOM 0 HB THR A 34 7.897 -0.917 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.127 -1.193 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.803 -3.135 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.935 -3.218 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.714 -3.185 -0.975 1.00 0.00 H new ATOM 528 N VAL A 35 7.059 -2.254 -2.753 1.00 0.00 N ATOM 529 CA VAL A 35 6.433 -3.224 -3.635 1.00 0.00 C ATOM 530 C VAL A 35 6.638 -2.791 -5.089 1.00 0.00 C ATOM 531 O VAL A 35 6.674 -3.628 -5.990 1.00 0.00 O ATOM 532 CB VAL A 35 4.958 -3.394 -3.264 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.125 -3.774 -4.490 1.00 0.00 C ATOM 534 CG2 VAL A 35 4.789 -4.423 -2.145 1.00 0.00 C ATOM 0 H VAL A 35 6.497 -1.988 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 35 6.898 -4.203 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 35 4.593 -2.436 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.081 -3.889 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.208 -2.990 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.492 -4.714 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.732 -4.525 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.179 -5.386 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.335 -4.093 -1.262 1.00 0.00 H new ATOM 544 N MET A 36 6.767 -1.485 -5.271 1.00 0.00 N ATOM 545 CA MET A 36 6.967 -0.932 -6.599 1.00 0.00 C ATOM 546 C MET A 36 8.320 -1.357 -7.172 1.00 0.00 C ATOM 547 O MET A 36 8.412 -1.742 -8.337 1.00 0.00 O ATOM 548 CB MET A 36 6.898 0.595 -6.532 1.00 0.00 C ATOM 549 CG MET A 36 5.502 1.063 -6.115 1.00 0.00 C ATOM 550 SD MET A 36 4.755 2.007 -7.433 1.00 0.00 S ATOM 551 CE MET A 36 3.172 1.189 -7.541 1.00 0.00 C ATOM 0 H MET A 36 6.737 -0.794 -4.521 1.00 0.00 H new ATOM 0 HA MET A 36 6.181 -1.312 -7.252 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.637 0.965 -5.821 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.152 1.017 -7.504 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.878 0.202 -5.874 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.568 1.671 -5.213 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.573 1.657 -8.322 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.322 0.136 -7.780 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.653 1.274 -6.586 1.00 0.00 H new ATOM 561 N ARG A 37 9.338 -1.273 -6.327 1.00 0.00 N ATOM 562 CA ARG A 37 10.682 -1.644 -6.735 1.00 0.00 C ATOM 563 C ARG A 37 10.684 -3.050 -7.338 1.00 0.00 C ATOM 564 O ARG A 37 11.565 -3.389 -8.127 1.00 0.00 O ATOM 565 CB ARG A 37 11.648 -1.603 -5.549 1.00 0.00 C ATOM 566 CG ARG A 37 12.138 -0.177 -5.290 1.00 0.00 C ATOM 567 CD ARG A 37 12.241 0.103 -3.790 1.00 0.00 C ATOM 568 NE ARG A 37 11.649 1.423 -3.480 1.00 0.00 N ATOM 569 CZ ARG A 37 12.301 2.587 -3.602 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.572 2.601 -4.029 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.684 3.737 -3.298 1.00 0.00 N ATOM 0 H ARG A 37 9.258 -0.953 -5.362 1.00 0.00 H new ATOM 0 HA ARG A 37 11.013 -0.924 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.152 -1.988 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.500 -2.254 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.112 -0.033 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.454 0.536 -5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.725 -0.677 -3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.285 0.081 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 37 10.683 1.448 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.042 1.726 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.069 3.487 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.717 3.727 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.181 4.623 -3.391 1.00 0.00 H new ATOM 585 N SER A 38 9.688 -3.830 -6.944 1.00 0.00 N ATOM 586 CA SER A 38 9.565 -5.191 -7.436 1.00 0.00 C ATOM 587 C SER A 38 9.093 -5.181 -8.892 1.00 0.00 C ATOM 588 O SER A 38 9.293 -6.152 -9.620 1.00 0.00 O ATOM 589 CB SER A 38 8.599 -6.004 -6.572 1.00 0.00 C ATOM 590 OG SER A 38 8.763 -5.727 -5.183 1.00 0.00 O ATOM 0 H SER A 38 8.959 -3.545 -6.290 1.00 0.00 H new ATOM 0 HA SER A 38 10.546 -5.664 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.574 -5.782 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.759 -7.067 -6.751 1.00 0.00 H new ATOM 0 HG SER A 38 8.128 -6.264 -4.665 1.00 0.00 H new ATOM 596 N LEU A 39 8.476 -4.072 -9.273 1.00 0.00 N ATOM 597 CA LEU A 39 7.975 -3.923 -10.629 1.00 0.00 C ATOM 598 C LEU A 39 8.905 -2.995 -11.412 1.00 0.00 C ATOM 599 O LEU A 39 8.480 -2.343 -12.364 1.00 0.00 O ATOM 600 CB LEU A 39 6.517 -3.461 -10.613 1.00 0.00 C ATOM 601 CG LEU A 39 5.512 -4.388 -11.299 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.709 -5.185 -10.269 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.606 -3.606 -12.252 1.00 0.00 C ATOM 0 H LEU A 39 8.312 -3.268 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 39 7.976 -4.884 -11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.210 -3.329 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.462 -2.482 -11.089 1.00 0.00 H new ATOM 0 HG LEU A 39 6.067 -5.108 -11.901 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.002 -5.836 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.388 -5.790 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.164 -4.498 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.901 -4.289 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.057 -2.849 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.214 -3.123 -13.017 1.00 0.00 H new ATOM 615 N GLY A 40 10.158 -2.965 -10.983 1.00 0.00 N ATOM 616 CA GLY A 40 11.152 -2.128 -11.632 1.00 0.00 C ATOM 617 C GLY A 40 10.763 -0.650 -11.550 1.00 0.00 C ATOM 618 O GLY A 40 11.202 0.157 -12.368 1.00 0.00 O ATOM 0 H GLY A 40 10.508 -3.507 -10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.123 -2.279 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.255 -2.423 -12.676 1.00 0.00 H new ATOM 622 N GLN A 41 9.945 -0.342 -10.555 1.00 0.00 N ATOM 623 CA GLN A 41 9.492 1.024 -10.355 1.00 0.00 C ATOM 624 C GLN A 41 10.215 1.654 -9.163 1.00 0.00 C ATOM 625 O GLN A 41 11.086 1.029 -8.559 1.00 0.00 O ATOM 626 CB GLN A 41 7.975 1.077 -10.166 1.00 0.00 C ATOM 627 CG GLN A 41 7.251 0.998 -11.511 1.00 0.00 C ATOM 628 CD GLN A 41 5.789 0.587 -11.325 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.378 -0.510 -11.665 1.00 0.00 O ATOM 630 NE2 GLN A 41 5.030 1.526 -10.767 1.00 0.00 N ATOM 0 H GLN A 41 9.584 -1.015 -9.879 1.00 0.00 H new ATOM 0 HA GLN A 41 9.734 1.600 -11.248 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.656 0.253 -9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.701 2.000 -9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.299 1.965 -12.011 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.755 0.279 -12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.438 2.424 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.040 1.349 -10.600 1.00 0.00 H new ATOM 639 N ASN A 42 9.828 2.884 -8.859 1.00 0.00 N ATOM 640 CA ASN A 42 10.428 3.606 -7.749 1.00 0.00 C ATOM 641 C ASN A 42 9.961 5.062 -7.781 1.00 0.00 C ATOM 642 O ASN A 42 10.741 5.961 -8.092 1.00 0.00 O ATOM 643 CB ASN A 42 11.955 3.596 -7.848 1.00 0.00 C ATOM 644 CG ASN A 42 12.575 4.570 -6.845 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.917 5.098 -5.964 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.876 4.778 -7.027 1.00 0.00 N ATOM 0 H ASN A 42 9.106 3.400 -9.362 1.00 0.00 H new ATOM 0 HA ASN A 42 10.123 3.117 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.329 2.589 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.259 3.867 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.382 5.412 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.367 4.304 -7.785 1.00 0.00 H new ATOM 653 N PRO A 43 8.657 5.255 -7.447 1.00 0.00 N ATOM 654 CA PRO A 43 8.077 6.587 -7.435 1.00 0.00 C ATOM 655 C PRO A 43 8.544 7.377 -6.210 1.00 0.00 C ATOM 656 O PRO A 43 8.717 6.812 -5.131 1.00 0.00 O ATOM 657 CB PRO A 43 6.574 6.362 -7.458 1.00 0.00 C ATOM 658 CG PRO A 43 6.361 4.924 -7.015 1.00 0.00 C ATOM 659 CD PRO A 43 7.704 4.214 -7.073 1.00 0.00 C ATOM 0 HA PRO A 43 8.389 7.189 -8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.065 7.056 -6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.170 6.527 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.956 4.892 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.639 4.428 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.959 3.770 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.693 3.405 -7.804 1.00 0.00 H new ATOM 667 N THR A 44 8.735 8.672 -6.419 1.00 0.00 N ATOM 668 CA THR A 44 9.179 9.545 -5.345 1.00 0.00 C ATOM 669 C THR A 44 8.146 9.571 -4.217 1.00 0.00 C ATOM 670 O THR A 44 7.022 9.100 -4.389 1.00 0.00 O ATOM 671 CB THR A 44 9.460 10.925 -5.944 1.00 0.00 C ATOM 672 OG1 THR A 44 8.240 11.277 -6.591 1.00 0.00 O ATOM 673 CG2 THR A 44 10.483 10.873 -7.080 1.00 0.00 C ATOM 0 H THR A 44 8.591 9.137 -7.315 1.00 0.00 H new ATOM 0 HA THR A 44 10.099 9.178 -4.891 1.00 0.00 H new ATOM 0 HB THR A 44 9.820 11.594 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.333 12.160 -7.006 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.646 11.878 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.424 10.473 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.109 10.231 -7.878 1.00 0.00 H new ATOM 681 N GLU A 45 8.562 10.127 -3.089 1.00 0.00 N ATOM 682 CA GLU A 45 7.687 10.220 -1.933 1.00 0.00 C ATOM 683 C GLU A 45 6.476 11.099 -2.254 1.00 0.00 C ATOM 684 O GLU A 45 5.436 10.990 -1.606 1.00 0.00 O ATOM 685 CB GLU A 45 8.443 10.753 -0.714 1.00 0.00 C ATOM 686 CG GLU A 45 8.876 9.609 0.205 1.00 0.00 C ATOM 687 CD GLU A 45 9.500 10.148 1.494 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.092 11.247 1.422 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.371 9.449 2.522 1.00 0.00 O ATOM 0 H GLU A 45 9.494 10.518 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 45 7.331 9.219 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.319 11.313 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.808 11.447 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.015 8.986 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.594 8.973 -0.313 1.00 0.00 H new ATOM 696 N ALA A 46 6.651 11.950 -3.254 1.00 0.00 N ATOM 697 CA ALA A 46 5.586 12.847 -3.669 1.00 0.00 C ATOM 698 C ALA A 46 4.496 12.042 -4.381 1.00 0.00 C ATOM 699 O ALA A 46 3.314 12.181 -4.070 1.00 0.00 O ATOM 700 CB ALA A 46 6.165 13.954 -4.553 1.00 0.00 C ATOM 0 H ALA A 46 7.515 12.037 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 46 5.130 13.327 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.366 14.627 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.913 14.514 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.629 13.511 -5.434 1.00 0.00 H new ATOM 706 N GLU A 47 4.933 11.219 -5.323 1.00 0.00 N ATOM 707 CA GLU A 47 4.010 10.393 -6.082 1.00 0.00 C ATOM 708 C GLU A 47 3.168 9.533 -5.137 1.00 0.00 C ATOM 709 O GLU A 47 1.940 9.590 -5.168 1.00 0.00 O ATOM 710 CB GLU A 47 4.757 9.523 -7.094 1.00 0.00 C ATOM 711 CG GLU A 47 3.813 8.520 -7.759 1.00 0.00 C ATOM 712 CD GLU A 47 3.929 8.583 -9.283 1.00 0.00 C ATOM 713 OE1 GLU A 47 5.053 8.860 -9.755 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.892 8.353 -9.942 1.00 0.00 O ATOM 0 H GLU A 47 5.914 11.107 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 47 3.341 11.049 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.215 10.156 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.565 8.990 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.046 7.513 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.786 8.729 -7.460 1.00 0.00 H new ATOM 721 N LEU A 48 3.862 8.755 -4.319 1.00 0.00 N ATOM 722 CA LEU A 48 3.194 7.884 -3.367 1.00 0.00 C ATOM 723 C LEU A 48 2.133 8.684 -2.609 1.00 0.00 C ATOM 724 O LEU A 48 0.956 8.324 -2.616 1.00 0.00 O ATOM 725 CB LEU A 48 4.216 7.202 -2.456 1.00 0.00 C ATOM 726 CG LEU A 48 5.265 6.335 -3.156 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.587 6.344 -2.385 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.742 4.915 -3.381 1.00 0.00 C ATOM 0 H LEU A 48 4.881 8.710 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 48 2.676 7.078 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.733 7.972 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.678 6.580 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 48 5.462 6.764 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.315 5.720 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.964 7.365 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.425 5.953 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.507 4.320 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.498 4.461 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.848 4.951 -4.003 1.00 0.00 H new ATOM 740 N GLN A 49 2.586 9.755 -1.973 1.00 0.00 N ATOM 741 CA GLN A 49 1.689 10.608 -1.212 1.00 0.00 C ATOM 742 C GLN A 49 0.375 10.807 -1.969 1.00 0.00 C ATOM 743 O GLN A 49 -0.695 10.843 -1.363 1.00 0.00 O ATOM 744 CB GLN A 49 2.349 11.953 -0.897 1.00 0.00 C ATOM 745 CG GLN A 49 2.090 12.363 0.554 1.00 0.00 C ATOM 746 CD GLN A 49 3.019 11.613 1.510 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.215 11.500 1.294 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.406 11.110 2.577 1.00 0.00 N ATOM 0 H GLN A 49 3.562 10.051 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 49 1.468 10.117 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.422 11.886 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.962 12.719 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.239 13.437 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.052 12.157 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.402 11.241 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.940 10.593 3.276 1.00 0.00 H new ATOM 757 N ASP A 50 0.498 10.929 -3.283 1.00 0.00 N ATOM 758 CA ASP A 50 -0.667 11.123 -4.129 1.00 0.00 C ATOM 759 C ASP A 50 -1.426 9.800 -4.255 1.00 0.00 C ATOM 760 O ASP A 50 -2.654 9.776 -4.189 1.00 0.00 O ATOM 761 CB ASP A 50 -0.260 11.570 -5.534 1.00 0.00 C ATOM 762 CG ASP A 50 -0.888 12.884 -6.002 1.00 0.00 C ATOM 763 OD1 ASP A 50 -2.119 13.017 -5.832 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.122 13.726 -6.520 1.00 0.00 O ATOM 0 H ASP A 50 1.387 10.897 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.290 11.892 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.825 11.671 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.528 10.785 -6.241 1.00 0.00 H new ATOM 769 N MET A 51 -0.663 8.732 -4.435 1.00 0.00 N ATOM 770 CA MET A 51 -1.248 7.409 -4.571 1.00 0.00 C ATOM 771 C MET A 51 -1.975 6.997 -3.289 1.00 0.00 C ATOM 772 O MET A 51 -3.072 6.442 -3.345 1.00 0.00 O ATOM 773 CB MET A 51 -0.147 6.393 -4.882 1.00 0.00 C ATOM 774 CG MET A 51 0.633 6.798 -6.135 1.00 0.00 C ATOM 775 SD MET A 51 2.179 5.907 -6.206 1.00 0.00 S ATOM 776 CE MET A 51 2.160 5.388 -7.913 1.00 0.00 C ATOM 0 H MET A 51 0.355 8.756 -4.490 1.00 0.00 H new ATOM 0 HA MET A 51 -1.972 7.434 -5.385 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.534 6.317 -4.034 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.587 5.406 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.041 6.587 -7.026 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.822 7.871 -6.124 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.061 4.814 -8.129 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.283 4.767 -8.095 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.124 6.265 -8.560 1.00 0.00 H new ATOM 786 N ILE A 52 -1.335 7.284 -2.165 1.00 0.00 N ATOM 787 CA ILE A 52 -1.908 6.949 -0.872 1.00 0.00 C ATOM 788 C ILE A 52 -3.255 7.658 -0.717 1.00 0.00 C ATOM 789 O ILE A 52 -4.289 7.008 -0.571 1.00 0.00 O ATOM 790 CB ILE A 52 -0.915 7.262 0.250 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.280 6.309 0.206 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.609 7.251 1.614 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.984 6.249 1.563 1.00 0.00 C ATOM 0 H ILE A 52 -0.426 7.744 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.102 5.878 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.528 8.269 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.056 5.312 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.984 6.638 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.882 7.476 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.399 8.002 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.041 6.267 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.830 5.564 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.340 7.243 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.284 5.897 2.321 1.00 0.00 H new ATOM 805 N ASN A 53 -3.199 8.981 -0.753 1.00 0.00 N ATOM 806 CA ASN A 53 -4.402 9.785 -0.619 1.00 0.00 C ATOM 807 C ASN A 53 -5.535 9.136 -1.416 1.00 0.00 C ATOM 808 O ASN A 53 -6.618 8.900 -0.882 1.00 0.00 O ATOM 809 CB ASN A 53 -4.185 11.197 -1.168 1.00 0.00 C ATOM 810 CG ASN A 53 -3.586 12.114 -0.101 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.829 11.971 1.086 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.790 13.063 -0.587 1.00 0.00 N ATOM 0 H ASN A 53 -2.339 9.517 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.652 9.845 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.522 11.157 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.134 11.607 -1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.341 13.726 0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.628 13.128 -1.592 1.00 0.00 H new ATOM 819 N GLU A 54 -5.248 8.867 -2.681 1.00 0.00 N ATOM 820 CA GLU A 54 -6.230 8.250 -3.556 1.00 0.00 C ATOM 821 C GLU A 54 -6.945 7.109 -2.831 1.00 0.00 C ATOM 822 O GLU A 54 -8.170 7.012 -2.875 1.00 0.00 O ATOM 823 CB GLU A 54 -5.577 7.755 -4.849 1.00 0.00 C ATOM 824 CG GLU A 54 -5.358 8.909 -5.829 1.00 0.00 C ATOM 825 CD GLU A 54 -5.377 8.411 -7.276 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.368 7.792 -7.676 1.00 0.00 O ATOM 827 OE2 GLU A 54 -6.401 8.660 -7.948 1.00 0.00 O ATOM 0 H GLU A 54 -4.349 9.065 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.971 9.002 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.622 7.281 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.207 6.995 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.134 9.662 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.404 9.393 -5.620 1.00 0.00 H new ATOM 834 N VAL A 55 -6.149 6.273 -2.180 1.00 0.00 N ATOM 835 CA VAL A 55 -6.691 5.142 -1.446 1.00 0.00 C ATOM 836 C VAL A 55 -6.646 5.444 0.053 1.00 0.00 C ATOM 837 O VAL A 55 -6.425 4.546 0.864 1.00 0.00 O ATOM 838 CB VAL A 55 -5.938 3.865 -1.822 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.522 3.237 -3.089 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.441 4.139 -1.985 1.00 0.00 C ATOM 0 H VAL A 55 -5.133 6.356 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.735 4.978 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.061 3.151 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.968 2.331 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.570 2.988 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.444 3.944 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.929 3.215 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.290 4.878 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.037 4.520 -1.047 1.00 0.00 H new ATOM 850 N ASP A 56 -6.859 6.711 0.376 1.00 0.00 N ATOM 851 CA ASP A 56 -6.845 7.142 1.764 1.00 0.00 C ATOM 852 C ASP A 56 -7.702 8.401 1.911 1.00 0.00 C ATOM 853 O ASP A 56 -7.207 9.516 1.749 1.00 0.00 O ATOM 854 CB ASP A 56 -5.425 7.481 2.221 1.00 0.00 C ATOM 855 CG ASP A 56 -5.335 8.540 3.322 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.547 8.161 4.494 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.057 9.706 2.966 1.00 0.00 O ATOM 0 H ASP A 56 -7.042 7.453 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.235 6.327 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.946 6.568 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.855 7.826 1.359 1.00 0.00 H new ATOM 862 N ALA A 57 -8.972 8.181 2.216 1.00 0.00 N ATOM 863 CA ALA A 57 -9.903 9.284 2.386 1.00 0.00 C ATOM 864 C ALA A 57 -9.888 9.737 3.847 1.00 0.00 C ATOM 865 O ALA A 57 -10.577 10.688 4.214 1.00 0.00 O ATOM 866 CB ALA A 57 -11.296 8.853 1.923 1.00 0.00 C ATOM 0 H ALA A 57 -9.379 7.255 2.350 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.606 10.135 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.994 9.680 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.258 8.569 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.630 8.002 2.517 1.00 0.00 H new ATOM 872 N ASP A 58 -9.093 9.036 4.643 1.00 0.00 N ATOM 873 CA ASP A 58 -8.980 9.354 6.056 1.00 0.00 C ATOM 874 C ASP A 58 -7.896 10.417 6.249 1.00 0.00 C ATOM 875 O ASP A 58 -7.943 11.189 7.206 1.00 0.00 O ATOM 876 CB ASP A 58 -8.581 8.120 6.868 1.00 0.00 C ATOM 877 CG ASP A 58 -7.244 7.490 6.473 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.207 8.107 6.801 1.00 0.00 O ATOM 879 OD2 ASP A 58 -7.289 6.406 5.852 1.00 0.00 O ATOM 0 H ASP A 58 -8.521 8.249 4.336 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.950 9.714 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.538 8.395 7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.364 7.368 6.766 1.00 0.00 H new ATOM 884 N GLY A 59 -6.946 10.423 5.326 1.00 0.00 N ATOM 885 CA GLY A 59 -5.853 11.378 5.383 1.00 0.00 C ATOM 886 C GLY A 59 -5.243 11.431 6.785 1.00 0.00 C ATOM 887 O GLY A 59 -4.903 12.505 7.278 1.00 0.00 O ATOM 0 H GLY A 59 -6.911 9.781 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.086 11.102 4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.215 12.367 5.102 1.00 0.00 H new ATOM 891 N ASN A 60 -5.123 10.257 7.388 1.00 0.00 N ATOM 892 CA ASN A 60 -4.560 10.156 8.723 1.00 0.00 C ATOM 893 C ASN A 60 -3.110 9.680 8.626 1.00 0.00 C ATOM 894 O ASN A 60 -2.395 9.647 9.627 1.00 0.00 O ATOM 895 CB ASN A 60 -5.334 9.145 9.572 1.00 0.00 C ATOM 896 CG ASN A 60 -4.967 7.710 9.186 1.00 0.00 C ATOM 897 OD1 ASN A 60 -4.344 7.454 8.169 1.00 0.00 O ATOM 898 ND2 ASN A 60 -5.387 6.793 10.052 1.00 0.00 N ATOM 0 H ASN A 60 -5.406 9.368 6.976 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.620 11.139 9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.116 9.309 10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.405 9.298 9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.192 5.806 9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.904 7.076 10.884 1.00 0.00 H new ATOM 905 N GLY A 61 -2.718 9.323 7.412 1.00 0.00 N ATOM 906 CA GLY A 61 -1.365 8.851 7.171 1.00 0.00 C ATOM 907 C GLY A 61 -1.346 7.338 6.941 1.00 0.00 C ATOM 908 O GLY A 61 -2.088 6.599 7.585 1.00 0.00 O ATOM 0 H GLY A 61 -3.314 9.351 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.948 9.360 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.731 9.101 8.022 1.00 0.00 H new ATOM 912 N THR A 62 -0.488 6.923 6.019 1.00 0.00 N ATOM 913 CA THR A 62 -0.363 5.512 5.696 1.00 0.00 C ATOM 914 C THR A 62 -1.685 4.970 5.149 1.00 0.00 C ATOM 915 O THR A 62 -2.687 5.682 5.121 1.00 0.00 O ATOM 916 CB THR A 62 0.121 4.781 6.950 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.080 4.397 7.614 1.00 0.00 O ATOM 918 CG2 THR A 62 0.813 5.717 7.944 1.00 0.00 C ATOM 0 H THR A 62 0.126 7.539 5.486 1.00 0.00 H new ATOM 0 HA THR A 62 0.370 5.351 4.905 1.00 0.00 H new ATOM 0 HB THR A 62 0.808 3.985 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.536 5.195 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.137 5.148 8.815 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.679 6.176 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.116 6.495 8.257 1.00 0.00 H new ATOM 926 N ILE A 63 -1.644 3.714 4.728 1.00 0.00 N ATOM 927 CA ILE A 63 -2.826 3.069 4.183 1.00 0.00 C ATOM 928 C ILE A 63 -3.150 1.824 5.012 1.00 0.00 C ATOM 929 O ILE A 63 -2.252 1.068 5.379 1.00 0.00 O ATOM 930 CB ILE A 63 -2.642 2.784 2.692 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.402 4.078 1.911 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.825 1.990 2.135 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.640 4.467 1.100 1.00 0.00 C ATOM 0 H ILE A 63 -0.811 3.126 4.753 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.688 3.732 4.252 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.753 2.165 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.148 4.882 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.550 3.951 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.669 1.801 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.908 1.041 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.743 2.562 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.442 5.390 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.877 3.672 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.484 4.617 1.774 1.00 0.00 H new ATOM 945 N ASP A 64 -4.435 1.650 5.282 1.00 0.00 N ATOM 946 CA ASP A 64 -4.888 0.509 6.060 1.00 0.00 C ATOM 947 C ASP A 64 -5.428 -0.566 5.115 1.00 0.00 C ATOM 948 O ASP A 64 -5.306 -0.445 3.897 1.00 0.00 O ATOM 949 CB ASP A 64 -6.014 0.908 7.017 1.00 0.00 C ATOM 950 CG ASP A 64 -5.652 2.004 8.020 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.639 2.691 7.770 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.398 2.130 9.016 1.00 0.00 O ATOM 0 H ASP A 64 -5.177 2.280 4.976 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.041 0.135 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.869 1.242 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.333 0.023 7.568 1.00 0.00 H new ATOM 957 N PHE A 65 -6.015 -1.593 5.712 1.00 0.00 N ATOM 958 CA PHE A 65 -6.575 -2.688 4.939 1.00 0.00 C ATOM 959 C PHE A 65 -7.835 -2.245 4.194 1.00 0.00 C ATOM 960 O PHE A 65 -8.009 -2.560 3.017 1.00 0.00 O ATOM 961 CB PHE A 65 -6.944 -3.793 5.931 1.00 0.00 C ATOM 962 CG PHE A 65 -7.467 -5.071 5.272 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.747 -5.671 4.286 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.650 -5.608 5.672 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.232 -6.857 3.674 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.135 -6.794 5.061 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.416 -7.394 4.075 1.00 0.00 C ATOM 0 H PHE A 65 -6.115 -1.690 6.722 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.851 -3.030 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.067 -4.038 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.702 -3.414 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.807 -5.245 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.221 -5.132 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.661 -7.333 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.075 -7.220 5.379 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.785 -8.297 3.610 1.00 0.00 H new ATOM 977 N PRO A 66 -8.706 -1.502 4.928 1.00 0.00 N ATOM 978 CA PRO A 66 -9.946 -1.012 4.349 1.00 0.00 C ATOM 979 C PRO A 66 -9.684 0.163 3.406 1.00 0.00 C ATOM 980 O PRO A 66 -10.554 0.543 2.625 1.00 0.00 O ATOM 981 CB PRO A 66 -10.814 -0.637 5.539 1.00 0.00 C ATOM 982 CG PRO A 66 -9.866 -0.492 6.718 1.00 0.00 C ATOM 983 CD PRO A 66 -8.534 -1.109 6.324 1.00 0.00 C ATOM 0 HA PRO A 66 -10.444 -1.757 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.351 0.293 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.564 -1.404 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.738 0.559 6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.272 -0.991 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.718 -0.395 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.295 -1.968 6.951 1.00 0.00 H new ATOM 991 N GLU A 67 -8.480 0.708 3.510 1.00 0.00 N ATOM 992 CA GLU A 67 -8.093 1.832 2.676 1.00 0.00 C ATOM 993 C GLU A 67 -7.332 1.341 1.443 1.00 0.00 C ATOM 994 O GLU A 67 -7.279 2.032 0.426 1.00 0.00 O ATOM 995 CB GLU A 67 -7.259 2.841 3.469 1.00 0.00 C ATOM 996 CG GLU A 67 -7.854 3.072 4.859 1.00 0.00 C ATOM 997 CD GLU A 67 -6.823 3.699 5.800 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.665 3.849 5.354 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.216 4.015 6.944 1.00 0.00 O ATOM 0 H GLU A 67 -7.760 0.391 4.160 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.998 2.340 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.236 2.478 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.213 3.786 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.725 3.723 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.200 2.125 5.272 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.762 0.153 1.573 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.007 -0.439 0.481 1.00 0.00 C ATOM 1008 C PHE A 68 -6.889 -1.368 -0.355 1.00 0.00 C ATOM 1009 O PHE A 68 -6.692 -1.496 -1.563 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.877 -1.257 1.110 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.472 -2.487 0.297 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.169 -3.648 0.427 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.415 -2.420 -0.557 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.793 -4.790 -0.328 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.039 -3.563 -1.312 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.736 -4.723 -1.182 1.00 0.00 C ATOM 0 H PHE A 68 -6.807 -0.417 2.418 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.626 0.344 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.005 -0.615 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.185 -1.577 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.008 -3.701 1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.862 -1.498 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.346 -5.712 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.199 -3.511 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.451 -5.592 -1.757 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.842 -1.994 0.320 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.754 -2.908 -0.345 1.00 0.00 C ATOM 1028 C LEU A 69 -9.246 -2.272 -1.647 1.00 0.00 C ATOM 1029 O LEU A 69 -9.447 -2.965 -2.643 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.882 -3.323 0.601 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.561 -4.465 1.567 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.430 -4.381 2.824 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.688 -5.822 0.873 1.00 0.00 C ATOM 0 H LEU A 69 -8.002 -1.886 1.322 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.240 -3.831 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.178 -2.452 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.745 -3.613 0.001 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.524 -4.361 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.182 -5.204 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.247 -3.433 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.482 -4.445 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.455 -6.616 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.707 -5.950 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.993 -5.868 0.034 1.00 0.00 H new ATOM 1045 N THR A 70 -9.427 -0.960 -1.596 1.00 0.00 N ATOM 1046 CA THR A 70 -9.892 -0.224 -2.759 1.00 0.00 C ATOM 1047 C THR A 70 -8.886 -0.346 -3.905 1.00 0.00 C ATOM 1048 O THR A 70 -9.274 -0.471 -5.066 1.00 0.00 O ATOM 1049 CB THR A 70 -10.151 1.222 -2.330 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.051 1.967 -3.541 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.029 1.783 -1.454 1.00 0.00 C ATOM 0 H THR A 70 -9.260 -0.388 -0.768 1.00 0.00 H new ATOM 0 HA THR A 70 -10.825 -0.638 -3.142 1.00 0.00 H new ATOM 0 HB THR A 70 -11.096 1.276 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.207 2.916 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.263 2.811 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.934 1.178 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.090 1.760 -2.007 1.00 0.00 H new ATOM 1059 N MET A 71 -7.613 -0.307 -3.540 1.00 0.00 N ATOM 1060 CA MET A 71 -6.549 -0.412 -4.523 1.00 0.00 C ATOM 1061 C MET A 71 -6.691 -1.691 -5.351 1.00 0.00 C ATOM 1062 O MET A 71 -6.797 -1.634 -6.575 1.00 0.00 O ATOM 1063 CB MET A 71 -5.194 -0.412 -3.811 1.00 0.00 C ATOM 1064 CG MET A 71 -4.291 0.698 -4.352 1.00 0.00 C ATOM 1065 SD MET A 71 -2.784 -0.004 -5.004 1.00 0.00 S ATOM 1066 CE MET A 71 -1.788 1.471 -5.138 1.00 0.00 C ATOM 0 H MET A 71 -7.295 -0.204 -2.576 1.00 0.00 H new ATOM 0 HA MET A 71 -6.616 0.443 -5.196 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.342 -0.276 -2.740 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.709 -1.379 -3.945 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.811 1.253 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.058 1.408 -3.558 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.806 1.212 -5.533 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.274 2.178 -5.810 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.675 1.925 -4.153 1.00 0.00 H new ATOM 1076 N MET A 72 -6.688 -2.815 -4.649 1.00 0.00 N ATOM 1077 CA MET A 72 -6.816 -4.106 -5.303 1.00 0.00 C ATOM 1078 C MET A 72 -8.006 -4.118 -6.265 1.00 0.00 C ATOM 1079 O MET A 72 -7.915 -4.664 -7.363 1.00 0.00 O ATOM 1080 CB MET A 72 -7.000 -5.198 -4.248 1.00 0.00 C ATOM 1081 CG MET A 72 -5.739 -5.357 -3.397 1.00 0.00 C ATOM 1082 SD MET A 72 -5.006 -6.959 -3.685 1.00 0.00 S ATOM 1083 CE MET A 72 -3.740 -6.514 -4.861 1.00 0.00 C ATOM 0 H MET A 72 -6.599 -2.858 -3.634 1.00 0.00 H new ATOM 0 HA MET A 72 -5.908 -4.293 -5.876 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.846 -4.951 -3.607 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.235 -6.144 -4.736 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.024 -4.572 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.986 -5.246 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.182 -7.405 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.203 -6.074 -5.744 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.061 -5.791 -4.409 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.094 -3.510 -5.816 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.301 -3.445 -6.623 1.00 0.00 C ATOM 1095 C ALA A 73 -9.944 -2.959 -8.029 1.00 0.00 C ATOM 1096 O ALA A 73 -10.268 -3.615 -9.017 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.326 -2.539 -5.936 1.00 0.00 C ATOM 0 H ALA A 73 -9.165 -3.058 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.751 -4.433 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.231 -2.490 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.568 -2.943 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.910 -1.538 -5.824 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.281 -1.812 -8.073 1.00 0.00 N ATOM 1104 CA ARG A 74 -8.876 -1.231 -9.342 1.00 0.00 C ATOM 1105 C ARG A 74 -7.356 -1.307 -9.500 1.00 0.00 C ATOM 1106 O ARG A 74 -6.669 -0.289 -9.429 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.320 0.229 -9.445 1.00 0.00 C ATOM 1108 CG ARG A 74 -10.646 0.452 -8.715 1.00 0.00 C ATOM 1109 CD ARG A 74 -10.976 1.943 -8.620 1.00 0.00 C ATOM 1110 NE ARG A 74 -10.018 2.617 -7.715 1.00 0.00 N ATOM 1111 CZ ARG A 74 -10.018 3.934 -7.467 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -10.924 4.726 -8.054 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -9.111 4.458 -6.631 1.00 0.00 N ATOM 0 H ARG A 74 -9.015 -1.270 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.356 -1.802 -10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.553 0.877 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.427 0.507 -10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.447 -0.068 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.591 0.024 -7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.934 2.397 -9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.993 2.076 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.314 2.043 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.614 4.327 -8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.924 5.728 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.421 3.854 -6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.111 5.460 -6.442 1.00 0.00 H new ATOM 1127 N LYS A 75 -6.875 -2.523 -9.710 1.00 0.00 N ATOM 1128 CA LYS A 75 -5.449 -2.745 -9.879 1.00 0.00 C ATOM 1129 C LYS A 75 -4.862 -1.631 -10.747 1.00 0.00 C ATOM 1130 O LYS A 75 -4.910 -1.704 -11.974 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.186 -4.151 -10.422 1.00 0.00 C ATOM 1132 CG LYS A 75 -4.276 -4.942 -9.480 1.00 0.00 C ATOM 1133 CD LYS A 75 -3.615 -6.113 -10.210 1.00 0.00 C ATOM 1134 CE LYS A 75 -2.629 -6.842 -9.296 1.00 0.00 C ATOM 1135 NZ LYS A 75 -1.292 -6.210 -9.366 1.00 0.00 N ATOM 1136 OXT LYS A 75 -4.322 -0.623 -10.076 1.00 0.00 O ATOM 0 H LYS A 75 -7.447 -3.365 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.940 -2.700 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.131 -4.679 -10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.725 -4.084 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.509 -4.284 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.857 -5.316 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.379 -6.809 -10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.094 -5.747 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.994 -6.822 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.558 -7.889 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.635 -6.717 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.939 -6.251 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.361 -5.217 -9.064 1.00 0.00 H new