USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.803 X(o=-0.8,f=-0.62) USER MOD Single : A 20 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-7.7!) USER MOD Single : A 24 CYS SG : rot 37:sc= 0.135 USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= -0.0884 (180deg=-0.639) USER MOD Single : A 33 SER OG : rot 180:sc= -1.28! USER MOD Single : A 35 SER OG : rot -140:sc= -1.6! USER MOD Single : A 38 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 40 LYS NZ :NH3+ -127:sc= -0.978 (180deg=-1.11) USER MOD Single : A 47 GLN : amide:sc= -0.657 X(o=-0.66,f=-0.52) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.136 (180deg=-0.549) USER MOD Single : A 56 THR OG1 : rot 39:sc= 0.684 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 150:sc= -0.722 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0246 F(o=-2.8!,f=-0.025) USER MOD Single : A 67 THR OG1 : rot 88:sc= -0.826 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-1.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -7.327 -1.767 7.297 1.00 0.00 N ATOM 158 CA ALA A 11 -7.551 -0.524 6.575 1.00 0.00 C ATOM 159 C ALA A 11 -7.844 -0.791 5.104 1.00 0.00 C ATOM 160 O ALA A 11 -7.265 -1.693 4.500 1.00 0.00 O ATOM 161 CB ALA A 11 -6.345 0.392 6.719 1.00 0.00 C ATOM 0 HA ALA A 11 -8.422 -0.031 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.525 1.319 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.182 0.616 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.462 -0.102 6.313 1.00 0.00 H new ATOM 167 N THR A 12 -8.744 -0.001 4.533 1.00 0.00 N ATOM 168 CA THR A 12 -9.104 -0.149 3.130 1.00 0.00 C ATOM 169 C THR A 12 -8.927 1.175 2.401 1.00 0.00 C ATOM 170 O THR A 12 -9.389 2.217 2.864 1.00 0.00 O ATOM 171 CB THR A 12 -10.542 -0.648 2.984 1.00 0.00 C ATOM 172 OG1 THR A 12 -11.159 -0.791 4.252 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.636 -1.982 2.273 1.00 0.00 C ATOM 0 H THR A 12 -9.237 0.748 5.019 1.00 0.00 H new ATOM 0 HA THR A 12 -8.441 -0.890 2.683 1.00 0.00 H new ATOM 0 HB THR A 12 -11.052 0.106 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.078 -1.109 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.681 -2.283 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.214 -1.891 1.272 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.080 -2.733 2.834 1.00 0.00 H new ATOM 181 N PHE A 13 -8.241 1.129 1.267 1.00 0.00 N ATOM 182 CA PHE A 13 -7.988 2.328 0.482 1.00 0.00 C ATOM 183 C PHE A 13 -8.842 2.348 -0.780 1.00 0.00 C ATOM 184 O PHE A 13 -8.486 1.745 -1.791 1.00 0.00 O ATOM 185 CB PHE A 13 -6.508 2.400 0.113 1.00 0.00 C ATOM 186 CG PHE A 13 -6.144 3.614 -0.689 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.653 4.861 -0.359 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.293 3.506 -1.775 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.320 5.976 -1.101 1.00 0.00 C ATOM 190 CE2 PHE A 13 -4.955 4.618 -2.520 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.471 5.853 -2.182 1.00 0.00 C ATOM 0 H PHE A 13 -7.850 0.274 0.871 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.255 3.196 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.914 2.388 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.240 1.508 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.317 4.961 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.889 2.541 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.723 6.942 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.289 4.522 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.210 6.724 -2.764 1.00 0.00 H new ATOM 201 N SER A 14 -9.971 3.041 -0.717 1.00 0.00 N ATOM 202 CA SER A 14 -10.870 3.132 -1.859 1.00 0.00 C ATOM 203 C SER A 14 -10.270 3.998 -2.962 1.00 0.00 C ATOM 204 O SER A 14 -10.148 5.214 -2.816 1.00 0.00 O ATOM 205 CB SER A 14 -12.221 3.703 -1.429 1.00 0.00 C ATOM 206 OG SER A 14 -13.211 3.467 -2.414 1.00 0.00 O ATOM 0 H SER A 14 -10.285 3.547 0.111 1.00 0.00 H new ATOM 0 HA SER A 14 -11.015 2.125 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.527 3.251 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.127 4.775 -1.253 1.00 0.00 H new ATOM 0 HG SER A 14 -14.066 3.840 -2.114 1.00 0.00 H new ATOM 212 N LEU A 15 -9.902 3.362 -4.069 1.00 0.00 N ATOM 213 CA LEU A 15 -9.321 4.069 -5.205 1.00 0.00 C ATOM 214 C LEU A 15 -10.417 4.667 -6.081 1.00 0.00 C ATOM 215 O LEU A 15 -10.228 5.709 -6.709 1.00 0.00 O ATOM 216 CB LEU A 15 -8.462 3.120 -6.043 1.00 0.00 C ATOM 217 CG LEU A 15 -7.007 2.980 -5.595 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.272 1.994 -6.491 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.311 4.334 -5.604 1.00 0.00 C ATOM 0 H LEU A 15 -9.996 2.355 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.695 4.873 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.924 2.133 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.474 3.465 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.994 2.597 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.237 1.904 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.757 1.020 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.295 2.351 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.277 4.214 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.332 4.747 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.826 5.012 -4.924 1.00 0.00 H new ATOM 231 N GLY A 16 -11.560 3.991 -6.124 1.00 0.00 N ATOM 232 CA GLY A 16 -12.670 4.456 -6.933 1.00 0.00 C ATOM 233 C GLY A 16 -12.821 3.645 -8.206 1.00 0.00 C ATOM 234 O GLY A 16 -13.541 2.648 -8.233 1.00 0.00 O ATOM 0 H GLY A 16 -11.737 3.127 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.591 4.397 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.520 5.505 -7.187 1.00 0.00 H new ATOM 238 N LYS A 17 -12.129 4.068 -9.260 1.00 0.00 N ATOM 239 CA LYS A 17 -12.180 3.367 -10.539 1.00 0.00 C ATOM 240 C LYS A 17 -11.188 3.969 -11.529 1.00 0.00 C ATOM 241 O LYS A 17 -11.575 4.636 -12.488 1.00 0.00 O ATOM 242 CB LYS A 17 -13.595 3.412 -11.118 1.00 0.00 C ATOM 243 CG LYS A 17 -14.249 4.781 -11.028 1.00 0.00 C ATOM 244 CD LYS A 17 -14.599 5.325 -12.406 1.00 0.00 C ATOM 245 CE LYS A 17 -16.058 5.068 -12.756 1.00 0.00 C ATOM 246 NZ LYS A 17 -16.881 6.307 -12.667 1.00 0.00 N ATOM 0 H LYS A 17 -11.527 4.892 -9.254 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.904 2.327 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.560 3.104 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.216 2.687 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -15.153 4.714 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.576 5.474 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.400 6.396 -12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.957 4.861 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.122 4.662 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.465 4.314 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.867 6.087 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.841 6.681 -11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.510 7.019 -13.328 1.00 0.00 H new ATOM 260 N HIS A 18 -9.904 3.726 -11.287 1.00 0.00 N ATOM 261 CA HIS A 18 -8.845 4.238 -12.151 1.00 0.00 C ATOM 262 C HIS A 18 -8.073 3.084 -12.787 1.00 0.00 C ATOM 263 O HIS A 18 -8.284 1.922 -12.433 1.00 0.00 O ATOM 264 CB HIS A 18 -7.899 5.126 -11.342 1.00 0.00 C ATOM 265 CG HIS A 18 -8.115 6.589 -11.568 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.279 7.562 -11.062 1.00 0.00 N ATOM 267 CD2 HIS A 18 -9.082 7.247 -12.252 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.721 8.754 -11.422 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.814 8.591 -12.145 1.00 0.00 N ATOM 0 H HIS A 18 -9.570 3.175 -10.496 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.295 4.832 -12.947 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.026 4.908 -10.282 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.870 4.875 -11.598 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.909 6.799 -12.782 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.266 9.700 -11.168 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.369 9.341 -12.557 1.00 0.00 H new ATOM 277 N PRO A 19 -7.165 3.376 -13.737 1.00 0.00 N ATOM 278 CA PRO A 19 -6.376 2.338 -14.403 1.00 0.00 C ATOM 279 C PRO A 19 -5.406 1.662 -13.443 1.00 0.00 C ATOM 280 O PRO A 19 -5.253 0.442 -13.465 1.00 0.00 O ATOM 281 CB PRO A 19 -5.621 3.096 -15.497 1.00 0.00 C ATOM 282 CG PRO A 19 -5.574 4.507 -15.024 1.00 0.00 C ATOM 283 CD PRO A 19 -6.835 4.726 -14.232 1.00 0.00 C ATOM 0 HA PRO A 19 -7.001 1.535 -14.794 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.618 2.693 -15.637 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.132 3.018 -16.456 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.692 4.682 -14.408 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.518 5.198 -15.865 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.678 5.428 -13.413 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.634 5.133 -14.852 1.00 0.00 H new ATOM 291 N HIS A 20 -4.768 2.465 -12.589 1.00 0.00 N ATOM 292 CA HIS A 20 -3.821 1.954 -11.597 1.00 0.00 C ATOM 293 C HIS A 20 -3.074 3.094 -10.915 1.00 0.00 C ATOM 294 O HIS A 20 -3.313 4.267 -11.200 1.00 0.00 O ATOM 295 CB HIS A 20 -2.834 0.965 -12.228 1.00 0.00 C ATOM 296 CG HIS A 20 -1.700 1.623 -12.931 1.00 0.00 C ATOM 297 ND1 HIS A 20 -0.685 2.259 -12.259 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.422 1.753 -14.248 1.00 0.00 C ATOM 299 CE1 HIS A 20 0.169 2.755 -13.124 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.251 2.463 -14.342 1.00 0.00 N ATOM 0 H HIS A 20 -4.891 3.477 -12.565 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.395 1.421 -10.840 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.439 0.312 -11.450 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.370 0.331 -12.934 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.010 1.371 -15.070 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.064 3.308 -12.881 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.218 2.723 -15.210 1.00 0.00 H new ATOM 308 N VAL A 21 -2.160 2.732 -10.019 1.00 0.00 N ATOM 309 CA VAL A 21 -1.365 3.719 -9.292 1.00 0.00 C ATOM 310 C VAL A 21 0.017 3.181 -8.946 1.00 0.00 C ATOM 311 O VAL A 21 0.281 1.985 -9.069 1.00 0.00 O ATOM 312 CB VAL A 21 -2.040 4.147 -7.978 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.251 5.031 -8.238 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.427 2.926 -7.160 1.00 0.00 C ATOM 0 H VAL A 21 -1.951 1.763 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.279 4.577 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.322 4.735 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.704 5.315 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.939 5.927 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.978 4.484 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.904 3.245 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.121 2.310 -7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.534 2.346 -6.928 1.00 0.00 H new ATOM 324 N GLU A 22 0.883 4.075 -8.486 1.00 0.00 N ATOM 325 CA GLU A 22 2.233 3.706 -8.088 1.00 0.00 C ATOM 326 C GLU A 22 2.297 3.515 -6.576 1.00 0.00 C ATOM 327 O GLU A 22 1.585 4.187 -5.831 1.00 0.00 O ATOM 328 CB GLU A 22 3.234 4.778 -8.524 1.00 0.00 C ATOM 329 CG GLU A 22 2.967 6.144 -7.911 1.00 0.00 C ATOM 330 CD GLU A 22 3.214 7.282 -8.883 1.00 0.00 C ATOM 331 OE1 GLU A 22 3.268 7.022 -10.103 1.00 0.00 O ATOM 332 OE2 GLU A 22 3.349 8.436 -8.423 1.00 0.00 O ATOM 0 H GLU A 22 0.671 5.067 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 22 2.495 2.768 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.239 4.457 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.210 4.865 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.935 6.186 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.603 6.275 -7.036 1.00 0.00 H new ATOM 339 N LEU A 23 3.143 2.589 -6.127 1.00 0.00 N ATOM 340 CA LEU A 23 3.286 2.307 -4.699 1.00 0.00 C ATOM 341 C LEU A 23 3.318 3.593 -3.876 1.00 0.00 C ATOM 342 O LEU A 23 2.825 3.628 -2.749 1.00 0.00 O ATOM 343 CB LEU A 23 4.554 1.495 -4.437 1.00 0.00 C ATOM 344 CG LEU A 23 5.847 2.126 -4.950 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.395 3.123 -3.942 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.881 1.052 -5.244 1.00 0.00 C ATOM 0 H LEU A 23 3.739 2.022 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 23 2.417 1.726 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.648 1.334 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.440 0.514 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 23 5.624 2.658 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.316 3.561 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.661 3.911 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.601 2.613 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.796 1.518 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.096 0.495 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.493 0.372 -6.002 1.00 0.00 H new ATOM 358 N CYS A 24 3.897 4.646 -4.444 1.00 0.00 N ATOM 359 CA CYS A 24 3.985 5.926 -3.755 1.00 0.00 C ATOM 360 C CYS A 24 2.599 6.519 -3.550 1.00 0.00 C ATOM 361 O CYS A 24 2.279 7.014 -2.473 1.00 0.00 O ATOM 362 CB CYS A 24 4.860 6.900 -4.545 1.00 0.00 C ATOM 363 SG CYS A 24 5.991 7.872 -3.521 1.00 0.00 S ATOM 0 H CYS A 24 4.311 4.637 -5.376 1.00 0.00 H new ATOM 0 HA CYS A 24 4.441 5.757 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.441 6.339 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.216 7.580 -5.103 1.00 0.00 H new ATOM 0 HG CYS A 24 6.439 7.134 -2.549 1.00 0.00 H new ATOM 369 N ASP A 25 1.772 6.449 -4.586 1.00 0.00 N ATOM 370 CA ASP A 25 0.415 6.969 -4.506 1.00 0.00 C ATOM 371 C ASP A 25 -0.372 6.222 -3.438 1.00 0.00 C ATOM 372 O ASP A 25 -0.844 6.815 -2.472 1.00 0.00 O ATOM 373 CB ASP A 25 -0.288 6.846 -5.858 1.00 0.00 C ATOM 374 CG ASP A 25 -0.158 8.105 -6.694 1.00 0.00 C ATOM 375 OD1 ASP A 25 0.986 8.561 -6.904 1.00 0.00 O ATOM 376 OD2 ASP A 25 -1.199 8.635 -7.137 1.00 0.00 O ATOM 0 H ASP A 25 2.017 6.039 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 25 0.465 8.024 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.132 6.003 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.344 6.627 -5.697 1.00 0.00 H new ATOM 381 N LEU A 26 -0.502 4.912 -3.618 1.00 0.00 N ATOM 382 CA LEU A 26 -1.230 4.074 -2.671 1.00 0.00 C ATOM 383 C LEU A 26 -0.765 4.319 -1.239 1.00 0.00 C ATOM 384 O LEU A 26 -1.581 4.488 -0.335 1.00 0.00 O ATOM 385 CB LEU A 26 -1.049 2.597 -3.025 1.00 0.00 C ATOM 386 CG LEU A 26 -2.266 1.709 -2.753 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.244 1.774 -3.915 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.830 0.273 -2.501 1.00 0.00 C ATOM 0 H LEU A 26 -0.112 4.406 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.285 4.338 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.793 2.522 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.201 2.206 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.770 2.078 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.103 1.137 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.580 2.802 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.752 1.430 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.707 -0.345 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.303 -0.106 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.167 0.240 -1.636 1.00 0.00 H new ATOM 400 N LEU A 27 0.548 4.324 -1.037 1.00 0.00 N ATOM 401 CA LEU A 27 1.119 4.533 0.289 1.00 0.00 C ATOM 402 C LEU A 27 0.869 5.950 0.793 1.00 0.00 C ATOM 403 O LEU A 27 0.212 6.145 1.815 1.00 0.00 O ATOM 404 CB LEU A 27 2.621 4.243 0.271 1.00 0.00 C ATOM 405 CG LEU A 27 2.999 2.805 0.619 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.320 1.825 -0.328 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.509 2.630 0.591 1.00 0.00 C ATOM 0 H LEU A 27 1.238 4.186 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 27 0.625 3.842 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.010 4.477 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.115 4.914 0.974 1.00 0.00 H new ATOM 0 HG LEU A 27 2.650 2.592 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.603 0.807 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.238 1.933 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.632 2.033 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.761 1.599 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.884 2.863 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.967 3.302 1.317 1.00 0.00 H new ATOM 419 N LYS A 28 1.400 6.937 0.077 1.00 0.00 N ATOM 420 CA LYS A 28 1.233 8.335 0.465 1.00 0.00 C ATOM 421 C LYS A 28 -0.236 8.658 0.729 1.00 0.00 C ATOM 422 O LYS A 28 -0.587 9.160 1.797 1.00 0.00 O ATOM 423 CB LYS A 28 1.790 9.259 -0.621 1.00 0.00 C ATOM 424 CG LYS A 28 2.593 10.431 -0.077 1.00 0.00 C ATOM 425 CD LYS A 28 2.407 11.681 -0.925 1.00 0.00 C ATOM 426 CE LYS A 28 2.643 11.402 -2.403 1.00 0.00 C ATOM 427 NZ LYS A 28 1.368 11.383 -3.173 1.00 0.00 N ATOM 0 H LYS A 28 1.948 6.796 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 28 1.790 8.499 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.423 8.677 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.963 9.643 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.287 10.638 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.650 10.166 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.398 12.068 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.096 12.455 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.305 12.163 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.150 10.444 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.514 11.837 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.063 10.399 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.636 11.899 -2.645 1.00 0.00 H new ATOM 441 N LEU A 29 -1.090 8.374 -0.250 1.00 0.00 N ATOM 442 CA LEU A 29 -2.519 8.643 -0.114 1.00 0.00 C ATOM 443 C LEU A 29 -3.099 7.939 1.110 1.00 0.00 C ATOM 444 O LEU A 29 -3.998 8.465 1.767 1.00 0.00 O ATOM 445 CB LEU A 29 -3.275 8.221 -1.378 1.00 0.00 C ATOM 446 CG LEU A 29 -3.719 9.380 -2.274 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.091 8.886 -3.663 1.00 0.00 C ATOM 448 CD2 LEU A 29 -4.883 10.122 -1.637 1.00 0.00 C ATOM 0 H LEU A 29 -0.820 7.960 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.642 9.718 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.639 7.553 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.155 7.649 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.882 10.070 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.403 9.730 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.228 8.403 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.910 8.170 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.189 10.944 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.720 9.437 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.576 10.518 -0.669 1.00 0.00 H new ATOM 460 N GLU A 30 -2.582 6.753 1.417 1.00 0.00 N ATOM 461 CA GLU A 30 -3.060 5.993 2.568 1.00 0.00 C ATOM 462 C GLU A 30 -2.472 6.526 3.870 1.00 0.00 C ATOM 463 O GLU A 30 -2.960 6.207 4.954 1.00 0.00 O ATOM 464 CB GLU A 30 -2.703 4.515 2.426 1.00 0.00 C ATOM 465 CG GLU A 30 -3.846 3.657 1.913 1.00 0.00 C ATOM 466 CD GLU A 30 -4.958 3.511 2.932 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.781 2.738 3.896 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.005 4.171 2.767 1.00 0.00 O ATOM 0 H GLU A 30 -1.837 6.299 0.889 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.144 6.105 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.855 4.419 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.381 4.134 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.248 4.098 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.466 2.670 1.649 1.00 0.00 H new ATOM 475 N GLY A 31 -1.425 7.339 3.767 1.00 0.00 N ATOM 476 CA GLY A 31 -0.807 7.894 4.955 1.00 0.00 C ATOM 477 C GLY A 31 0.389 7.091 5.435 1.00 0.00 C ATOM 478 O GLY A 31 0.767 7.180 6.603 1.00 0.00 O ATOM 0 H GLY A 31 -0.996 7.622 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.491 8.917 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.548 7.944 5.753 1.00 0.00 H new ATOM 482 N TRP A 32 0.997 6.315 4.540 1.00 0.00 N ATOM 483 CA TRP A 32 2.164 5.515 4.902 1.00 0.00 C ATOM 484 C TRP A 32 3.378 6.420 5.082 1.00 0.00 C ATOM 485 O TRP A 32 3.841 6.635 6.202 1.00 0.00 O ATOM 486 CB TRP A 32 2.451 4.452 3.837 1.00 0.00 C ATOM 487 CG TRP A 32 1.341 3.459 3.663 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.007 3.729 3.560 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.466 2.032 3.570 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.699 2.562 3.404 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.171 1.512 3.407 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.544 1.141 3.603 1.00 0.00 C ATOM 493 CZ2 TRP A 32 -0.076 0.152 3.280 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.291 -0.213 3.477 1.00 0.00 C ATOM 495 CH2 TRP A 32 0.989 -0.693 3.317 1.00 0.00 C ATOM 0 H TRP A 32 0.704 6.224 3.567 1.00 0.00 H new ATOM 0 HA TRP A 32 1.954 5.005 5.842 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.637 4.946 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.364 3.920 4.104 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.429 4.716 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.711 2.492 3.302 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.554 1.503 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.081 -0.223 3.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.114 -0.911 3.503 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.825 -1.756 3.221 1.00 0.00 H new ATOM 506 N SER A 33 3.875 6.963 3.975 1.00 0.00 N ATOM 507 CA SER A 33 5.019 7.865 4.017 1.00 0.00 C ATOM 508 C SER A 33 4.540 9.311 4.056 1.00 0.00 C ATOM 509 O SER A 33 3.590 9.675 3.364 1.00 0.00 O ATOM 510 CB SER A 33 5.922 7.649 2.801 1.00 0.00 C ATOM 511 OG SER A 33 7.178 8.281 2.981 1.00 0.00 O ATOM 0 H SER A 33 3.504 6.794 3.040 1.00 0.00 H new ATOM 0 HA SER A 33 5.594 7.652 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.068 6.581 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.437 8.044 1.909 1.00 0.00 H new ATOM 0 HG SER A 33 7.738 8.127 2.191 1.00 0.00 H new ATOM 517 N GLU A 34 5.192 10.133 4.870 1.00 0.00 N ATOM 518 CA GLU A 34 4.809 11.535 4.988 1.00 0.00 C ATOM 519 C GLU A 34 5.278 12.327 3.776 1.00 0.00 C ATOM 520 O GLU A 34 4.611 13.266 3.337 1.00 0.00 O ATOM 521 CB GLU A 34 5.406 12.149 6.257 1.00 0.00 C ATOM 522 CG GLU A 34 5.352 11.237 7.473 1.00 0.00 C ATOM 523 CD GLU A 34 4.286 11.656 8.465 1.00 0.00 C ATOM 524 OE1 GLU A 34 3.121 11.829 8.047 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.616 11.813 9.658 1.00 0.00 O ATOM 0 H GLU A 34 5.982 9.856 5.453 1.00 0.00 H new ATOM 0 HA GLU A 34 3.721 11.580 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.444 12.418 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.875 13.073 6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.160 10.214 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.324 11.237 7.967 1.00 0.00 H new ATOM 532 N SER A 35 6.430 11.943 3.237 1.00 0.00 N ATOM 533 CA SER A 35 6.989 12.618 2.072 1.00 0.00 C ATOM 534 C SER A 35 6.818 11.771 0.813 1.00 0.00 C ATOM 535 O SER A 35 6.708 12.304 -0.291 1.00 0.00 O ATOM 536 CB SER A 35 8.468 12.938 2.304 1.00 0.00 C ATOM 537 OG SER A 35 8.894 12.485 3.578 1.00 0.00 O ATOM 0 H SER A 35 6.994 11.169 3.588 1.00 0.00 H new ATOM 0 HA SER A 35 6.446 13.552 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.071 12.468 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.627 14.013 2.225 1.00 0.00 H new ATOM 0 HG SER A 35 9.494 13.149 3.977 1.00 0.00 H new ATOM 543 N GLY A 36 6.785 10.451 0.986 1.00 0.00 N ATOM 544 CA GLY A 36 6.613 9.560 -0.148 1.00 0.00 C ATOM 545 C GLY A 36 7.877 8.805 -0.522 1.00 0.00 C ATOM 546 O GLY A 36 7.811 7.640 -0.913 1.00 0.00 O ATOM 0 H GLY A 36 6.874 9.985 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.825 8.843 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.278 10.140 -1.008 1.00 0.00 H new ATOM 550 N ALA A 37 9.031 9.462 -0.420 1.00 0.00 N ATOM 551 CA ALA A 37 10.300 8.824 -0.771 1.00 0.00 C ATOM 552 C ALA A 37 11.401 9.117 0.250 1.00 0.00 C ATOM 553 O ALA A 37 12.557 8.743 0.047 1.00 0.00 O ATOM 554 CB ALA A 37 10.741 9.274 -2.154 1.00 0.00 C ATOM 0 H ALA A 37 9.115 10.427 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 37 10.134 7.747 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.686 8.795 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.984 8.994 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.870 10.356 -2.161 1.00 0.00 H new ATOM 560 N GLN A 38 11.048 9.793 1.338 1.00 0.00 N ATOM 561 CA GLN A 38 12.017 10.139 2.371 1.00 0.00 C ATOM 562 C GLN A 38 12.692 8.898 2.951 1.00 0.00 C ATOM 563 O GLN A 38 13.867 8.641 2.689 1.00 0.00 O ATOM 564 CB GLN A 38 11.335 10.934 3.480 1.00 0.00 C ATOM 565 CG GLN A 38 12.273 11.355 4.597 1.00 0.00 C ATOM 566 CD GLN A 38 13.372 12.283 4.113 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.143 13.470 3.889 1.00 0.00 O ATOM 568 NE2 GLN A 38 14.573 11.740 3.950 1.00 0.00 N ATOM 0 H GLN A 38 10.098 10.112 1.527 1.00 0.00 H new ATOM 0 HA GLN A 38 12.792 10.751 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.877 11.824 3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.529 10.334 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.700 11.852 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.721 10.468 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.716 10.750 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.352 12.313 3.626 1.00 0.00 H new ATOM 577 N ALA A 39 11.947 8.135 3.748 1.00 0.00 N ATOM 578 CA ALA A 39 12.480 6.926 4.372 1.00 0.00 C ATOM 579 C ALA A 39 12.594 5.768 3.381 1.00 0.00 C ATOM 580 O ALA A 39 12.740 4.614 3.784 1.00 0.00 O ATOM 581 CB ALA A 39 11.609 6.520 5.552 1.00 0.00 C ATOM 0 H ALA A 39 10.973 8.332 3.977 1.00 0.00 H new ATOM 0 HA ALA A 39 13.486 7.156 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.015 5.618 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.594 7.325 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.594 6.326 5.205 1.00 0.00 H new ATOM 587 N LYS A 40 12.518 6.071 2.087 1.00 0.00 N ATOM 588 CA LYS A 40 12.604 5.042 1.060 1.00 0.00 C ATOM 589 C LYS A 40 11.420 4.089 1.160 1.00 0.00 C ATOM 590 O LYS A 40 11.490 2.941 0.721 1.00 0.00 O ATOM 591 CB LYS A 40 13.921 4.273 1.178 1.00 0.00 C ATOM 592 CG LYS A 40 15.145 5.174 1.213 1.00 0.00 C ATOM 593 CD LYS A 40 16.319 4.498 1.904 1.00 0.00 C ATOM 594 CE LYS A 40 16.163 4.516 3.416 1.00 0.00 C ATOM 595 NZ LYS A 40 15.958 5.895 3.939 1.00 0.00 N ATOM 0 H LYS A 40 12.397 7.018 1.728 1.00 0.00 H new ATOM 0 HA LYS A 40 12.576 5.527 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.899 3.667 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.009 3.586 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.428 5.444 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.901 6.100 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.401 3.468 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.245 5.002 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.317 3.891 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.050 4.081 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.652 6.089 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.082 6.581 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.997 5.980 4.327 1.00 0.00 H new ATOM 609 N ILE A 41 10.324 4.584 1.735 1.00 0.00 N ATOM 610 CA ILE A 41 9.112 3.795 1.888 1.00 0.00 C ATOM 611 C ILE A 41 8.591 3.337 0.528 1.00 0.00 C ATOM 612 O ILE A 41 7.790 2.407 0.439 1.00 0.00 O ATOM 613 CB ILE A 41 8.019 4.603 2.618 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.542 5.083 3.974 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.752 3.774 2.792 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.524 5.860 4.781 1.00 0.00 C ATOM 0 H ILE A 41 10.256 5.533 2.103 1.00 0.00 H new ATOM 0 HA ILE A 41 9.359 2.918 2.486 1.00 0.00 H new ATOM 0 HB ILE A 41 7.767 5.472 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.869 4.219 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.419 5.709 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.998 4.367 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.373 3.479 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.978 2.883 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.968 6.166 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.215 6.744 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.655 5.230 4.974 1.00 0.00 H new ATOM 628 N ALA A 42 9.055 3.995 -0.533 1.00 0.00 N ATOM 629 CA ALA A 42 8.640 3.653 -1.885 1.00 0.00 C ATOM 630 C ALA A 42 9.333 2.377 -2.366 1.00 0.00 C ATOM 631 O ALA A 42 8.736 1.297 -2.374 1.00 0.00 O ATOM 632 CB ALA A 42 8.924 4.811 -2.834 1.00 0.00 C ATOM 0 H ALA A 42 9.719 4.768 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 42 7.566 3.466 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.609 4.541 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.375 5.693 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.992 5.028 -2.834 1.00 0.00 H new ATOM 638 N ILE A 43 10.602 2.507 -2.765 1.00 0.00 N ATOM 639 CA ILE A 43 11.377 1.361 -3.242 1.00 0.00 C ATOM 640 C ILE A 43 11.188 0.161 -2.321 1.00 0.00 C ATOM 641 O ILE A 43 10.953 -0.961 -2.777 1.00 0.00 O ATOM 642 CB ILE A 43 12.883 1.688 -3.338 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.108 3.028 -4.049 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.619 0.572 -4.063 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.328 3.178 -5.338 1.00 0.00 C ATOM 0 H ILE A 43 11.111 3.391 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 43 11.007 1.122 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 43 13.280 1.771 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.832 3.837 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.171 3.140 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.680 0.815 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.492 -0.363 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.214 0.462 -5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.540 4.151 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.620 2.391 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.261 3.100 -5.129 1.00 0.00 H new ATOM 657 N ALA A 44 11.272 0.412 -1.017 1.00 0.00 N ATOM 658 CA ALA A 44 11.089 -0.640 -0.028 1.00 0.00 C ATOM 659 C ALA A 44 9.721 -1.283 -0.205 1.00 0.00 C ATOM 660 O ALA A 44 9.618 -2.478 -0.476 1.00 0.00 O ATOM 661 CB ALA A 44 11.247 -0.079 1.378 1.00 0.00 C ATOM 0 H ALA A 44 11.465 1.333 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 44 11.853 -1.404 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.107 -0.878 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.245 0.344 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.502 0.699 1.545 1.00 0.00 H new ATOM 667 N GLU A 45 8.667 -0.480 -0.051 1.00 0.00 N ATOM 668 CA GLU A 45 7.298 -0.969 -0.199 1.00 0.00 C ATOM 669 C GLU A 45 7.206 -2.027 -1.300 1.00 0.00 C ATOM 670 O GLU A 45 6.446 -2.989 -1.187 1.00 0.00 O ATOM 671 CB GLU A 45 6.343 0.185 -0.502 1.00 0.00 C ATOM 672 CG GLU A 45 4.947 -0.272 -0.888 1.00 0.00 C ATOM 673 CD GLU A 45 4.198 -0.885 0.277 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.827 -0.137 1.206 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.984 -2.115 0.262 1.00 0.00 O ATOM 0 H GLU A 45 8.737 0.512 0.176 1.00 0.00 H new ATOM 0 HA GLU A 45 7.007 -1.429 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.277 0.831 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.757 0.786 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.383 0.578 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.016 -1.001 -1.696 1.00 0.00 H new ATOM 682 N GLY A 46 7.993 -1.851 -2.356 1.00 0.00 N ATOM 683 CA GLY A 46 7.989 -2.816 -3.439 1.00 0.00 C ATOM 684 C GLY A 46 8.667 -4.117 -3.037 1.00 0.00 C ATOM 685 O GLY A 46 8.004 -5.138 -2.855 1.00 0.00 O ATOM 0 H GLY A 46 8.629 -1.063 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.962 -3.019 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.498 -2.393 -4.305 1.00 0.00 H new ATOM 689 N GLN A 47 9.998 -4.078 -2.925 1.00 0.00 N ATOM 690 CA GLN A 47 10.803 -5.260 -2.567 1.00 0.00 C ATOM 691 C GLN A 47 10.160 -6.136 -1.482 1.00 0.00 C ATOM 692 O GLN A 47 10.531 -7.300 -1.329 1.00 0.00 O ATOM 693 CB GLN A 47 12.199 -4.843 -2.090 1.00 0.00 C ATOM 694 CG GLN A 47 12.184 -3.900 -0.899 1.00 0.00 C ATOM 695 CD GLN A 47 12.511 -4.597 0.407 1.00 0.00 C ATOM 696 OE1 GLN A 47 11.847 -4.382 1.421 1.00 0.00 O ATOM 697 NE2 GLN A 47 13.542 -5.434 0.392 1.00 0.00 N ATOM 0 H GLN A 47 10.549 -3.234 -3.078 1.00 0.00 H new ATOM 0 HA GLN A 47 10.867 -5.853 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.765 -5.737 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.726 -4.363 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.903 -3.098 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.201 -3.436 -0.821 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.065 -5.583 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.810 -5.928 1.243 1.00 0.00 H new ATOM 706 N VAL A 48 9.213 -5.588 -0.727 1.00 0.00 N ATOM 707 CA VAL A 48 8.566 -6.365 0.332 1.00 0.00 C ATOM 708 C VAL A 48 7.570 -7.362 -0.259 1.00 0.00 C ATOM 709 O VAL A 48 7.927 -8.514 -0.491 1.00 0.00 O ATOM 710 CB VAL A 48 7.864 -5.494 1.406 1.00 0.00 C ATOM 711 CG1 VAL A 48 8.373 -5.863 2.791 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.064 -4.010 1.142 1.00 0.00 C ATOM 0 H VAL A 48 8.879 -4.629 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 48 9.370 -6.899 0.839 1.00 0.00 H new ATOM 0 HB VAL A 48 6.794 -5.694 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.874 -5.246 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.162 -6.914 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.449 -5.694 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.558 -3.432 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.129 -3.779 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.648 -3.755 0.167 1.00 0.00 H new ATOM 722 N LYS A 49 6.328 -6.938 -0.511 1.00 0.00 N ATOM 723 CA LYS A 49 5.334 -7.849 -1.083 1.00 0.00 C ATOM 724 C LYS A 49 4.009 -7.147 -1.370 1.00 0.00 C ATOM 725 O LYS A 49 3.450 -6.471 -0.506 1.00 0.00 O ATOM 726 CB LYS A 49 5.097 -9.032 -0.137 1.00 0.00 C ATOM 727 CG LYS A 49 5.743 -10.329 -0.604 1.00 0.00 C ATOM 728 CD LYS A 49 4.870 -11.062 -1.607 1.00 0.00 C ATOM 729 CE LYS A 49 3.573 -11.539 -0.975 1.00 0.00 C ATOM 730 NZ LYS A 49 3.812 -12.283 0.292 1.00 0.00 N ATOM 0 H LYS A 49 5.992 -5.991 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 49 5.732 -8.208 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.483 -8.779 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.024 -9.190 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.711 -10.112 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.929 -10.973 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.646 -10.403 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.415 -11.916 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.930 -10.682 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.042 -12.181 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.963 -12.830 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.617 -12.930 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.024 -11.609 1.056 1.00 0.00 H new ATOM 744 N VAL A 50 3.501 -7.341 -2.585 1.00 0.00 N ATOM 745 CA VAL A 50 2.231 -6.760 -2.993 1.00 0.00 C ATOM 746 C VAL A 50 1.300 -7.858 -3.492 1.00 0.00 C ATOM 747 O VAL A 50 1.760 -8.878 -4.002 1.00 0.00 O ATOM 748 CB VAL A 50 2.417 -5.707 -4.106 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.085 -5.070 -4.474 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.420 -4.648 -3.676 1.00 0.00 C ATOM 0 H VAL A 50 3.956 -7.901 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 50 1.798 -6.265 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 50 2.808 -6.210 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.240 -4.331 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.400 -5.839 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.660 -4.583 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.538 -3.914 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.060 -4.151 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.381 -5.119 -3.471 1.00 0.00 H new ATOM 760 N ASP A 51 -0.003 -7.653 -3.339 1.00 0.00 N ATOM 761 CA ASP A 51 -0.980 -8.643 -3.780 1.00 0.00 C ATOM 762 C ASP A 51 -0.956 -8.781 -5.297 1.00 0.00 C ATOM 763 O ASP A 51 -1.886 -8.360 -5.986 1.00 0.00 O ATOM 764 CB ASP A 51 -2.380 -8.254 -3.319 1.00 0.00 C ATOM 765 CG ASP A 51 -2.802 -8.986 -2.061 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.930 -9.251 -1.207 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.006 -9.293 -1.928 1.00 0.00 O ATOM 0 H ASP A 51 -0.406 -6.817 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.715 -9.602 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.414 -7.180 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.093 -8.466 -4.115 1.00 0.00 H new ATOM 772 N GLY A 52 0.116 -9.367 -5.808 1.00 0.00 N ATOM 773 CA GLY A 52 0.251 -9.545 -7.236 1.00 0.00 C ATOM 774 C GLY A 52 1.640 -9.194 -7.733 1.00 0.00 C ATOM 775 O GLY A 52 2.029 -9.598 -8.829 1.00 0.00 O ATOM 0 H GLY A 52 0.896 -9.723 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.027 -10.580 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.483 -8.923 -7.748 1.00 0.00 H new ATOM 779 N ALA A 53 2.391 -8.440 -6.931 1.00 0.00 N ATOM 780 CA ALA A 53 3.739 -8.042 -7.312 1.00 0.00 C ATOM 781 C ALA A 53 4.731 -8.321 -6.191 1.00 0.00 C ATOM 782 O ALA A 53 4.476 -8.012 -5.027 1.00 0.00 O ATOM 783 CB ALA A 53 3.768 -6.570 -7.692 1.00 0.00 C ATOM 0 H ALA A 53 2.088 -8.096 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 53 4.034 -8.634 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.782 -6.287 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.096 -6.398 -8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.447 -5.968 -6.842 1.00 0.00 H new ATOM 789 N VAL A 54 5.871 -8.890 -6.556 1.00 0.00 N ATOM 790 CA VAL A 54 6.922 -9.198 -5.600 1.00 0.00 C ATOM 791 C VAL A 54 8.233 -8.547 -6.028 1.00 0.00 C ATOM 792 O VAL A 54 9.316 -9.067 -5.761 1.00 0.00 O ATOM 793 CB VAL A 54 7.119 -10.719 -5.469 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.664 -11.311 -6.762 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.029 -11.046 -4.292 1.00 0.00 C ATOM 0 H VAL A 54 6.092 -9.149 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 54 6.621 -8.801 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 54 6.146 -11.172 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.794 -12.387 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.963 -11.118 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.625 -10.853 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.154 -12.126 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.001 -10.577 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.583 -10.669 -3.372 1.00 0.00 H new ATOM 805 N GLU A 55 8.126 -7.412 -6.713 1.00 0.00 N ATOM 806 CA GLU A 55 9.300 -6.700 -7.197 1.00 0.00 C ATOM 807 C GLU A 55 9.444 -5.340 -6.526 1.00 0.00 C ATOM 808 O GLU A 55 8.479 -4.779 -6.009 1.00 0.00 O ATOM 809 CB GLU A 55 9.219 -6.524 -8.712 1.00 0.00 C ATOM 810 CG GLU A 55 9.103 -7.837 -9.471 1.00 0.00 C ATOM 811 CD GLU A 55 9.650 -7.746 -10.882 1.00 0.00 C ATOM 812 OE1 GLU A 55 10.367 -6.769 -11.180 1.00 0.00 O ATOM 813 OE2 GLU A 55 9.361 -8.655 -11.690 1.00 0.00 O ATOM 0 H GLU A 55 7.238 -6.967 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 55 10.178 -7.295 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.359 -5.898 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.106 -5.992 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.639 -8.615 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.056 -8.138 -9.510 1.00 0.00 H new ATOM 820 N THR A 56 10.666 -4.823 -6.540 1.00 0.00 N ATOM 821 CA THR A 56 10.964 -3.533 -5.931 1.00 0.00 C ATOM 822 C THR A 56 11.022 -2.424 -6.975 1.00 0.00 C ATOM 823 O THR A 56 12.041 -1.745 -7.118 1.00 0.00 O ATOM 824 CB THR A 56 12.291 -3.610 -5.183 1.00 0.00 C ATOM 825 OG1 THR A 56 12.533 -2.414 -4.463 1.00 0.00 O ATOM 826 CG2 THR A 56 13.479 -3.853 -6.088 1.00 0.00 C ATOM 0 H THR A 56 11.471 -5.280 -6.969 1.00 0.00 H new ATOM 0 HA THR A 56 10.162 -3.296 -5.233 1.00 0.00 H new ATOM 0 HB THR A 56 12.191 -4.461 -4.510 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.695 -2.095 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.389 -3.896 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.347 -4.797 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.558 -3.041 -6.811 1.00 0.00 H new ATOM 834 N ARG A 57 9.930 -2.240 -7.704 1.00 0.00 N ATOM 835 CA ARG A 57 9.868 -1.212 -8.733 1.00 0.00 C ATOM 836 C ARG A 57 9.381 0.115 -8.159 1.00 0.00 C ATOM 837 O ARG A 57 8.949 0.183 -7.009 1.00 0.00 O ATOM 838 CB ARG A 57 8.945 -1.657 -9.866 1.00 0.00 C ATOM 839 CG ARG A 57 9.680 -2.316 -11.020 1.00 0.00 C ATOM 840 CD ARG A 57 8.812 -2.381 -12.265 1.00 0.00 C ATOM 841 NE ARG A 57 9.377 -3.269 -13.279 1.00 0.00 N ATOM 842 CZ ARG A 57 9.656 -2.899 -14.530 1.00 0.00 C ATOM 843 NH1 ARG A 57 9.424 -1.656 -14.938 1.00 0.00 N ATOM 844 NH2 ARG A 57 10.169 -3.779 -15.378 1.00 0.00 N ATOM 0 H ARG A 57 9.076 -2.789 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 57 10.875 -1.066 -9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.206 -2.354 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.398 -0.792 -10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.591 -1.759 -11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.983 -3.323 -10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.815 -2.728 -11.994 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.699 -1.380 -12.681 1.00 0.00 H new ATOM 0 HE ARG A 57 9.571 -4.234 -13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.028 -0.973 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.642 -1.385 -15.897 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.349 -4.736 -15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.384 -3.500 -16.335 1.00 0.00 H new ATOM 858 N LYS A 58 9.448 1.162 -8.974 1.00 0.00 N ATOM 859 CA LYS A 58 9.009 2.488 -8.557 1.00 0.00 C ATOM 860 C LYS A 58 7.487 2.565 -8.562 1.00 0.00 C ATOM 861 O LYS A 58 6.872 3.014 -7.596 1.00 0.00 O ATOM 862 CB LYS A 58 9.592 3.557 -9.483 1.00 0.00 C ATOM 863 CG LYS A 58 10.728 4.351 -8.856 1.00 0.00 C ATOM 864 CD LYS A 58 12.060 4.058 -9.531 1.00 0.00 C ATOM 865 CE LYS A 58 12.654 5.308 -10.162 1.00 0.00 C ATOM 866 NZ LYS A 58 13.216 6.236 -9.141 1.00 0.00 N ATOM 0 H LYS A 58 9.803 1.117 -9.929 1.00 0.00 H new ATOM 0 HA LYS A 58 9.367 2.670 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.953 3.079 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.798 4.244 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.510 5.417 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.797 4.111 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.758 3.652 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.921 3.294 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.438 5.022 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.885 5.824 -10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.610 7.074 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.463 6.530 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.968 5.753 -8.609 1.00 0.00 H new ATOM 880 N ARG A 59 6.888 2.110 -9.656 1.00 0.00 N ATOM 881 CA ARG A 59 5.438 2.108 -9.796 1.00 0.00 C ATOM 882 C ARG A 59 4.941 0.692 -10.060 1.00 0.00 C ATOM 883 O ARG A 59 5.686 -0.147 -10.566 1.00 0.00 O ATOM 884 CB ARG A 59 5.009 3.036 -10.934 1.00 0.00 C ATOM 885 CG ARG A 59 5.603 2.658 -12.282 1.00 0.00 C ATOM 886 CD ARG A 59 4.527 2.484 -13.341 1.00 0.00 C ATOM 887 NE ARG A 59 4.081 3.764 -13.887 1.00 0.00 N ATOM 888 CZ ARG A 59 4.806 4.509 -14.718 1.00 0.00 C ATOM 889 NH1 ARG A 59 6.012 4.106 -15.100 1.00 0.00 N ATOM 890 NH2 ARG A 59 4.326 5.660 -15.169 1.00 0.00 N ATOM 0 H ARG A 59 7.388 1.736 -10.463 1.00 0.00 H new ATOM 0 HA ARG A 59 4.998 2.471 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.922 3.027 -11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.303 4.057 -10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.305 3.429 -12.600 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.170 1.732 -12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.911 1.860 -14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.676 1.958 -12.909 1.00 0.00 H new ATOM 0 HE ARG A 59 3.160 4.107 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.387 3.222 -14.756 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.564 4.681 -15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.400 5.975 -14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.883 6.230 -15.806 1.00 0.00 H new ATOM 904 N CYS A 60 3.687 0.421 -9.709 1.00 0.00 N ATOM 905 CA CYS A 60 3.125 -0.907 -9.912 1.00 0.00 C ATOM 906 C CYS A 60 1.707 -0.834 -10.467 1.00 0.00 C ATOM 907 O CYS A 60 0.806 -0.291 -9.829 1.00 0.00 O ATOM 908 CB CYS A 60 3.131 -1.690 -8.598 1.00 0.00 C ATOM 909 SG CYS A 60 3.592 -3.429 -8.775 1.00 0.00 S ATOM 0 H CYS A 60 3.049 1.096 -9.288 1.00 0.00 H new ATOM 0 HA CYS A 60 3.748 -1.423 -10.643 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.823 -1.211 -7.905 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.139 -1.632 -8.149 1.00 0.00 H new ATOM 0 HG CYS A 60 4.176 -3.836 -7.687 1.00 0.00 H new ATOM 915 N LYS A 61 1.516 -1.400 -11.654 1.00 0.00 N ATOM 916 CA LYS A 61 0.204 -1.416 -12.288 1.00 0.00 C ATOM 917 C LYS A 61 -0.739 -2.325 -11.508 1.00 0.00 C ATOM 918 O LYS A 61 -0.859 -3.512 -11.807 1.00 0.00 O ATOM 919 CB LYS A 61 0.317 -1.907 -13.733 1.00 0.00 C ATOM 920 CG LYS A 61 0.624 -0.808 -14.735 1.00 0.00 C ATOM 921 CD LYS A 61 1.182 -1.379 -16.029 1.00 0.00 C ATOM 922 CE LYS A 61 1.897 -0.314 -16.847 1.00 0.00 C ATOM 923 NZ LYS A 61 1.539 -0.391 -18.291 1.00 0.00 N ATOM 0 H LYS A 61 2.252 -1.853 -12.195 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.194 -0.401 -12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.099 -2.664 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.617 -2.392 -14.016 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.283 -0.242 -14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.342 -0.110 -14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.874 -2.190 -15.801 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.371 -1.808 -16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.641 0.673 -16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.975 -0.431 -16.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.046 0.351 -18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.806 -1.324 -18.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.514 -0.254 -18.402 1.00 0.00 H new ATOM 937 N ILE A 62 -1.392 -1.767 -10.494 1.00 0.00 N ATOM 938 CA ILE A 62 -2.305 -2.541 -9.663 1.00 0.00 C ATOM 939 C ILE A 62 -3.616 -1.795 -9.418 1.00 0.00 C ATOM 940 O ILE A 62 -3.625 -0.581 -9.212 1.00 0.00 O ATOM 941 CB ILE A 62 -1.646 -2.894 -8.315 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.295 -3.573 -8.561 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.562 -3.786 -7.487 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.387 -4.070 -7.303 1.00 0.00 C ATOM 0 H ILE A 62 -1.306 -0.786 -10.229 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.533 -3.460 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.477 -1.977 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.442 -4.414 -9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.367 -2.869 -9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.079 -4.024 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.500 -3.266 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.763 -4.708 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.336 -4.537 -7.564 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.568 -3.231 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.252 -4.800 -6.807 1.00 0.00 H new ATOM 956 N VAL A 63 -4.720 -2.537 -9.452 1.00 0.00 N ATOM 957 CA VAL A 63 -6.047 -1.960 -9.243 1.00 0.00 C ATOM 958 C VAL A 63 -7.012 -2.991 -8.672 1.00 0.00 C ATOM 959 O VAL A 63 -6.665 -4.162 -8.520 1.00 0.00 O ATOM 960 CB VAL A 63 -6.658 -1.407 -10.545 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.318 0.058 -10.703 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.193 -2.210 -11.753 1.00 0.00 C ATOM 0 H VAL A 63 -4.722 -3.543 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.906 -1.141 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.742 -1.504 -10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.756 0.436 -11.627 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.717 0.617 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.235 0.178 -10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.640 -1.798 -12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.107 -2.158 -11.828 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.499 -3.250 -11.639 1.00 0.00 H new ATOM 972 N ALA A 64 -8.232 -2.544 -8.372 1.00 0.00 N ATOM 973 CA ALA A 64 -9.274 -3.416 -7.834 1.00 0.00 C ATOM 974 C ALA A 64 -9.026 -3.745 -6.358 1.00 0.00 C ATOM 975 O ALA A 64 -8.392 -2.968 -5.644 1.00 0.00 O ATOM 976 CB ALA A 64 -9.399 -4.680 -8.688 1.00 0.00 C ATOM 0 H ALA A 64 -8.523 -1.574 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.224 -2.884 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.179 -5.321 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.658 -4.404 -9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.450 -5.216 -8.686 1.00 0.00 H new ATOM 982 N GLY A 65 -9.544 -4.883 -5.898 1.00 0.00 N ATOM 983 CA GLY A 65 -9.384 -5.271 -4.513 1.00 0.00 C ATOM 984 C GLY A 65 -8.074 -5.982 -4.250 1.00 0.00 C ATOM 985 O GLY A 65 -8.031 -7.207 -4.148 1.00 0.00 O ATOM 0 H GLY A 65 -10.074 -5.544 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.443 -4.384 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.210 -5.922 -4.225 1.00 0.00 H new ATOM 989 N GLN A 66 -7.002 -5.207 -4.147 1.00 0.00 N ATOM 990 CA GLN A 66 -5.674 -5.765 -3.900 1.00 0.00 C ATOM 991 C GLN A 66 -5.056 -5.183 -2.631 1.00 0.00 C ATOM 992 O GLN A 66 -5.441 -4.109 -2.172 1.00 0.00 O ATOM 993 CB GLN A 66 -4.750 -5.501 -5.090 1.00 0.00 C ATOM 994 CG GLN A 66 -5.386 -5.804 -6.437 1.00 0.00 C ATOM 995 CD GLN A 66 -4.859 -7.084 -7.058 1.00 0.00 C ATOM 996 OE1 GLN A 66 -3.897 -6.950 -7.963 1.00 0.00 O flip ATOM 997 NE2 GLN A 66 -5.312 -8.180 -6.728 1.00 0.00 N flip ATOM 0 H GLN A 66 -7.024 -4.191 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.789 -6.841 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.439 -4.457 -5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.849 -6.104 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.466 -5.882 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.201 -4.972 -7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.052 -8.236 -6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.948 -9.032 -7.155 1.00 0.00 H new ATOM 1006 N THR A 67 -4.113 -5.924 -2.060 1.00 0.00 N ATOM 1007 CA THR A 67 -3.445 -5.524 -0.824 1.00 0.00 C ATOM 1008 C THR A 67 -1.965 -5.209 -1.040 1.00 0.00 C ATOM 1009 O THR A 67 -1.336 -5.706 -1.972 1.00 0.00 O ATOM 1010 CB THR A 67 -3.571 -6.650 0.207 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.834 -7.288 0.113 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.394 -6.184 1.634 1.00 0.00 C ATOM 0 H THR A 67 -3.790 -6.815 -2.437 1.00 0.00 H new ATOM 0 HA THR A 67 -3.930 -4.615 -0.468 1.00 0.00 H new ATOM 0 HB THR A 67 -2.764 -7.343 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.784 -8.017 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.496 -7.033 2.309 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.404 -5.743 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.154 -5.439 1.870 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.418 -4.383 -0.149 1.00 0.00 N ATOM 1021 CA VAL A 68 -0.013 -3.997 -0.206 1.00 0.00 C ATOM 1022 C VAL A 68 0.658 -4.308 1.133 1.00 0.00 C ATOM 1023 O VAL A 68 0.062 -4.106 2.190 1.00 0.00 O ATOM 1024 CB VAL A 68 0.132 -2.491 -0.581 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.927 -1.685 0.448 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.758 -2.353 -1.960 1.00 0.00 C ATOM 0 H VAL A 68 -1.934 -3.966 0.626 1.00 0.00 H new ATOM 0 HA VAL A 68 0.486 -4.573 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.874 -2.073 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.990 -0.646 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.427 -1.735 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.931 -2.099 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.855 -1.297 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.744 -2.818 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.125 -2.845 -2.698 1.00 0.00 H new ATOM 1036 N SER A 69 1.890 -4.812 1.091 1.00 0.00 N ATOM 1037 CA SER A 69 2.602 -5.155 2.319 1.00 0.00 C ATOM 1038 C SER A 69 4.041 -4.647 2.316 1.00 0.00 C ATOM 1039 O SER A 69 4.804 -4.898 1.375 1.00 0.00 O ATOM 1040 CB SER A 69 2.589 -6.671 2.529 1.00 0.00 C ATOM 1041 OG SER A 69 1.425 -7.254 1.970 1.00 0.00 O ATOM 0 H SER A 69 2.410 -4.990 0.232 1.00 0.00 H new ATOM 0 HA SER A 69 2.082 -4.663 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.475 -7.112 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.635 -6.894 3.595 1.00 0.00 H new ATOM 0 HG SER A 69 1.442 -8.223 2.116 1.00 0.00 H new ATOM 1047 N PHE A 70 4.403 -3.947 3.392 1.00 0.00 N ATOM 1048 CA PHE A 70 5.748 -3.405 3.555 1.00 0.00 C ATOM 1049 C PHE A 70 6.153 -3.405 5.025 1.00 0.00 C ATOM 1050 O PHE A 70 5.440 -2.867 5.871 1.00 0.00 O ATOM 1051 CB PHE A 70 5.833 -1.981 2.990 1.00 0.00 C ATOM 1052 CG PHE A 70 7.095 -1.245 3.365 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.289 -1.927 3.545 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.083 0.129 3.542 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.443 -1.256 3.892 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.236 0.808 3.890 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.418 0.114 4.065 1.00 0.00 C ATOM 0 H PHE A 70 3.775 -3.742 4.169 1.00 0.00 H new ATOM 0 HA PHE A 70 6.436 -4.043 3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.761 -2.028 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.974 -1.410 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.316 -2.998 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.162 0.676 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.365 -1.801 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.213 1.879 4.025 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.320 0.642 4.336 1.00 0.00 H new ATOM 1067 N ALA A 71 7.306 -4.005 5.315 1.00 0.00 N ATOM 1068 CA ALA A 71 7.824 -4.079 6.677 1.00 0.00 C ATOM 1069 C ALA A 71 6.735 -4.500 7.663 1.00 0.00 C ATOM 1070 O ALA A 71 6.575 -5.685 7.954 1.00 0.00 O ATOM 1071 CB ALA A 71 8.437 -2.745 7.080 1.00 0.00 C ATOM 0 H ALA A 71 7.902 -4.450 4.617 1.00 0.00 H new ATOM 0 HA ALA A 71 8.602 -4.842 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.820 -2.813 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.254 -2.500 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.677 -1.965 7.030 1.00 0.00 H new ATOM 1077 N GLY A 72 5.988 -3.525 8.170 1.00 0.00 N ATOM 1078 CA GLY A 72 4.925 -3.817 9.110 1.00 0.00 C ATOM 1079 C GLY A 72 3.593 -3.227 8.695 1.00 0.00 C ATOM 1080 O GLY A 72 2.568 -3.513 9.313 1.00 0.00 O ATOM 0 H GLY A 72 6.101 -2.536 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.823 -4.897 9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.198 -3.430 10.092 1.00 0.00 H new ATOM 1084 N HIS A 73 3.600 -2.393 7.660 1.00 0.00 N ATOM 1085 CA HIS A 73 2.373 -1.764 7.199 1.00 0.00 C ATOM 1086 C HIS A 73 1.668 -2.618 6.147 1.00 0.00 C ATOM 1087 O HIS A 73 2.133 -2.730 5.012 1.00 0.00 O ATOM 1088 CB HIS A 73 2.664 -0.376 6.620 1.00 0.00 C ATOM 1089 CG HIS A 73 3.694 0.402 7.378 1.00 0.00 C ATOM 1090 ND1 HIS A 73 4.001 0.165 8.701 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.494 1.424 6.988 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.943 1.004 9.093 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.259 1.778 8.071 1.00 0.00 N ATOM 0 H HIS A 73 4.434 -2.140 7.131 1.00 0.00 H new ATOM 0 HA HIS A 73 1.714 -1.665 8.062 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.996 -0.488 5.588 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.737 0.197 6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.524 1.876 6.007 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.380 1.049 10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.959 2.520 8.084 1.00 0.00 H new ATOM 1101 N SER A 74 0.540 -3.207 6.528 1.00 0.00 N ATOM 1102 CA SER A 74 -0.240 -4.037 5.614 1.00 0.00 C ATOM 1103 C SER A 74 -1.646 -3.467 5.448 1.00 0.00 C ATOM 1104 O SER A 74 -2.407 -3.380 6.411 1.00 0.00 O ATOM 1105 CB SER A 74 -0.312 -5.478 6.129 1.00 0.00 C ATOM 1106 OG SER A 74 0.810 -6.235 5.700 1.00 0.00 O ATOM 0 H SER A 74 0.144 -3.126 7.464 1.00 0.00 H new ATOM 0 HA SER A 74 0.254 -4.038 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.357 -5.476 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.229 -5.948 5.773 1.00 0.00 H new ATOM 0 HG SER A 74 0.739 -7.150 6.045 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.982 -3.067 4.224 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.293 -2.490 3.944 1.00 0.00 C ATOM 1114 C VAL A 75 -3.842 -2.969 2.605 1.00 0.00 C ATOM 1115 O VAL A 75 -3.090 -3.425 1.743 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.226 -0.954 3.933 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.614 -0.356 3.862 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.476 -0.440 5.153 1.00 0.00 C ATOM 0 H VAL A 75 -1.367 -3.132 3.413 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.960 -2.822 4.740 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.679 -0.643 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.542 0.732 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.109 -0.692 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.193 -0.676 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.440 0.649 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.989 -0.764 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.461 -0.837 5.150 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.160 -2.864 2.435 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.810 -3.294 1.202 1.00 0.00 C ATOM 1130 C GLN A 76 -6.384 -2.109 0.430 1.00 0.00 C ATOM 1131 O GLN A 76 -6.551 -1.017 0.975 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.923 -4.298 1.508 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.452 -5.514 2.286 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.544 -6.111 3.150 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.748 -5.693 4.290 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -8.252 -7.097 2.611 1.00 0.00 N ATOM 0 H GLN A 76 -5.796 -2.485 3.136 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.052 -3.772 0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.707 -3.796 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.370 -4.628 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.092 -6.270 1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.608 -5.233 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.048 -7.412 1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.999 -7.540 3.146 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.679 -2.342 -0.845 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.233 -1.313 -1.718 1.00 0.00 C ATOM 1147 C VAL A 77 -8.437 -1.858 -2.479 1.00 0.00 C ATOM 1148 O VAL A 77 -8.480 -3.042 -2.804 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.182 -0.816 -2.733 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.677 0.422 -3.459 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.850 -0.537 -2.049 1.00 0.00 C ATOM 0 H VAL A 77 -6.542 -3.244 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.539 -0.478 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.027 -1.606 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.920 0.754 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.597 0.187 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.870 1.215 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.128 -0.188 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.987 0.229 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.481 -1.451 -1.584 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.411 -0.993 -2.769 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.607 -1.410 -3.498 1.00 0.00 C ATOM 1163 C VAL A 78 -10.882 -0.489 -4.686 1.00 0.00 C ATOM 1164 O VAL A 78 -10.361 0.624 -4.756 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.852 -1.431 -2.587 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.722 -2.511 -1.525 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.073 -0.069 -1.947 1.00 0.00 C ATOM 0 H VAL A 78 -9.394 -0.006 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.412 -2.420 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.721 -1.662 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.610 -2.509 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.621 -3.484 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.841 -2.316 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.956 -0.106 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.202 0.197 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.219 0.680 -2.726 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.706 -0.962 -5.618 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.054 -0.184 -6.802 1.00 0.00 C ATOM 1179 C ALA A 79 -13.341 -0.699 -7.438 1.00 0.00 C ATOM 1180 O ALA A 79 -13.484 -0.571 -8.672 1.00 0.00 O ATOM 1181 CB ALA A 79 -10.910 -0.212 -7.807 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.196 -1.227 -6.696 1.00 0.00 O ATOM 0 H ALA A 79 -12.145 -1.882 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.223 0.848 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.183 0.372 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.015 0.213 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.711 -1.242 -8.104 1.00 0.00 H new