USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 56 ASN : amide:sc= 0.00848 K(o=0.44,f=-11!) USER MOD Set 1.2: A 57 THR OG1 : rot -67:sc= 0.436 USER MOD Set 2.1: A 44 ASN : amide:sc= -3.68! C(o=-3.4!,f=-12!) USER MOD Set 2.2: A 46 SER OG : rot 88:sc= 0.233 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 146:sc= 0.873 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00408 K(o=-0.0041,f=-1.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.162 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.2) USER MOD Single : A 59 ASN : amide:sc= -3.32 K(o=-3.3,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.004 -0.753 3.588 1.00 0.00 N ATOM 96 CA LYS A 7 -5.199 -1.895 3.060 1.00 0.00 C ATOM 97 C LYS A 7 -5.313 -1.963 1.535 1.00 0.00 C ATOM 98 O LYS A 7 -6.399 -2.016 0.988 1.00 0.00 O ATOM 99 CB LYS A 7 -5.815 -3.140 3.700 1.00 0.00 C ATOM 100 CG LYS A 7 -5.531 -3.136 5.202 1.00 0.00 C ATOM 101 CD LYS A 7 -5.661 -4.559 5.751 1.00 0.00 C ATOM 102 CE LYS A 7 -7.139 -4.885 5.981 1.00 0.00 C ATOM 103 NZ LYS A 7 -7.157 -5.745 7.196 1.00 0.00 N ATOM 0 HA LYS A 7 -4.139 -1.797 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.890 -3.159 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.401 -4.039 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.529 -2.752 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.229 -2.473 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.225 -5.272 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.108 -4.652 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.725 -3.978 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.567 -5.404 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.137 -6.011 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.597 -6.604 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.750 -5.222 7.997 1.00 0.00 H new ATOM 117 N VAL A 8 -4.199 -1.981 0.849 1.00 0.00 N ATOM 118 CA VAL A 8 -4.232 -2.070 -0.643 1.00 0.00 C ATOM 119 C VAL A 8 -3.323 -3.203 -1.128 1.00 0.00 C ATOM 120 O VAL A 8 -2.301 -3.486 -0.531 1.00 0.00 O ATOM 121 CB VAL A 8 -3.721 -0.712 -1.141 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.660 0.394 -0.659 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.311 -0.451 -0.597 1.00 0.00 C ATOM 0 H VAL A 8 -3.266 -1.938 1.258 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.232 -2.286 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.690 -0.721 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.297 1.359 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.662 0.217 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.692 0.395 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.956 0.515 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.336 -0.447 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.637 -1.236 -0.941 1.00 0.00 H new ATOM 133 N ARG A 9 -3.626 -3.769 -2.269 1.00 0.00 N ATOM 134 CA ARG A 9 -2.714 -4.788 -2.872 1.00 0.00 C ATOM 135 C ARG A 9 -1.371 -4.147 -3.235 1.00 0.00 C ATOM 136 O ARG A 9 -1.326 -3.137 -3.913 1.00 0.00 O ATOM 137 CB ARG A 9 -3.427 -5.274 -4.136 1.00 0.00 C ATOM 138 CG ARG A 9 -4.308 -6.478 -3.799 1.00 0.00 C ATOM 139 CD ARG A 9 -4.510 -7.328 -5.057 1.00 0.00 C ATOM 140 NE ARG A 9 -3.167 -7.921 -5.350 1.00 0.00 N ATOM 141 CZ ARG A 9 -3.034 -8.954 -6.158 1.00 0.00 C ATOM 142 NH1 ARG A 9 -4.076 -9.537 -6.707 1.00 0.00 N ATOM 143 NH2 ARG A 9 -1.839 -9.408 -6.420 1.00 0.00 N ATOM 0 H ARG A 9 -4.467 -3.569 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.506 -5.606 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.035 -4.472 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.695 -5.548 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.843 -7.075 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.271 -6.142 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.256 -8.105 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.862 -6.720 -5.890 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.337 -7.517 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.016 -9.192 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.945 -10.335 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.022 -8.964 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.722 -10.207 -7.044 1.00 0.00 H new ATOM 157 N ILE A 10 -0.291 -4.835 -2.963 1.00 0.00 N ATOM 158 CA ILE A 10 1.035 -4.389 -3.490 1.00 0.00 C ATOM 159 C ILE A 10 1.287 -5.018 -4.864 1.00 0.00 C ATOM 160 O ILE A 10 1.247 -6.225 -5.016 1.00 0.00 O ATOM 161 CB ILE A 10 2.064 -4.888 -2.469 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.757 -4.297 -1.080 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.472 -4.468 -2.906 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.810 -2.763 -1.126 1.00 0.00 C ATOM 0 H ILE A 10 -0.270 -5.685 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 10 1.089 -3.308 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 10 2.011 -5.975 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.771 -4.623 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.477 -4.670 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.200 -4.824 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.694 -4.899 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.524 -3.381 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.591 -2.362 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.805 -2.442 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.072 -2.395 -1.839 1.00 0.00 H new ATOM 176 N LEU A 11 1.444 -4.206 -5.877 1.00 0.00 N ATOM 177 CA LEU A 11 1.576 -4.747 -7.263 1.00 0.00 C ATOM 178 C LEU A 11 3.017 -4.580 -7.754 1.00 0.00 C ATOM 179 O LEU A 11 3.256 -4.269 -8.906 1.00 0.00 O ATOM 180 CB LEU A 11 0.617 -3.908 -8.118 1.00 0.00 C ATOM 181 CG LEU A 11 -0.820 -4.445 -8.010 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.880 -5.900 -8.486 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.298 -4.364 -6.558 1.00 0.00 C ATOM 0 H LEU A 11 1.487 -3.189 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 11 1.338 -5.810 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.647 -2.868 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.940 -3.926 -9.159 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.468 -3.836 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.903 -6.268 -8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.556 -5.956 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.224 -6.512 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.317 -4.746 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.642 -4.962 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.276 -3.326 -6.225 1.00 0.00 H new ATOM 195 N ARG A 12 3.975 -4.773 -6.884 1.00 0.00 N ATOM 196 CA ARG A 12 5.404 -4.617 -7.286 1.00 0.00 C ATOM 197 C ARG A 12 6.126 -5.972 -7.219 1.00 0.00 C ATOM 198 O ARG A 12 6.665 -6.327 -6.189 1.00 0.00 O ATOM 199 CB ARG A 12 5.997 -3.643 -6.267 1.00 0.00 C ATOM 200 CG ARG A 12 7.109 -2.826 -6.926 1.00 0.00 C ATOM 201 CD ARG A 12 7.209 -1.456 -6.249 1.00 0.00 C ATOM 202 NE ARG A 12 8.674 -1.159 -6.183 1.00 0.00 N ATOM 203 CZ ARG A 12 9.159 -0.281 -5.328 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.376 0.404 -4.526 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.448 -0.087 -5.277 1.00 0.00 N ATOM 0 H ARG A 12 3.828 -5.033 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 12 5.508 -4.252 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.220 -2.979 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.392 -4.191 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.059 -3.354 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.903 -2.703 -7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.678 -0.695 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.765 -1.475 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 12 9.311 -1.646 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.366 0.262 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.778 1.077 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.068 -0.612 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.836 0.590 -4.620 1.00 0.00 H new ATOM 219 N PRO A 13 6.119 -6.697 -8.322 1.00 0.00 N ATOM 220 CA PRO A 13 6.790 -8.028 -8.366 1.00 0.00 C ATOM 221 C PRO A 13 8.245 -7.927 -7.889 1.00 0.00 C ATOM 222 O PRO A 13 8.800 -8.873 -7.362 1.00 0.00 O ATOM 223 CB PRO A 13 6.736 -8.410 -9.844 1.00 0.00 C ATOM 224 CG PRO A 13 5.578 -7.647 -10.397 1.00 0.00 C ATOM 225 CD PRO A 13 5.494 -6.364 -9.616 1.00 0.00 C ATOM 0 HA PRO A 13 6.311 -8.761 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.662 -8.146 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.598 -9.484 -9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.719 -7.445 -11.459 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.656 -8.220 -10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.023 -5.554 -10.119 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.461 -6.040 -9.489 1.00 0.00 H new ATOM 233 N GLU A 14 8.846 -6.772 -8.031 1.00 0.00 N ATOM 234 CA GLU A 14 10.246 -6.585 -7.542 1.00 0.00 C ATOM 235 C GLU A 14 10.266 -6.488 -6.014 1.00 0.00 C ATOM 236 O GLU A 14 11.237 -6.849 -5.375 1.00 0.00 O ATOM 237 CB GLU A 14 10.716 -5.270 -8.167 1.00 0.00 C ATOM 238 CG GLU A 14 11.022 -5.491 -9.650 1.00 0.00 C ATOM 239 CD GLU A 14 12.496 -5.861 -9.818 1.00 0.00 C ATOM 240 OE1 GLU A 14 13.335 -5.061 -9.440 1.00 0.00 O ATOM 241 OE2 GLU A 14 12.763 -6.940 -10.322 1.00 0.00 O ATOM 0 H GLU A 14 8.427 -5.950 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 14 10.891 -7.420 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.947 -4.506 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.605 -4.907 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.389 -6.284 -10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.796 -4.588 -10.217 1.00 0.00 H new ATOM 248 N SER A 15 9.192 -6.023 -5.425 1.00 0.00 N ATOM 249 CA SER A 15 9.133 -5.923 -3.935 1.00 0.00 C ATOM 250 C SER A 15 8.917 -7.309 -3.319 1.00 0.00 C ATOM 251 O SER A 15 8.105 -8.085 -3.786 1.00 0.00 O ATOM 252 CB SER A 15 7.939 -5.016 -3.641 1.00 0.00 C ATOM 253 OG SER A 15 7.933 -4.680 -2.260 1.00 0.00 O ATOM 0 H SER A 15 8.353 -5.708 -5.913 1.00 0.00 H new ATOM 0 HA SER A 15 10.057 -5.527 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.997 -4.112 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.010 -5.520 -3.908 1.00 0.00 H new ATOM 0 HG SER A 15 7.586 -3.771 -2.146 1.00 0.00 H new ATOM 259 N TYR A 16 9.616 -7.608 -2.254 1.00 0.00 N ATOM 260 CA TYR A 16 9.433 -8.928 -1.575 1.00 0.00 C ATOM 261 C TYR A 16 7.984 -9.090 -1.102 1.00 0.00 C ATOM 262 O TYR A 16 7.503 -10.194 -0.926 1.00 0.00 O ATOM 263 CB TYR A 16 10.385 -8.903 -0.377 1.00 0.00 C ATOM 264 CG TYR A 16 10.364 -10.247 0.312 1.00 0.00 C ATOM 265 CD1 TYR A 16 9.328 -10.562 1.199 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.382 -11.176 0.064 1.00 0.00 C ATOM 267 CE1 TYR A 16 9.309 -11.808 1.838 1.00 0.00 C ATOM 268 CE2 TYR A 16 11.363 -12.422 0.703 1.00 0.00 C ATOM 269 CZ TYR A 16 10.326 -12.738 1.589 1.00 0.00 C ATOM 270 OH TYR A 16 10.307 -13.966 2.219 1.00 0.00 O ATOM 0 H TYR A 16 10.307 -6.994 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 16 9.644 -9.762 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.397 -8.668 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.088 -8.120 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.544 -9.845 1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.181 -10.932 -0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.510 -12.052 2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 16 12.148 -13.139 0.512 1.00 0.00 H new ATOM 0 HH TYR A 16 11.084 -14.492 1.935 1.00 0.00 H new ATOM 280 N TRP A 17 7.297 -7.999 -0.867 1.00 0.00 N ATOM 281 CA TRP A 17 5.890 -8.086 -0.372 1.00 0.00 C ATOM 282 C TRP A 17 4.907 -7.988 -1.542 1.00 0.00 C ATOM 283 O TRP A 17 3.834 -7.431 -1.414 1.00 0.00 O ATOM 284 CB TRP A 17 5.725 -6.889 0.565 1.00 0.00 C ATOM 285 CG TRP A 17 6.653 -7.031 1.729 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.633 -8.047 2.620 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.734 -6.145 2.141 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.634 -7.843 3.554 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.340 -6.684 3.302 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.243 -4.940 1.627 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.412 -6.048 3.930 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.322 -4.297 2.257 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.905 -4.851 3.405 1.00 0.00 C ATOM 0 H TRP A 17 7.651 -7.051 -0.997 1.00 0.00 H new ATOM 0 HA TRP A 17 5.690 -9.031 0.132 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.936 -5.963 0.029 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.694 -6.827 0.914 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.948 -8.882 2.606 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.826 -8.472 4.333 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.802 -4.505 0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.857 -6.478 4.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.704 -3.371 1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.735 -4.353 3.884 1.00 0.00 H new ATOM 304 N PHE A 18 5.232 -8.598 -2.655 1.00 0.00 N ATOM 305 CA PHE A 18 4.278 -8.623 -3.806 1.00 0.00 C ATOM 306 C PHE A 18 3.090 -9.536 -3.486 1.00 0.00 C ATOM 307 O PHE A 18 3.178 -10.413 -2.649 1.00 0.00 O ATOM 308 CB PHE A 18 5.082 -9.182 -4.982 1.00 0.00 C ATOM 309 CG PHE A 18 4.232 -9.159 -6.230 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.737 -7.944 -6.718 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.939 -10.353 -6.900 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.949 -7.923 -7.875 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.151 -10.332 -8.057 1.00 0.00 C ATOM 314 CZ PHE A 18 2.656 -9.116 -8.545 1.00 0.00 C ATOM 0 H PHE A 18 6.117 -9.080 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 18 3.872 -7.635 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.985 -8.590 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.402 -10.201 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.963 -7.023 -6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.321 -11.291 -6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.567 -6.985 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.925 -11.253 -8.573 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.049 -9.099 -9.438 1.00 0.00 H new ATOM 324 N GLN A 19 1.978 -9.335 -4.154 1.00 0.00 N ATOM 325 CA GLN A 19 0.767 -10.188 -3.906 1.00 0.00 C ATOM 326 C GLN A 19 0.414 -10.212 -2.414 1.00 0.00 C ATOM 327 O GLN A 19 -0.199 -11.144 -1.928 1.00 0.00 O ATOM 328 CB GLN A 19 1.148 -11.590 -4.390 1.00 0.00 C ATOM 329 CG GLN A 19 0.804 -11.729 -5.875 1.00 0.00 C ATOM 330 CD GLN A 19 1.168 -13.135 -6.355 1.00 0.00 C ATOM 331 OE1 GLN A 19 1.180 -14.071 -5.580 1.00 0.00 O ATOM 332 NE2 GLN A 19 1.468 -13.326 -7.610 1.00 0.00 N ATOM 0 H GLN A 19 1.855 -8.613 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.109 -9.802 -4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.213 -11.763 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.615 -12.344 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.259 -11.544 -6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.347 -10.983 -6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.458 -12.541 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.712 -14.260 -7.940 1.00 0.00 H new ATOM 341 N ASP A 20 0.759 -9.171 -1.698 1.00 0.00 N ATOM 342 CA ASP A 20 0.406 -9.101 -0.248 1.00 0.00 C ATOM 343 C ASP A 20 -0.320 -7.788 0.055 1.00 0.00 C ATOM 344 O ASP A 20 0.134 -6.720 -0.312 1.00 0.00 O ATOM 345 CB ASP A 20 1.744 -9.158 0.488 1.00 0.00 C ATOM 346 CG ASP A 20 2.105 -10.615 0.781 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.255 -11.325 1.292 1.00 0.00 O ATOM 348 OD2 ASP A 20 3.226 -10.997 0.489 1.00 0.00 O ATOM 0 H ASP A 20 1.271 -8.365 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.260 -9.909 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.523 -8.694 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.683 -8.593 1.418 1.00 0.00 H new ATOM 353 N VAL A 21 -1.424 -7.859 0.754 1.00 0.00 N ATOM 354 CA VAL A 21 -2.165 -6.616 1.123 1.00 0.00 C ATOM 355 C VAL A 21 -1.499 -5.950 2.333 1.00 0.00 C ATOM 356 O VAL A 21 -1.581 -6.441 3.443 1.00 0.00 O ATOM 357 CB VAL A 21 -3.584 -7.081 1.473 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.443 -5.876 1.861 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.209 -7.774 0.258 1.00 0.00 C ATOM 0 H VAL A 21 -1.845 -8.727 1.086 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.171 -5.882 0.317 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.536 -7.777 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.450 -6.212 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.003 -5.379 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.489 -5.178 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.217 -8.105 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.252 -7.075 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.603 -8.636 -0.021 1.00 0.00 H new ATOM 369 N GLY A 22 -0.848 -4.835 2.123 1.00 0.00 N ATOM 370 CA GLY A 22 -0.178 -4.127 3.253 1.00 0.00 C ATOM 371 C GLY A 22 -1.056 -2.966 3.722 1.00 0.00 C ATOM 372 O GLY A 22 -2.062 -2.654 3.113 1.00 0.00 O ATOM 0 H GLY A 22 -0.752 -4.383 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.002 -4.819 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.796 -3.755 2.936 1.00 0.00 H new ATOM 376 N THR A 23 -0.664 -2.306 4.782 1.00 0.00 N ATOM 377 CA THR A 23 -1.453 -1.138 5.279 1.00 0.00 C ATOM 378 C THR A 23 -0.749 0.170 4.908 1.00 0.00 C ATOM 379 O THR A 23 0.463 0.233 4.835 1.00 0.00 O ATOM 380 CB THR A 23 -1.501 -1.310 6.798 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.839 -2.654 7.110 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.551 -0.366 7.388 1.00 0.00 C ATOM 0 H THR A 23 0.170 -2.526 5.326 1.00 0.00 H new ATOM 0 HA THR A 23 -2.451 -1.097 4.843 1.00 0.00 H new ATOM 0 HB THR A 23 -0.525 -1.073 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.869 -2.766 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.584 -0.490 8.470 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.289 0.665 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.528 -0.600 6.966 1.00 0.00 H new ATOM 390 N VAL A 24 -1.503 1.222 4.708 1.00 0.00 N ATOM 391 CA VAL A 24 -0.885 2.542 4.379 1.00 0.00 C ATOM 392 C VAL A 24 -0.379 3.215 5.659 1.00 0.00 C ATOM 393 O VAL A 24 -1.119 3.400 6.607 1.00 0.00 O ATOM 394 CB VAL A 24 -2.012 3.365 3.743 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.485 4.749 3.355 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.522 2.652 2.487 1.00 0.00 C ATOM 0 H VAL A 24 -2.522 1.223 4.759 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.030 2.445 3.709 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.825 3.472 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.289 5.331 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.121 5.262 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.670 4.640 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.323 3.238 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.705 2.544 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.901 1.666 2.757 1.00 0.00 H new ATOM 406 N ALA A 25 0.871 3.602 5.681 1.00 0.00 N ATOM 407 CA ALA A 25 1.428 4.290 6.884 1.00 0.00 C ATOM 408 C ALA A 25 1.211 5.802 6.777 1.00 0.00 C ATOM 409 O ALA A 25 0.705 6.430 7.688 1.00 0.00 O ATOM 410 CB ALA A 25 2.921 3.960 6.873 1.00 0.00 C ATOM 0 H ALA A 25 1.532 3.471 4.915 1.00 0.00 H new ATOM 0 HA ALA A 25 0.946 3.965 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.404 4.431 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.055 2.880 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.369 4.334 5.953 1.00 0.00 H new ATOM 416 N SER A 26 1.572 6.384 5.661 1.00 0.00 N ATOM 417 CA SER A 26 1.367 7.852 5.474 1.00 0.00 C ATOM 418 C SER A 26 1.559 8.229 4.003 1.00 0.00 C ATOM 419 O SER A 26 1.760 7.378 3.157 1.00 0.00 O ATOM 420 CB SER A 26 2.438 8.513 6.341 1.00 0.00 C ATOM 421 OG SER A 26 3.723 8.107 5.892 1.00 0.00 O ATOM 0 H SER A 26 2.001 5.904 4.870 1.00 0.00 H new ATOM 0 HA SER A 26 0.362 8.169 5.754 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.347 9.598 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.300 8.233 7.385 1.00 0.00 H new ATOM 0 HG SER A 26 4.412 8.531 6.445 1.00 0.00 H new ATOM 427 N VAL A 27 1.521 9.502 3.700 1.00 0.00 N ATOM 428 CA VAL A 27 1.728 9.948 2.289 1.00 0.00 C ATOM 429 C VAL A 27 2.487 11.279 2.266 1.00 0.00 C ATOM 430 O VAL A 27 2.035 12.269 2.809 1.00 0.00 O ATOM 431 CB VAL A 27 0.318 10.119 1.711 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.408 10.569 0.251 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.430 8.784 1.780 1.00 0.00 C ATOM 0 H VAL A 27 1.355 10.253 4.370 1.00 0.00 H new ATOM 0 HA VAL A 27 2.316 9.235 1.711 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.217 10.871 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.596 10.689 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.938 11.520 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.946 9.819 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.432 8.907 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.110 8.034 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.501 8.460 2.818 1.00 0.00 H new ATOM 509 N LYS A 33 10.263 8.927 -5.455 1.00 0.00 N ATOM 510 CA LYS A 33 9.998 7.756 -6.347 1.00 0.00 C ATOM 511 C LYS A 33 8.713 7.036 -5.919 1.00 0.00 C ATOM 512 O LYS A 33 8.038 6.425 -6.726 1.00 0.00 O ATOM 513 CB LYS A 33 11.215 6.834 -6.189 1.00 0.00 C ATOM 514 CG LYS A 33 11.374 6.420 -4.722 1.00 0.00 C ATOM 515 CD LYS A 33 12.399 5.288 -4.620 1.00 0.00 C ATOM 516 CE LYS A 33 13.797 5.836 -4.919 1.00 0.00 C ATOM 517 NZ LYS A 33 14.477 4.757 -5.688 1.00 0.00 N ATOM 0 HA LYS A 33 9.858 8.060 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.094 5.949 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.115 7.345 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.698 7.273 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.415 6.094 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.374 4.850 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.150 4.493 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.744 6.759 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.336 6.065 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.442 5.059 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.519 3.893 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.945 4.565 -6.561 1.00 0.00 H new ATOM 531 N TYR A 34 8.357 7.134 -4.661 1.00 0.00 N ATOM 532 CA TYR A 34 7.098 6.489 -4.183 1.00 0.00 C ATOM 533 C TYR A 34 6.389 7.400 -3.166 1.00 0.00 C ATOM 534 O TYR A 34 6.692 7.352 -1.990 1.00 0.00 O ATOM 535 CB TYR A 34 7.548 5.188 -3.517 1.00 0.00 C ATOM 536 CG TYR A 34 8.163 4.275 -4.552 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.449 3.942 -5.710 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.449 3.760 -4.351 1.00 0.00 C ATOM 539 CE1 TYR A 34 8.022 3.096 -6.666 1.00 0.00 C ATOM 540 CE2 TYR A 34 10.022 2.914 -5.308 1.00 0.00 C ATOM 541 CZ TYR A 34 9.308 2.581 -6.466 1.00 0.00 C ATOM 542 OH TYR A 34 9.872 1.746 -7.409 1.00 0.00 O ATOM 0 H TYR A 34 8.885 7.633 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 34 6.392 6.308 -4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.271 5.402 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.698 4.697 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.456 4.338 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.999 4.015 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.471 2.840 -7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.015 2.518 -5.153 1.00 0.00 H new ATOM 0 HH TYR A 34 10.835 1.671 -7.245 1.00 0.00 H new ATOM 552 N PRO A 35 5.464 8.208 -3.647 1.00 0.00 N ATOM 553 CA PRO A 35 4.716 9.134 -2.748 1.00 0.00 C ATOM 554 C PRO A 35 4.093 8.376 -1.567 1.00 0.00 C ATOM 555 O PRO A 35 4.046 8.877 -0.459 1.00 0.00 O ATOM 556 CB PRO A 35 3.626 9.708 -3.650 1.00 0.00 C ATOM 557 CG PRO A 35 4.165 9.578 -5.036 1.00 0.00 C ATOM 558 CD PRO A 35 5.028 8.345 -5.049 1.00 0.00 C ATOM 0 HA PRO A 35 5.356 9.899 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.691 9.160 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.417 10.749 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.355 9.491 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.745 10.459 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.470 7.470 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.877 8.458 -5.723 1.00 0.00 H new ATOM 566 N VAL A 36 3.493 7.242 -1.831 1.00 0.00 N ATOM 567 CA VAL A 36 2.730 6.528 -0.760 1.00 0.00 C ATOM 568 C VAL A 36 3.652 5.562 -0.010 1.00 0.00 C ATOM 569 O VAL A 36 4.292 4.714 -0.605 1.00 0.00 O ATOM 570 CB VAL A 36 1.625 5.763 -1.498 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.763 5.000 -0.489 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.741 6.751 -2.267 1.00 0.00 C ATOM 0 H VAL A 36 3.498 6.780 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 36 2.320 7.213 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 36 2.082 5.060 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.021 4.458 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.385 4.294 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.310 5.704 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.044 6.205 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.289 7.455 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.348 7.296 -2.990 1.00 0.00 H new ATOM 582 N ILE A 37 3.666 5.638 1.296 1.00 0.00 N ATOM 583 CA ILE A 37 4.477 4.677 2.101 1.00 0.00 C ATOM 584 C ILE A 37 3.581 3.550 2.627 1.00 0.00 C ATOM 585 O ILE A 37 2.455 3.780 3.030 1.00 0.00 O ATOM 586 CB ILE A 37 5.047 5.504 3.259 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.919 6.637 2.703 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.899 4.610 4.165 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.754 7.884 3.572 1.00 0.00 C ATOM 0 H ILE A 37 3.148 6.327 1.841 1.00 0.00 H new ATOM 0 HA ILE A 37 5.268 4.208 1.516 1.00 0.00 H new ATOM 0 HB ILE A 37 4.223 5.925 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.965 6.330 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.634 6.858 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.302 5.203 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.282 3.806 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.720 4.184 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.374 8.688 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.709 8.195 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.061 7.659 4.593 1.00 0.00 H new ATOM 601 N VAL A 38 4.078 2.339 2.634 1.00 0.00 N ATOM 602 CA VAL A 38 3.265 1.193 3.144 1.00 0.00 C ATOM 603 C VAL A 38 4.011 0.485 4.278 1.00 0.00 C ATOM 604 O VAL A 38 5.227 0.422 4.288 1.00 0.00 O ATOM 605 CB VAL A 38 3.092 0.257 1.942 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.252 -0.956 2.349 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.382 1.001 0.807 1.00 0.00 C ATOM 0 H VAL A 38 5.013 2.094 2.308 1.00 0.00 H new ATOM 0 HA VAL A 38 2.304 1.514 3.546 1.00 0.00 H new ATOM 0 HB VAL A 38 4.074 -0.075 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.131 -1.619 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.754 -1.492 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.272 -0.622 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.261 0.333 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.402 1.336 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.977 1.864 0.510 1.00 0.00 H new ATOM 617 N ARG A 39 3.288 -0.105 5.197 1.00 0.00 N ATOM 618 CA ARG A 39 3.945 -0.880 6.293 1.00 0.00 C ATOM 619 C ARG A 39 3.644 -2.373 6.136 1.00 0.00 C ATOM 620 O ARG A 39 2.566 -2.756 5.724 1.00 0.00 O ATOM 621 CB ARG A 39 3.327 -0.340 7.584 1.00 0.00 C ATOM 622 CG ARG A 39 3.987 -1.014 8.788 1.00 0.00 C ATOM 623 CD ARG A 39 3.161 -2.231 9.211 1.00 0.00 C ATOM 624 NE ARG A 39 2.279 -1.737 10.315 1.00 0.00 N ATOM 625 CZ ARG A 39 1.171 -2.371 10.644 1.00 0.00 C ATOM 626 NH1 ARG A 39 0.812 -3.486 10.050 1.00 0.00 N ATOM 627 NH2 ARG A 39 0.411 -1.878 11.585 1.00 0.00 N ATOM 0 H ARG A 39 2.269 -0.083 5.235 1.00 0.00 H new ATOM 0 HA ARG A 39 5.030 -0.772 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.462 0.740 7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.253 -0.528 7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.002 -1.321 8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.064 -0.309 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.573 -2.617 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.802 -3.044 9.552 1.00 0.00 H new ATOM 0 HE ARG A 39 2.541 -0.892 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.396 -3.883 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.051 -3.955 10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.678 -1.013 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.449 -2.358 11.850 1.00 0.00 H new ATOM 641 N PHE A 40 4.591 -3.214 6.467 1.00 0.00 N ATOM 642 CA PHE A 40 4.368 -4.686 6.345 1.00 0.00 C ATOM 643 C PHE A 40 4.627 -5.374 7.688 1.00 0.00 C ATOM 644 O PHE A 40 5.159 -4.778 8.606 1.00 0.00 O ATOM 645 CB PHE A 40 5.380 -5.155 5.299 1.00 0.00 C ATOM 646 CG PHE A 40 5.076 -4.500 3.972 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.806 -4.635 3.399 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.065 -3.757 3.316 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.525 -4.028 2.169 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.784 -3.151 2.086 1.00 0.00 C ATOM 651 CZ PHE A 40 4.514 -3.286 1.513 1.00 0.00 C ATOM 0 H PHE A 40 5.510 -2.944 6.817 1.00 0.00 H new ATOM 0 HA PHE A 40 3.344 -4.926 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.391 -4.902 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.339 -6.240 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.043 -5.207 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.044 -3.652 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.545 -4.132 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.547 -2.579 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.297 -2.817 0.564 1.00 0.00 H new ATOM 661 N GLU A 41 4.313 -6.641 7.783 1.00 0.00 N ATOM 662 CA GLU A 41 4.604 -7.398 9.038 1.00 0.00 C ATOM 663 C GLU A 41 5.740 -8.397 8.801 1.00 0.00 C ATOM 664 O GLU A 41 6.495 -8.714 9.700 1.00 0.00 O ATOM 665 CB GLU A 41 3.304 -8.131 9.369 1.00 0.00 C ATOM 666 CG GLU A 41 2.365 -7.191 10.128 1.00 0.00 C ATOM 667 CD GLU A 41 1.056 -7.919 10.439 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.467 -8.457 9.515 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.664 -7.924 11.594 1.00 0.00 O ATOM 0 H GLU A 41 3.867 -7.185 7.044 1.00 0.00 H new ATOM 0 HA GLU A 41 4.921 -6.745 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.826 -8.477 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.516 -9.014 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.836 -6.857 11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.165 -6.300 9.532 1.00 0.00 H new ATOM 676 N LYS A 42 5.875 -8.877 7.590 1.00 0.00 N ATOM 677 CA LYS A 42 6.974 -9.838 7.278 1.00 0.00 C ATOM 678 C LYS A 42 8.199 -9.087 6.750 1.00 0.00 C ATOM 679 O LYS A 42 8.119 -7.925 6.396 1.00 0.00 O ATOM 680 CB LYS A 42 6.402 -10.756 6.197 1.00 0.00 C ATOM 681 CG LYS A 42 7.248 -12.028 6.107 1.00 0.00 C ATOM 682 CD LYS A 42 6.519 -13.067 5.251 1.00 0.00 C ATOM 683 CE LYS A 42 5.344 -13.647 6.042 1.00 0.00 C ATOM 684 NZ LYS A 42 5.869 -14.910 6.635 1.00 0.00 N ATOM 0 H LYS A 42 5.269 -8.643 6.803 1.00 0.00 H new ATOM 0 HA LYS A 42 7.297 -10.395 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.368 -11.010 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.395 -10.243 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.221 -11.800 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.431 -12.427 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.160 -12.608 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.206 -13.863 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.009 -12.956 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.488 -13.840 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.121 -15.368 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.174 -15.550 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.678 -14.694 7.251 1.00 0.00 H new ATOM 698 N VAL A 43 9.316 -9.761 6.639 1.00 0.00 N ATOM 699 CA VAL A 43 10.536 -9.113 6.069 1.00 0.00 C ATOM 700 C VAL A 43 10.903 -9.760 4.728 1.00 0.00 C ATOM 701 O VAL A 43 10.162 -10.564 4.197 1.00 0.00 O ATOM 702 CB VAL A 43 11.641 -9.345 7.106 1.00 0.00 C ATOM 703 CG1 VAL A 43 11.253 -8.671 8.423 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.828 -10.849 7.344 1.00 0.00 C ATOM 0 H VAL A 43 9.436 -10.734 6.919 1.00 0.00 H new ATOM 0 HA VAL A 43 10.384 -8.051 5.876 1.00 0.00 H new ATOM 0 HB VAL A 43 12.574 -8.920 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.038 -8.835 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.126 -7.601 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.318 -9.096 8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.615 -11.006 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.896 -11.278 7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.107 -11.334 6.408 1.00 0.00 H new ATOM 714 N ASN A 44 12.055 -9.435 4.200 1.00 0.00 N ATOM 715 CA ASN A 44 12.496 -10.053 2.912 1.00 0.00 C ATOM 716 C ASN A 44 13.885 -10.679 3.071 1.00 0.00 C ATOM 717 O ASN A 44 14.357 -10.891 4.174 1.00 0.00 O ATOM 718 CB ASN A 44 12.530 -8.899 1.902 1.00 0.00 C ATOM 719 CG ASN A 44 13.491 -7.806 2.383 1.00 0.00 C ATOM 720 OD1 ASN A 44 14.660 -7.819 2.051 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.044 -6.856 3.157 1.00 0.00 N ATOM 0 H ASN A 44 12.711 -8.767 4.605 1.00 0.00 H new ATOM 0 HA ASN A 44 11.828 -10.851 2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.846 -9.268 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.529 -8.485 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.676 -6.124 3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.063 -6.845 3.436 1.00 0.00 H new ATOM 728 N TYR A 45 14.538 -10.983 1.978 1.00 0.00 N ATOM 729 CA TYR A 45 15.895 -11.605 2.057 1.00 0.00 C ATOM 730 C TYR A 45 16.870 -10.663 2.768 1.00 0.00 C ATOM 731 O TYR A 45 17.818 -11.097 3.395 1.00 0.00 O ATOM 732 CB TYR A 45 16.326 -11.823 0.605 1.00 0.00 C ATOM 733 CG TYR A 45 15.370 -12.778 -0.068 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.247 -14.092 0.401 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.606 -12.352 -1.161 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.361 -14.978 -0.222 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.719 -13.238 -1.784 1.00 0.00 C ATOM 738 CZ TYR A 45 13.597 -14.551 -1.314 1.00 0.00 C ATOM 739 OH TYR A 45 12.722 -15.424 -1.929 1.00 0.00 O ATOM 0 H TYR A 45 14.189 -10.827 1.032 1.00 0.00 H new ATOM 0 HA TYR A 45 15.884 -12.538 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.341 -10.872 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.339 -12.223 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.836 -14.422 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.701 -11.339 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.267 -15.991 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.129 -12.909 -2.627 1.00 0.00 H new ATOM 0 HH TYR A 45 12.270 -14.967 -2.669 1.00 0.00 H new ATOM 749 N SER A 46 16.639 -9.378 2.676 1.00 0.00 N ATOM 750 CA SER A 46 17.547 -8.398 3.345 1.00 0.00 C ATOM 751 C SER A 46 17.160 -8.236 4.818 1.00 0.00 C ATOM 752 O SER A 46 17.924 -8.560 5.707 1.00 0.00 O ATOM 753 CB SER A 46 17.342 -7.086 2.589 1.00 0.00 C ATOM 754 OG SER A 46 17.344 -7.344 1.191 1.00 0.00 O ATOM 0 H SER A 46 15.859 -8.965 2.165 1.00 0.00 H new ATOM 0 HA SER A 46 18.588 -8.721 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.399 -6.626 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.133 -6.380 2.841 1.00 0.00 H new ATOM 0 HG SER A 46 16.435 -7.564 0.898 1.00 0.00 H new ATOM 760 N GLY A 47 15.968 -7.761 5.076 1.00 0.00 N ATOM 761 CA GLY A 47 15.509 -7.603 6.489 1.00 0.00 C ATOM 762 C GLY A 47 14.934 -6.200 6.687 1.00 0.00 C ATOM 763 O GLY A 47 15.458 -5.408 7.447 1.00 0.00 O ATOM 0 H GLY A 47 15.292 -7.475 4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.753 -8.353 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.342 -7.766 7.173 1.00 0.00 H new ATOM 767 N ILE A 55 13.835 -5.905 6.040 1.00 0.00 N ATOM 768 CA ILE A 55 13.186 -4.571 6.223 1.00 0.00 C ATOM 769 C ILE A 55 11.735 -4.756 6.680 1.00 0.00 C ATOM 770 O ILE A 55 11.155 -5.814 6.521 1.00 0.00 O ATOM 771 CB ILE A 55 13.240 -3.906 4.842 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.700 -3.754 4.401 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.588 -2.522 4.908 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.798 -3.943 2.886 1.00 0.00 C ATOM 0 H ILE A 55 13.358 -6.532 5.392 1.00 0.00 H new ATOM 0 HA ILE A 55 13.685 -3.966 6.980 1.00 0.00 H new ATOM 0 HB ILE A 55 12.703 -4.528 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.075 -2.769 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.323 -4.489 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.629 -2.053 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.548 -2.624 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.122 -1.902 5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.836 -3.835 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.440 -4.937 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.188 -3.191 2.385 1.00 0.00 H new ATOM 786 N ASN A 56 11.158 -3.743 7.276 1.00 0.00 N ATOM 787 CA ASN A 56 9.757 -3.862 7.781 1.00 0.00 C ATOM 788 C ASN A 56 8.830 -2.894 7.036 1.00 0.00 C ATOM 789 O ASN A 56 7.636 -3.112 6.948 1.00 0.00 O ATOM 790 CB ASN A 56 9.835 -3.507 9.271 1.00 0.00 C ATOM 791 CG ASN A 56 10.372 -2.081 9.453 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.952 -1.514 8.548 1.00 0.00 O ATOM 793 ND2 ASN A 56 10.200 -1.477 10.596 1.00 0.00 N ATOM 0 H ASN A 56 11.598 -2.837 7.435 1.00 0.00 H new ATOM 0 HA ASN A 56 9.350 -4.861 7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.847 -3.591 9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.483 -4.215 9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.552 -0.529 10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.713 -1.952 11.356 1.00 0.00 H new ATOM 800 N THR A 57 9.367 -1.814 6.522 1.00 0.00 N ATOM 801 CA THR A 57 8.516 -0.814 5.810 1.00 0.00 C ATOM 802 C THR A 57 9.221 -0.328 4.540 1.00 0.00 C ATOM 803 O THR A 57 10.433 -0.241 4.489 1.00 0.00 O ATOM 804 CB THR A 57 8.343 0.337 6.801 1.00 0.00 C ATOM 805 OG1 THR A 57 9.619 0.754 7.267 1.00 0.00 O ATOM 806 CG2 THR A 57 7.492 -0.128 7.984 1.00 0.00 C ATOM 0 H THR A 57 10.360 -1.583 6.566 1.00 0.00 H new ATOM 0 HA THR A 57 7.558 -1.233 5.501 1.00 0.00 H new ATOM 0 HB THR A 57 7.846 1.171 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.018 0.042 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.370 0.694 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.513 -0.447 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.986 -0.963 8.481 1.00 0.00 H new ATOM 814 N ASN A 58 8.463 0.053 3.542 1.00 0.00 N ATOM 815 CA ASN A 58 9.077 0.609 2.298 1.00 0.00 C ATOM 816 C ASN A 58 8.176 1.698 1.708 1.00 0.00 C ATOM 817 O ASN A 58 7.208 2.112 2.319 1.00 0.00 O ATOM 818 CB ASN A 58 9.180 -0.579 1.340 1.00 0.00 C ATOM 819 CG ASN A 58 10.617 -1.106 1.326 1.00 0.00 C ATOM 820 OD1 ASN A 58 11.353 -0.925 2.276 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.051 -1.755 0.280 1.00 0.00 N ATOM 0 H ASN A 58 7.444 0.003 3.536 1.00 0.00 H new ATOM 0 HA ASN A 58 10.049 1.066 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.496 -1.369 1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.884 -0.276 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.007 -2.110 0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.434 -1.907 -0.518 1.00 0.00 H new ATOM 828 N ASN A 59 8.481 2.152 0.519 1.00 0.00 N ATOM 829 CA ASN A 59 7.641 3.204 -0.127 1.00 0.00 C ATOM 830 C ASN A 59 7.152 2.723 -1.497 1.00 0.00 C ATOM 831 O ASN A 59 7.914 2.198 -2.286 1.00 0.00 O ATOM 832 CB ASN A 59 8.565 4.412 -0.281 1.00 0.00 C ATOM 833 CG ASN A 59 9.019 4.890 1.100 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.480 4.105 1.905 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.906 6.152 1.409 1.00 0.00 N ATOM 0 H ASN A 59 9.279 1.838 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 59 6.755 3.443 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.431 4.146 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.046 5.216 -0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.205 6.481 2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.519 6.810 0.733 1.00 0.00 H new ATOM 842 N PHE A 60 5.888 2.908 -1.783 1.00 0.00 N ATOM 843 CA PHE A 60 5.342 2.474 -3.104 1.00 0.00 C ATOM 844 C PHE A 60 4.551 3.615 -3.752 1.00 0.00 C ATOM 845 O PHE A 60 4.052 4.496 -3.075 1.00 0.00 O ATOM 846 CB PHE A 60 4.419 1.297 -2.786 1.00 0.00 C ATOM 847 CG PHE A 60 5.224 0.172 -2.180 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.611 0.235 -0.837 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.582 -0.933 -2.961 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.357 -0.807 -0.273 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.327 -1.976 -2.397 1.00 0.00 C ATOM 852 CZ PHE A 60 6.715 -1.913 -1.054 1.00 0.00 C ATOM 0 H PHE A 60 5.210 3.342 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 60 6.130 2.196 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.637 1.611 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.923 0.955 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.334 1.088 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.284 -0.981 -3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.656 -0.758 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.602 -2.829 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.290 -2.717 -0.620 1.00 0.00 H new ATOM 862 N ALA A 61 4.394 3.577 -5.049 1.00 0.00 N ATOM 863 CA ALA A 61 3.587 4.625 -5.744 1.00 0.00 C ATOM 864 C ALA A 61 2.095 4.297 -5.638 1.00 0.00 C ATOM 865 O ALA A 61 1.701 3.146 -5.655 1.00 0.00 O ATOM 866 CB ALA A 61 4.044 4.577 -7.202 1.00 0.00 C ATOM 0 H ALA A 61 4.791 2.863 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 61 3.728 5.613 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.495 5.321 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.111 4.791 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.852 3.585 -7.611 1.00 0.00 H new ATOM 872 N GLU A 62 1.264 5.304 -5.526 1.00 0.00 N ATOM 873 CA GLU A 62 -0.209 5.059 -5.415 1.00 0.00 C ATOM 874 C GLU A 62 -0.722 4.305 -6.649 1.00 0.00 C ATOM 875 O GLU A 62 -1.673 3.552 -6.571 1.00 0.00 O ATOM 876 CB GLU A 62 -0.849 6.451 -5.323 1.00 0.00 C ATOM 877 CG GLU A 62 -0.494 7.278 -6.563 1.00 0.00 C ATOM 878 CD GLU A 62 -1.366 8.533 -6.606 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.571 8.400 -6.462 1.00 0.00 O ATOM 880 OE2 GLU A 62 -0.816 9.608 -6.783 1.00 0.00 O ATOM 0 H GLU A 62 1.541 6.285 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.455 4.446 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.932 6.357 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.501 6.961 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.560 7.555 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.647 6.685 -7.465 1.00 0.00 H new ATOM 887 N ASP A 63 -0.053 4.451 -7.766 1.00 0.00 N ATOM 888 CA ASP A 63 -0.450 3.683 -8.987 1.00 0.00 C ATOM 889 C ASP A 63 -0.165 2.188 -8.797 1.00 0.00 C ATOM 890 O ASP A 63 -0.775 1.350 -9.435 1.00 0.00 O ATOM 891 CB ASP A 63 0.405 4.258 -10.125 1.00 0.00 C ATOM 892 CG ASP A 63 1.893 4.100 -9.796 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.369 2.977 -9.820 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.529 5.105 -9.527 1.00 0.00 O ATOM 0 H ASP A 63 0.750 5.068 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.516 3.775 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.174 3.745 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.167 5.311 -10.273 1.00 0.00 H new ATOM 899 N GLU A 64 0.760 1.850 -7.932 1.00 0.00 N ATOM 900 CA GLU A 64 1.092 0.411 -7.706 1.00 0.00 C ATOM 901 C GLU A 64 0.330 -0.129 -6.492 1.00 0.00 C ATOM 902 O GLU A 64 0.749 -1.084 -5.864 1.00 0.00 O ATOM 903 CB GLU A 64 2.599 0.391 -7.443 1.00 0.00 C ATOM 904 CG GLU A 64 3.350 0.314 -8.774 1.00 0.00 C ATOM 905 CD GLU A 64 4.693 1.035 -8.645 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.747 2.025 -7.934 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.645 0.587 -9.261 1.00 0.00 O ATOM 0 H GLU A 64 1.300 2.511 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 64 0.815 -0.213 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.895 1.287 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.858 -0.463 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.510 -0.727 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.755 0.769 -9.566 1.00 0.00 H new ATOM 914 N LEU A 65 -0.810 0.440 -6.191 1.00 0.00 N ATOM 915 CA LEU A 65 -1.634 -0.074 -5.056 1.00 0.00 C ATOM 916 C LEU A 65 -3.116 -0.079 -5.438 1.00 0.00 C ATOM 917 O LEU A 65 -3.662 0.930 -5.845 1.00 0.00 O ATOM 918 CB LEU A 65 -1.380 0.902 -3.906 1.00 0.00 C ATOM 919 CG LEU A 65 0.061 0.754 -3.413 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.350 1.820 -2.355 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.253 -0.635 -2.800 1.00 0.00 C ATOM 0 H LEU A 65 -1.206 1.240 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.372 -1.097 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.558 1.925 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.076 0.707 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 65 0.745 0.878 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.376 1.715 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.215 2.810 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.335 1.696 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.280 -0.739 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.432 -0.760 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.048 -1.396 -3.553 1.00 0.00 H new ATOM 933 N VAL A 66 -3.791 -1.176 -5.206 1.00 0.00 N ATOM 934 CA VAL A 66 -5.267 -1.217 -5.439 1.00 0.00 C ATOM 935 C VAL A 66 -6.005 -1.303 -4.099 1.00 0.00 C ATOM 936 O VAL A 66 -5.580 -1.992 -3.191 1.00 0.00 O ATOM 937 CB VAL A 66 -5.509 -2.480 -6.273 1.00 0.00 C ATOM 938 CG1 VAL A 66 -7.001 -2.617 -6.583 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.729 -2.384 -7.588 1.00 0.00 C ATOM 0 H VAL A 66 -3.383 -2.046 -4.865 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.631 -0.325 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.173 -3.350 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.168 -3.516 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.561 -2.688 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.338 -1.745 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.902 -3.283 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.065 -1.511 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.664 -2.290 -7.374 1.00 0.00 H new ATOM 949 N GLU A 67 -7.092 -0.587 -3.965 1.00 0.00 N ATOM 950 CA GLU A 67 -7.850 -0.600 -2.676 1.00 0.00 C ATOM 951 C GLU A 67 -8.708 -1.865 -2.579 1.00 0.00 C ATOM 952 O GLU A 67 -9.694 -2.010 -3.276 1.00 0.00 O ATOM 953 CB GLU A 67 -8.735 0.646 -2.719 1.00 0.00 C ATOM 954 CG GLU A 67 -7.936 1.858 -2.232 1.00 0.00 C ATOM 955 CD GLU A 67 -8.789 3.120 -2.366 1.00 0.00 C ATOM 956 OE1 GLU A 67 -9.638 3.330 -1.516 1.00 0.00 O ATOM 957 OE2 GLU A 67 -8.581 3.854 -3.318 1.00 0.00 O ATOM 0 H GLU A 67 -7.488 0.007 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.188 -0.598 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.092 0.817 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.615 0.502 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.638 1.717 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.021 1.961 -2.815 1.00 0.00 H new ATOM 964 N VAL A 68 -8.361 -2.760 -1.690 1.00 0.00 N ATOM 965 CA VAL A 68 -9.176 -3.998 -1.505 1.00 0.00 C ATOM 966 C VAL A 68 -9.873 -3.983 -0.140 1.00 0.00 C ATOM 967 O VAL A 68 -10.921 -4.573 0.037 1.00 0.00 O ATOM 968 CB VAL A 68 -8.178 -5.159 -1.594 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.522 -5.160 -2.976 1.00 0.00 C ATOM 970 CG2 VAL A 68 -7.096 -5.006 -0.520 1.00 0.00 C ATOM 0 H VAL A 68 -7.545 -2.686 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.962 -4.084 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.709 -6.098 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.812 -5.985 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.288 -5.279 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.998 -4.217 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.392 -5.835 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.565 -4.066 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.560 -5.008 0.466 1.00 0.00 H new