USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 269 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 159:sc=-0.00201 (180deg=-0.737) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0494 K(o=-0.049,f=-7.5!) USER MOD Single : A 31 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-1.4) USER MOD Single : A 33 THR OG1 : rot -36:sc= 0.0313 USER MOD Single : A 34 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.56) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.525 K(o=0.53,f=-0.0022) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N LYS A 10 -6.880 -1.841 3.193 1.00 0.00 N ATOM 129 CA LYS A 10 -6.902 -3.206 3.729 1.00 0.00 C ATOM 130 C LYS A 10 -5.924 -4.006 2.892 1.00 0.00 C ATOM 131 O LYS A 10 -6.275 -4.987 2.236 1.00 0.00 O ATOM 132 CB LYS A 10 -8.307 -3.813 3.686 1.00 0.00 C ATOM 133 CG LYS A 10 -9.352 -3.052 4.518 1.00 0.00 C ATOM 134 CD LYS A 10 -10.782 -3.513 4.209 1.00 0.00 C ATOM 135 CE LYS A 10 -11.064 -3.212 2.734 1.00 0.00 C ATOM 136 NZ LYS A 10 -12.490 -3.338 2.386 1.00 0.00 N ATOM 0 HA LYS A 10 -6.616 -3.213 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.642 -3.850 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.256 -4.842 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.146 -3.197 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.265 -1.984 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.891 -4.579 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.497 -2.994 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.727 -2.201 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.482 -3.892 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.621 -3.123 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.810 -4.309 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.047 -2.671 2.957 1.00 0.00 H new ATOM 150 N LEU A 11 -4.682 -3.543 2.920 1.00 0.00 N ATOM 151 CA LEU A 11 -3.585 -4.132 2.177 1.00 0.00 C ATOM 152 C LEU A 11 -3.481 -5.645 2.401 1.00 0.00 C ATOM 153 O LEU A 11 -3.803 -6.119 3.495 1.00 0.00 O ATOM 154 CB LEU A 11 -2.263 -3.409 2.511 1.00 0.00 C ATOM 155 CG LEU A 11 -2.063 -2.095 1.737 1.00 0.00 C ATOM 156 CD1 LEU A 11 -1.881 -2.332 0.234 1.00 0.00 C ATOM 157 CD2 LEU A 11 -3.210 -1.108 1.984 1.00 0.00 C ATOM 0 H LEU A 11 -4.407 -2.731 3.472 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.789 -3.996 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.235 -3.198 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.429 -4.077 2.296 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.143 -1.653 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.743 -1.376 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.005 -2.960 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.765 -2.829 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.031 -0.193 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.150 -1.555 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.266 -0.873 3.047 1.00 0.00 H new ATOM 169 N PRO A 12 -3.030 -6.384 1.376 1.00 0.00 N ATOM 170 CA PRO A 12 -2.897 -7.828 1.428 1.00 0.00 C ATOM 171 C PRO A 12 -1.842 -8.306 2.427 1.00 0.00 C ATOM 172 O PRO A 12 -1.019 -7.513 2.900 1.00 0.00 O ATOM 173 CB PRO A 12 -2.494 -8.264 0.017 1.00 0.00 C ATOM 174 CG PRO A 12 -2.016 -7.011 -0.697 1.00 0.00 C ATOM 175 CD PRO A 12 -2.634 -5.861 0.078 1.00 0.00 C ATOM 0 HA PRO A 12 -3.839 -8.263 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.705 -9.016 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.338 -8.712 -0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.928 -6.947 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.337 -7.003 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.919 -5.046 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.496 -5.457 -0.454 1.00 0.00 H new ATOM 183 N PRO A 13 -1.816 -9.623 2.701 1.00 0.00 N ATOM 184 CA PRO A 13 -0.858 -10.216 3.606 1.00 0.00 C ATOM 185 C PRO A 13 0.552 -9.945 3.082 1.00 0.00 C ATOM 186 O PRO A 13 0.868 -10.208 1.922 1.00 0.00 O ATOM 187 CB PRO A 13 -1.197 -11.709 3.677 1.00 0.00 C ATOM 188 CG PRO A 13 -2.003 -11.967 2.405 1.00 0.00 C ATOM 189 CD PRO A 13 -2.725 -10.644 2.197 1.00 0.00 C ATOM 0 HA PRO A 13 -0.900 -9.795 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.296 -12.322 3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.775 -11.945 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.360 -12.215 1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.701 -12.795 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.952 -10.482 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.673 -10.625 2.734 1.00 0.00 H new ATOM 197 N GLY A 14 1.378 -9.411 3.970 1.00 0.00 N ATOM 198 CA GLY A 14 2.772 -9.073 3.735 1.00 0.00 C ATOM 199 C GLY A 14 2.995 -7.604 3.418 1.00 0.00 C ATOM 200 O GLY A 14 4.076 -7.078 3.682 1.00 0.00 O ATOM 0 H GLY A 14 1.078 -9.191 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.355 -9.339 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.149 -9.676 2.909 1.00 0.00 H new ATOM 204 N TRP A 15 1.998 -6.921 2.863 1.00 0.00 N ATOM 205 CA TRP A 15 2.119 -5.524 2.502 1.00 0.00 C ATOM 206 C TRP A 15 1.663 -4.620 3.640 1.00 0.00 C ATOM 207 O TRP A 15 0.741 -4.931 4.396 1.00 0.00 O ATOM 208 CB TRP A 15 1.310 -5.279 1.238 1.00 0.00 C ATOM 209 CG TRP A 15 1.865 -5.978 0.039 1.00 0.00 C ATOM 210 CD1 TRP A 15 1.662 -7.261 -0.345 1.00 0.00 C ATOM 211 CD2 TRP A 15 2.781 -5.415 -0.931 1.00 0.00 C ATOM 212 NE1 TRP A 15 2.318 -7.495 -1.540 1.00 0.00 N ATOM 213 CE2 TRP A 15 3.020 -6.378 -1.953 1.00 0.00 C ATOM 214 CE3 TRP A 15 3.406 -4.158 -1.041 1.00 0.00 C ATOM 215 CZ2 TRP A 15 3.810 -6.071 -3.072 1.00 0.00 C ATOM 216 CZ3 TRP A 15 4.204 -3.849 -2.153 1.00 0.00 C ATOM 217 CH2 TRP A 15 4.405 -4.802 -3.167 1.00 0.00 C ATOM 0 H TRP A 15 1.086 -7.326 2.653 1.00 0.00 H new ATOM 0 HA TRP A 15 3.165 -5.284 2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.284 -5.610 1.401 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.272 -4.208 1.041 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.078 -7.989 0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.288 -8.378 -2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.270 -3.424 -0.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 3.959 -6.803 -3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 4.665 -2.876 -2.230 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.019 -4.558 -4.021 1.00 0.00 H new ATOM 228 N GLU A 16 2.258 -3.434 3.678 1.00 0.00 N ATOM 229 CA GLU A 16 2.037 -2.392 4.655 1.00 0.00 C ATOM 230 C GLU A 16 2.066 -1.036 3.966 1.00 0.00 C ATOM 231 O GLU A 16 3.028 -0.710 3.270 1.00 0.00 O ATOM 232 CB GLU A 16 3.188 -2.429 5.674 1.00 0.00 C ATOM 233 CG GLU A 16 3.112 -3.595 6.674 1.00 0.00 C ATOM 234 CD GLU A 16 3.016 -3.087 8.115 1.00 0.00 C ATOM 235 OE1 GLU A 16 4.017 -2.515 8.608 1.00 0.00 O ATOM 236 OE2 GLU A 16 1.938 -3.195 8.738 1.00 0.00 O ATOM 0 H GLU A 16 2.951 -3.164 2.980 1.00 0.00 H new ATOM 0 HA GLU A 16 1.074 -2.545 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.133 -2.490 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.197 -1.491 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.245 -4.216 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.994 -4.227 6.567 1.00 0.00 H new ATOM 243 N LYS A 17 1.003 -0.250 4.104 1.00 0.00 N ATOM 244 CA LYS A 17 0.933 1.085 3.526 1.00 0.00 C ATOM 245 C LYS A 17 1.834 1.957 4.379 1.00 0.00 C ATOM 246 O LYS A 17 1.697 1.951 5.604 1.00 0.00 O ATOM 247 CB LYS A 17 -0.519 1.546 3.554 1.00 0.00 C ATOM 248 CG LYS A 17 -0.743 3.005 3.122 1.00 0.00 C ATOM 249 CD LYS A 17 -2.245 3.295 3.262 1.00 0.00 C ATOM 250 CE LYS A 17 -2.591 4.772 3.101 1.00 0.00 C ATOM 251 NZ LYS A 17 -4.052 4.986 3.112 1.00 0.00 N ATOM 0 H LYS A 17 0.166 -0.522 4.620 1.00 0.00 H new ATOM 0 HA LYS A 17 1.263 1.126 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.104 0.896 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.906 1.418 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.160 3.684 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.416 3.156 2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.791 2.718 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.584 2.954 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.131 5.345 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.174 5.145 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.255 6.000 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.486 4.458 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.445 4.651 4.015 1.00 0.00 H new ATOM 265 N ARG A 18 2.799 2.642 3.778 1.00 0.00 N ATOM 266 CA ARG A 18 3.731 3.511 4.487 1.00 0.00 C ATOM 267 C ARG A 18 3.831 4.837 3.758 1.00 0.00 C ATOM 268 O ARG A 18 3.221 5.033 2.710 1.00 0.00 O ATOM 269 CB ARG A 18 5.096 2.824 4.669 1.00 0.00 C ATOM 270 CG ARG A 18 4.984 1.473 5.396 1.00 0.00 C ATOM 271 CD ARG A 18 6.222 1.175 6.239 1.00 0.00 C ATOM 272 NE ARG A 18 6.076 -0.124 6.922 1.00 0.00 N ATOM 273 CZ ARG A 18 6.808 -1.230 6.753 1.00 0.00 C ATOM 274 NH1 ARG A 18 7.916 -1.237 6.021 1.00 0.00 N ATOM 275 NH2 ARG A 18 6.430 -2.360 7.321 1.00 0.00 N ATOM 0 H ARG A 18 2.959 2.609 2.771 1.00 0.00 H new ATOM 0 HA ARG A 18 3.359 3.710 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.555 2.670 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.758 3.482 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.102 1.477 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.843 0.678 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.108 1.162 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.368 1.966 6.975 1.00 0.00 H new ATOM 0 HE ARG A 18 5.324 -0.186 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.233 -0.380 5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.451 -2.099 5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.582 -2.388 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.986 -3.206 7.194 1.00 0.00 H new ATOM 289 N MET A 19 4.625 5.750 4.301 1.00 0.00 N ATOM 290 CA MET A 19 4.845 7.072 3.769 1.00 0.00 C ATOM 291 C MET A 19 6.353 7.304 3.746 1.00 0.00 C ATOM 292 O MET A 19 7.084 6.880 4.646 1.00 0.00 O ATOM 293 CB MET A 19 4.058 8.053 4.644 1.00 0.00 C ATOM 294 CG MET A 19 4.025 9.471 4.096 1.00 0.00 C ATOM 295 SD MET A 19 2.904 10.522 5.067 1.00 0.00 S ATOM 296 CE MET A 19 2.604 11.919 3.958 1.00 0.00 C ATOM 0 H MET A 19 5.150 5.575 5.158 1.00 0.00 H new ATOM 0 HA MET A 19 4.489 7.209 2.748 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.036 7.691 4.751 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.497 8.069 5.642 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.030 9.894 4.112 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.702 9.454 3.055 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.684 12.424 4.250 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.438 12.619 4.020 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.510 11.557 2.934 1.00 0.00 H new ATOM 306 N GLU A 20 6.837 7.913 2.670 1.00 0.00 N ATOM 307 CA GLU A 20 8.237 8.216 2.448 1.00 0.00 C ATOM 308 C GLU A 20 8.675 9.319 3.402 1.00 0.00 C ATOM 309 O GLU A 20 8.291 10.466 3.187 1.00 0.00 O ATOM 310 CB GLU A 20 8.469 8.657 0.998 1.00 0.00 C ATOM 311 CG GLU A 20 8.102 7.567 -0.014 1.00 0.00 C ATOM 312 CD GLU A 20 9.126 7.538 -1.134 1.00 0.00 C ATOM 313 OE1 GLU A 20 9.246 8.550 -1.864 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.840 6.510 -1.226 1.00 0.00 O ATOM 0 H GLU A 20 6.239 8.219 1.902 1.00 0.00 H new ATOM 0 HA GLU A 20 8.826 7.318 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.878 9.550 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.516 8.931 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.064 6.597 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.109 7.756 -0.422 1.00 0.00 H new ATOM 321 N ARG A 21 9.496 9.019 4.412 1.00 0.00 N ATOM 322 CA ARG A 21 9.945 10.036 5.367 1.00 0.00 C ATOM 323 C ARG A 21 10.667 11.206 4.696 1.00 0.00 C ATOM 324 O ARG A 21 10.583 12.330 5.192 1.00 0.00 O ATOM 325 CB ARG A 21 10.773 9.399 6.500 1.00 0.00 C ATOM 326 CG ARG A 21 12.206 8.989 6.105 1.00 0.00 C ATOM 327 CD ARG A 21 12.871 8.115 7.180 1.00 0.00 C ATOM 328 NE ARG A 21 12.245 6.783 7.269 1.00 0.00 N ATOM 329 CZ ARG A 21 12.422 5.754 6.432 1.00 0.00 C ATOM 330 NH1 ARG A 21 13.377 5.752 5.509 1.00 0.00 N ATOM 331 NH2 ARG A 21 11.622 4.706 6.520 1.00 0.00 N ATOM 0 H ARG A 21 9.862 8.084 4.589 1.00 0.00 H new ATOM 0 HA ARG A 21 9.053 10.471 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.828 10.103 7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.246 8.517 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.180 8.445 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.807 9.883 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.931 8.004 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.803 8.614 8.147 1.00 0.00 H new ATOM 0 HE ARG A 21 11.609 6.630 8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.004 6.552 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.484 4.950 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.880 4.688 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.746 3.915 5.888 1.00 0.00 H new ATOM 345 N SER A 22 11.327 10.949 3.562 1.00 0.00 N ATOM 346 CA SER A 22 12.079 11.927 2.788 1.00 0.00 C ATOM 347 C SER A 22 11.216 13.134 2.399 1.00 0.00 C ATOM 348 O SER A 22 11.572 14.262 2.751 1.00 0.00 O ATOM 349 CB SER A 22 12.665 11.211 1.564 1.00 0.00 C ATOM 350 OG SER A 22 13.414 12.074 0.737 1.00 0.00 O ATOM 0 H SER A 22 11.349 10.017 3.147 1.00 0.00 H new ATOM 0 HA SER A 22 12.889 12.335 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.301 10.391 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.855 10.770 0.983 1.00 0.00 H new ATOM 0 HG SER A 22 13.767 11.571 -0.026 1.00 0.00 H new ATOM 356 N SER A 23 10.067 12.923 1.747 1.00 0.00 N ATOM 357 CA SER A 23 9.194 14.015 1.309 1.00 0.00 C ATOM 358 C SER A 23 7.770 13.933 1.859 1.00 0.00 C ATOM 359 O SER A 23 7.163 14.971 2.127 1.00 0.00 O ATOM 360 CB SER A 23 9.159 14.044 -0.216 1.00 0.00 C ATOM 361 OG SER A 23 10.453 14.181 -0.767 1.00 0.00 O ATOM 0 H SER A 23 9.718 11.994 1.510 1.00 0.00 H new ATOM 0 HA SER A 23 9.617 14.935 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.701 13.127 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.532 14.871 -0.550 1.00 0.00 H new ATOM 0 HG SER A 23 10.392 14.194 -1.745 1.00 0.00 H new ATOM 367 N GLY A 24 7.224 12.733 2.038 1.00 0.00 N ATOM 368 CA GLY A 24 5.877 12.502 2.533 1.00 0.00 C ATOM 369 C GLY A 24 4.959 12.030 1.410 1.00 0.00 C ATOM 370 O GLY A 24 3.940 12.663 1.132 1.00 0.00 O ATOM 0 H GLY A 24 7.726 11.869 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.900 11.756 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.483 13.420 2.969 1.00 0.00 H new ATOM 374 N ARG A 25 5.306 10.934 0.727 1.00 0.00 N ATOM 375 CA ARG A 25 4.520 10.356 -0.361 1.00 0.00 C ATOM 376 C ARG A 25 4.084 8.996 0.145 1.00 0.00 C ATOM 377 O ARG A 25 4.899 8.300 0.743 1.00 0.00 O ATOM 378 CB ARG A 25 5.381 10.253 -1.622 1.00 0.00 C ATOM 379 CG ARG A 25 4.617 9.848 -2.889 1.00 0.00 C ATOM 380 CD ARG A 25 4.002 11.017 -3.660 1.00 0.00 C ATOM 381 NE ARG A 25 2.690 11.408 -3.140 1.00 0.00 N ATOM 382 CZ ARG A 25 2.027 12.521 -3.455 1.00 0.00 C ATOM 383 NH1 ARG A 25 2.512 13.377 -4.345 1.00 0.00 N ATOM 384 NH2 ARG A 25 0.872 12.765 -2.849 1.00 0.00 N ATOM 0 H ARG A 25 6.162 10.414 0.922 1.00 0.00 H new ATOM 0 HA ARG A 25 3.655 10.962 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.862 11.215 -1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.175 9.527 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.296 9.310 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.823 9.154 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.676 11.872 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.905 10.743 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 25 2.244 10.773 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.405 13.188 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.992 14.224 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.509 12.108 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.347 13.610 -3.074 1.00 0.00 H new ATOM 398 N VAL A 26 2.815 8.653 0.018 1.00 0.00 N ATOM 399 CA VAL A 26 2.305 7.369 0.490 1.00 0.00 C ATOM 400 C VAL A 26 2.646 6.308 -0.560 1.00 0.00 C ATOM 401 O VAL A 26 2.732 6.625 -1.749 1.00 0.00 O ATOM 402 CB VAL A 26 0.810 7.472 0.844 1.00 0.00 C ATOM 403 CG1 VAL A 26 0.346 6.254 1.650 1.00 0.00 C ATOM 404 CG2 VAL A 26 0.542 8.707 1.722 1.00 0.00 C ATOM 0 H VAL A 26 2.108 9.250 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 26 2.782 7.066 1.422 1.00 0.00 H new ATOM 0 HB VAL A 26 0.271 7.536 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.714 6.355 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.503 5.349 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.918 6.190 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.520 8.760 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.117 8.629 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.839 9.607 1.184 1.00 0.00 H new ATOM 414 N TYR A 27 2.907 5.078 -0.116 1.00 0.00 N ATOM 415 CA TYR A 27 3.266 3.931 -0.946 1.00 0.00 C ATOM 416 C TYR A 27 2.972 2.652 -0.153 1.00 0.00 C ATOM 417 O TYR A 27 2.493 2.712 0.981 1.00 0.00 O ATOM 418 CB TYR A 27 4.747 4.026 -1.365 1.00 0.00 C ATOM 419 CG TYR A 27 5.759 3.728 -0.273 1.00 0.00 C ATOM 420 CD1 TYR A 27 5.986 4.658 0.758 1.00 0.00 C ATOM 421 CD2 TYR A 27 6.478 2.521 -0.288 1.00 0.00 C ATOM 422 CE1 TYR A 27 6.906 4.376 1.779 1.00 0.00 C ATOM 423 CE2 TYR A 27 7.384 2.219 0.743 1.00 0.00 C ATOM 424 CZ TYR A 27 7.601 3.146 1.784 1.00 0.00 C ATOM 425 OH TYR A 27 8.480 2.854 2.780 1.00 0.00 O ATOM 0 H TYR A 27 2.872 4.845 0.876 1.00 0.00 H new ATOM 0 HA TYR A 27 2.677 3.917 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.917 3.336 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.935 5.030 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.449 5.595 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.333 1.821 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.083 5.099 2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.914 1.278 0.738 1.00 0.00 H new ATOM 0 HH TYR A 27 8.866 1.967 2.626 1.00 0.00 H new ATOM 435 N TYR A 28 3.251 1.482 -0.720 1.00 0.00 N ATOM 436 CA TYR A 28 3.045 0.185 -0.080 1.00 0.00 C ATOM 437 C TYR A 28 4.397 -0.517 0.022 1.00 0.00 C ATOM 438 O TYR A 28 5.219 -0.394 -0.885 1.00 0.00 O ATOM 439 CB TYR A 28 2.010 -0.625 -0.868 1.00 0.00 C ATOM 440 CG TYR A 28 0.703 0.119 -1.088 1.00 0.00 C ATOM 441 CD1 TYR A 28 -0.105 0.480 0.006 1.00 0.00 C ATOM 442 CD2 TYR A 28 0.304 0.477 -2.387 1.00 0.00 C ATOM 443 CE1 TYR A 28 -1.309 1.180 -0.193 1.00 0.00 C ATOM 444 CE2 TYR A 28 -0.911 1.149 -2.601 1.00 0.00 C ATOM 445 CZ TYR A 28 -1.727 1.499 -1.505 1.00 0.00 C ATOM 446 OH TYR A 28 -2.888 2.173 -1.714 1.00 0.00 O ATOM 0 H TYR A 28 3.637 1.407 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 28 2.645 0.299 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.432 -0.897 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.806 -1.555 -0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.202 0.217 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.937 0.234 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.912 1.473 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.220 1.398 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.019 2.308 -2.676 1.00 0.00 H new ATOM 456 N PHE A 29 4.625 -1.294 1.081 1.00 0.00 N ATOM 457 CA PHE A 29 5.876 -2.004 1.328 1.00 0.00 C ATOM 458 C PHE A 29 5.582 -3.440 1.715 1.00 0.00 C ATOM 459 O PHE A 29 4.795 -3.672 2.624 1.00 0.00 O ATOM 460 CB PHE A 29 6.650 -1.313 2.458 1.00 0.00 C ATOM 461 CG PHE A 29 7.999 -1.953 2.724 1.00 0.00 C ATOM 462 CD1 PHE A 29 8.090 -3.142 3.478 1.00 0.00 C ATOM 463 CD2 PHE A 29 9.167 -1.382 2.184 1.00 0.00 C ATOM 464 CE1 PHE A 29 9.338 -3.748 3.682 1.00 0.00 C ATOM 465 CE2 PHE A 29 10.412 -1.997 2.397 1.00 0.00 C ATOM 466 CZ PHE A 29 10.499 -3.172 3.152 1.00 0.00 C ATOM 0 H PHE A 29 3.926 -1.450 1.808 1.00 0.00 H new ATOM 0 HA PHE A 29 6.479 -1.993 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.795 -0.263 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.054 -1.341 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.199 -3.585 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.106 -0.472 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.404 -4.664 4.251 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.306 -1.561 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.460 -3.634 3.326 1.00 0.00 H new ATOM 476 N ASN A 30 6.195 -4.399 1.033 1.00 0.00 N ATOM 477 CA ASN A 30 6.030 -5.828 1.294 1.00 0.00 C ATOM 478 C ASN A 30 7.165 -6.354 2.167 1.00 0.00 C ATOM 479 O ASN A 30 8.292 -6.482 1.690 1.00 0.00 O ATOM 480 CB ASN A 30 6.007 -6.630 -0.006 1.00 0.00 C ATOM 481 CG ASN A 30 5.545 -8.066 0.239 1.00 0.00 C ATOM 482 OD1 ASN A 30 5.433 -8.508 1.376 1.00 0.00 O ATOM 483 ND2 ASN A 30 5.325 -8.843 -0.804 1.00 0.00 N ATOM 0 H ASN A 30 6.836 -4.203 0.264 1.00 0.00 H new ATOM 0 HA ASN A 30 5.078 -5.950 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.341 -6.148 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.002 -6.636 -0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.060 -9.818 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.420 -8.469 -1.748 1.00 0.00 H new ATOM 490 N HIS A 31 6.918 -6.662 3.439 1.00 0.00 N ATOM 491 CA HIS A 31 7.959 -7.178 4.328 1.00 0.00 C ATOM 492 C HIS A 31 8.383 -8.611 4.007 1.00 0.00 C ATOM 493 O HIS A 31 9.454 -9.041 4.444 1.00 0.00 O ATOM 494 CB HIS A 31 7.501 -7.074 5.784 1.00 0.00 C ATOM 495 CG HIS A 31 6.394 -8.016 6.181 1.00 0.00 C ATOM 496 ND1 HIS A 31 6.513 -9.349 6.506 1.00 0.00 N ATOM 497 CD2 HIS A 31 5.091 -7.663 6.375 1.00 0.00 C ATOM 498 CE1 HIS A 31 5.301 -9.793 6.879 1.00 0.00 C ATOM 499 NE2 HIS A 31 4.406 -8.794 6.838 1.00 0.00 N ATOM 0 H HIS A 31 6.003 -6.563 3.879 1.00 0.00 H new ATOM 0 HA HIS A 31 8.840 -6.557 4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.359 -7.255 6.431 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.171 -6.052 5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.664 -6.686 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.079 -10.809 7.170 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.420 -8.848 7.094 1.00 0.00 H new ATOM 507 N ILE A 32 7.571 -9.341 3.246 1.00 0.00 N ATOM 508 CA ILE A 32 7.840 -10.731 2.890 1.00 0.00 C ATOM 509 C ILE A 32 9.038 -10.813 1.955 1.00 0.00 C ATOM 510 O ILE A 32 9.859 -11.721 2.089 1.00 0.00 O ATOM 511 CB ILE A 32 6.580 -11.383 2.275 1.00 0.00 C ATOM 512 CG1 ILE A 32 5.469 -11.438 3.345 1.00 0.00 C ATOM 513 CG2 ILE A 32 6.903 -12.766 1.696 1.00 0.00 C ATOM 514 CD1 ILE A 32 4.176 -12.149 2.928 1.00 0.00 C ATOM 0 H ILE A 32 6.700 -8.981 2.856 1.00 0.00 H new ATOM 0 HA ILE A 32 8.089 -11.290 3.792 1.00 0.00 H new ATOM 0 HB ILE A 32 6.222 -10.780 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.867 -11.936 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.222 -10.418 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.999 -13.202 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.660 -12.667 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.280 -13.413 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.466 -12.128 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.743 -11.641 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.398 -13.184 2.666 1.00 0.00 H new ATOM 526 N THR A 33 9.139 -9.891 1.002 1.00 0.00 N ATOM 527 CA THR A 33 10.241 -9.890 0.043 1.00 0.00 C ATOM 528 C THR A 33 10.993 -8.552 0.052 1.00 0.00 C ATOM 529 O THR A 33 11.879 -8.329 -0.775 1.00 0.00 O ATOM 530 CB THR A 33 9.709 -10.448 -1.294 1.00 0.00 C ATOM 531 OG1 THR A 33 10.733 -10.794 -2.200 1.00 0.00 O ATOM 532 CG2 THR A 33 8.741 -9.510 -1.996 1.00 0.00 C ATOM 0 H THR A 33 8.469 -9.133 0.873 1.00 0.00 H new ATOM 0 HA THR A 33 11.051 -10.567 0.314 1.00 0.00 H new ATOM 0 HB THR A 33 9.175 -11.352 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.471 -10.155 -2.119 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.406 -9.964 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.881 -9.327 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.241 -8.566 -2.211 1.00 0.00 H new ATOM 540 N ASN A 34 10.718 -7.673 1.036 1.00 0.00 N ATOM 541 CA ASN A 34 11.354 -6.348 1.161 1.00 0.00 C ATOM 542 C ASN A 34 11.049 -5.508 -0.098 1.00 0.00 C ATOM 543 O ASN A 34 11.854 -4.682 -0.527 1.00 0.00 O ATOM 544 CB ASN A 34 12.854 -6.507 1.536 1.00 0.00 C ATOM 545 CG ASN A 34 13.615 -5.205 1.795 1.00 0.00 C ATOM 546 OD1 ASN A 34 14.179 -4.596 0.888 1.00 0.00 O ATOM 547 ND2 ASN A 34 13.698 -4.777 3.045 1.00 0.00 N ATOM 0 H ASN A 34 10.041 -7.866 1.774 1.00 0.00 H new ATOM 0 HA ASN A 34 10.932 -5.776 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.922 -7.130 2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.355 -7.046 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.233 -3.936 3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.227 -5.288 3.791 1.00 0.00 H new ATOM 554 N ALA A 35 9.939 -5.805 -0.780 1.00 0.00 N ATOM 555 CA ALA A 35 9.498 -5.111 -1.983 1.00 0.00 C ATOM 556 C ALA A 35 8.675 -3.896 -1.572 1.00 0.00 C ATOM 557 O ALA A 35 8.457 -3.635 -0.389 1.00 0.00 O ATOM 558 CB ALA A 35 8.708 -6.062 -2.898 1.00 0.00 C ATOM 0 H ALA A 35 9.309 -6.556 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 35 10.360 -4.770 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.387 -5.525 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.343 -6.900 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.833 -6.436 -2.366 1.00 0.00 H new ATOM 564 N SER A 36 8.224 -3.126 -2.548 1.00 0.00 N ATOM 565 CA SER A 36 7.427 -1.942 -2.374 1.00 0.00 C ATOM 566 C SER A 36 6.817 -1.549 -3.703 1.00 0.00 C ATOM 567 O SER A 36 7.410 -1.841 -4.747 1.00 0.00 O ATOM 568 CB SER A 36 8.351 -0.841 -1.893 1.00 0.00 C ATOM 569 OG SER A 36 9.240 -0.437 -2.916 1.00 0.00 O ATOM 0 H SER A 36 8.418 -3.327 -3.529 1.00 0.00 H new ATOM 0 HA SER A 36 6.625 -2.113 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.761 0.014 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.919 -1.190 -1.031 1.00 0.00 H new ATOM 0 HG SER A 36 9.823 0.275 -2.580 1.00 0.00 H new ATOM 575 N GLN A 37 5.665 -0.888 -3.674 1.00 0.00 N ATOM 576 CA GLN A 37 4.996 -0.440 -4.871 1.00 0.00 C ATOM 577 C GLN A 37 4.041 0.701 -4.537 1.00 0.00 C ATOM 578 O GLN A 37 3.642 0.871 -3.388 1.00 0.00 O ATOM 579 CB GLN A 37 4.183 -1.595 -5.484 1.00 0.00 C ATOM 580 CG GLN A 37 4.992 -2.575 -6.338 1.00 0.00 C ATOM 581 CD GLN A 37 4.037 -3.336 -7.238 1.00 0.00 C ATOM 582 OE1 GLN A 37 3.232 -4.146 -6.781 1.00 0.00 O ATOM 583 NE2 GLN A 37 4.054 -3.031 -8.519 1.00 0.00 N ATOM 0 H GLN A 37 5.174 -0.651 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 37 5.749 -0.099 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.704 -2.150 -4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.387 -1.173 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.728 -2.037 -6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.543 -3.266 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.732 -2.356 -8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.390 -3.470 -9.157 1.00 0.00 H new ATOM 592 N TRP A 38 3.625 1.455 -5.550 1.00 0.00 N ATOM 593 CA TRP A 38 2.689 2.569 -5.403 1.00 0.00 C ATOM 594 C TRP A 38 1.269 2.092 -5.695 1.00 0.00 C ATOM 595 O TRP A 38 0.307 2.633 -5.149 1.00 0.00 O ATOM 596 CB TRP A 38 3.067 3.704 -6.352 1.00 0.00 C ATOM 597 CG TRP A 38 4.500 4.098 -6.267 1.00 0.00 C ATOM 598 CD1 TRP A 38 5.485 3.562 -7.016 1.00 0.00 C ATOM 599 CD2 TRP A 38 5.141 5.042 -5.360 1.00 0.00 C ATOM 600 NE1 TRP A 38 6.688 4.108 -6.627 1.00 0.00 N ATOM 601 CE2 TRP A 38 6.534 5.064 -5.654 1.00 0.00 C ATOM 602 CE3 TRP A 38 4.696 5.867 -4.309 1.00 0.00 C ATOM 603 CZ2 TRP A 38 7.435 5.899 -4.979 1.00 0.00 C ATOM 604 CZ3 TRP A 38 5.602 6.668 -3.589 1.00 0.00 C ATOM 605 CH2 TRP A 38 6.961 6.710 -3.938 1.00 0.00 C ATOM 0 H TRP A 38 3.932 1.308 -6.511 1.00 0.00 H new ATOM 0 HA TRP A 38 2.737 2.940 -4.379 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.842 3.402 -7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.446 4.573 -6.132 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.352 2.825 -7.794 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.590 3.834 -7.017 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.647 5.885 -4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.479 5.917 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.247 7.258 -2.757 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.638 7.363 -3.408 1.00 0.00 H new ATOM 616 N GLU A 39 1.136 1.126 -6.600 1.00 0.00 N ATOM 617 CA GLU A 39 -0.127 0.521 -6.989 1.00 0.00 C ATOM 618 C GLU A 39 -0.574 -0.466 -5.914 1.00 0.00 C ATOM 619 O GLU A 39 0.263 -1.029 -5.210 1.00 0.00 O ATOM 620 CB GLU A 39 0.048 -0.199 -8.331 1.00 0.00 C ATOM 621 CG GLU A 39 1.216 -1.206 -8.361 1.00 0.00 C ATOM 622 CD GLU A 39 1.343 -1.928 -9.701 1.00 0.00 C ATOM 623 OE1 GLU A 39 1.305 -1.245 -10.752 1.00 0.00 O ATOM 624 OE2 GLU A 39 1.538 -3.167 -9.721 1.00 0.00 O ATOM 0 H GLU A 39 1.934 0.732 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.889 1.293 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.876 -0.724 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.204 0.545 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.147 -0.681 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.075 -1.942 -7.569 1.00 0.00 H new ATOM 631 N ARG A 40 -1.889 -0.678 -5.805 1.00 0.00 N ATOM 632 CA ARG A 40 -2.469 -1.599 -4.836 1.00 0.00 C ATOM 633 C ARG A 40 -1.963 -3.017 -5.100 1.00 0.00 C ATOM 634 O ARG A 40 -2.291 -3.555 -6.162 1.00 0.00 O ATOM 635 CB ARG A 40 -3.998 -1.621 -4.938 1.00 0.00 C ATOM 636 CG ARG A 40 -4.692 -0.638 -3.993 1.00 0.00 C ATOM 637 CD ARG A 40 -6.207 -0.676 -4.238 1.00 0.00 C ATOM 638 NE ARG A 40 -6.765 -2.029 -4.067 1.00 0.00 N ATOM 639 CZ ARG A 40 -7.538 -2.692 -4.938 1.00 0.00 C ATOM 640 NH1 ARG A 40 -8.065 -2.083 -5.992 1.00 0.00 N ATOM 641 NH2 ARG A 40 -7.806 -3.977 -4.749 1.00 0.00 N ATOM 0 H ARG A 40 -2.580 -0.211 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.174 -1.259 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.288 -1.392 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.353 -2.629 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.474 -0.897 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.312 0.370 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.702 0.009 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.419 -0.322 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.540 -2.510 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.884 -1.092 -6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.651 -2.606 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.423 -4.464 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.395 -4.478 -5.414 1.00 0.00 H new ATOM 655 N PRO A 41 -1.198 -3.620 -4.185 1.00 0.00 N ATOM 656 CA PRO A 41 -0.715 -4.977 -4.350 1.00 0.00 C ATOM 657 C PRO A 41 -1.886 -5.960 -4.264 1.00 0.00 C ATOM 658 O PRO A 41 -3.027 -5.598 -3.947 1.00 0.00 O ATOM 659 CB PRO A 41 0.302 -5.185 -3.237 1.00 0.00 C ATOM 660 CG PRO A 41 -0.106 -4.185 -2.164 1.00 0.00 C ATOM 661 CD PRO A 41 -0.767 -3.050 -2.925 1.00 0.00 C ATOM 0 HA PRO A 41 -0.252 -5.147 -5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.275 -6.207 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.318 -5.001 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.793 -4.633 -1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.759 -3.833 -1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.613 -2.646 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.069 -2.228 -3.086 1.00 0.00 H new ATOM 669 N SER A 42 -1.581 -7.229 -4.519 1.00 0.00 N ATOM 670 CA SER A 42 -2.541 -8.309 -4.504 1.00 0.00 C ATOM 671 C SER A 42 -1.805 -9.584 -4.083 1.00 0.00 C ATOM 672 O SER A 42 -1.506 -10.436 -4.922 1.00 0.00 O ATOM 673 CB SER A 42 -3.157 -8.356 -5.915 1.00 0.00 C ATOM 674 OG SER A 42 -4.300 -9.172 -6.011 1.00 0.00 O ATOM 0 H SER A 42 -0.635 -7.534 -4.746 1.00 0.00 H new ATOM 0 HA SER A 42 -3.356 -8.182 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.419 -7.343 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.405 -8.716 -6.617 1.00 0.00 H new ATOM 0 HG SER A 42 -4.638 -9.154 -6.931 1.00 0.00 H new