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+ 176:sc= 0 (180deg=-0.0175) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) 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= -1.98 K(o=-2,f=-8.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.656 X(o=-0.66,f=-0.37) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.089 X(o=-0.089,f=-0.074) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N LYS A 10 -7.569 -3.062 1.287 1.00 0.00 N ATOM 129 CA LYS A 10 -6.883 -3.893 2.264 1.00 0.00 C ATOM 130 C LYS A 10 -5.746 -4.573 1.510 1.00 0.00 C ATOM 131 O LYS A 10 -6.004 -5.565 0.825 1.00 0.00 O ATOM 132 CB LYS A 10 -7.853 -4.916 2.894 1.00 0.00 C ATOM 133 CG LYS A 10 -9.079 -4.286 3.570 1.00 0.00 C ATOM 134 CD LYS A 10 -8.751 -3.471 4.830 1.00 0.00 C ATOM 135 CE LYS A 10 -9.833 -2.412 5.043 1.00 0.00 C ATOM 136 NZ LYS A 10 -11.159 -3.001 5.313 1.00 0.00 N ATOM 0 HA LYS A 10 -6.495 -3.304 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.192 -5.603 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.310 -5.509 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.583 -3.639 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.781 -5.077 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.694 -4.128 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.776 -2.995 4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.548 -1.770 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.895 -1.778 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.841 -2.243 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.476 -3.538 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.095 -3.638 6.132 1.00 0.00 H new ATOM 150 N LEU A 11 -4.518 -4.051 1.611 1.00 0.00 N ATOM 151 CA LEU A 11 -3.350 -4.607 0.926 1.00 0.00 C ATOM 152 C LEU A 11 -3.211 -6.116 1.171 1.00 0.00 C ATOM 153 O LEU A 11 -3.632 -6.607 2.225 1.00 0.00 O ATOM 154 CB LEU A 11 -2.061 -3.861 1.348 1.00 0.00 C ATOM 155 CG LEU A 11 -1.757 -2.591 0.531 1.00 0.00 C ATOM 156 CD1 LEU A 11 -1.436 -2.908 -0.935 1.00 0.00 C ATOM 157 CD2 LEU A 11 -2.919 -1.598 0.620 1.00 0.00 C ATOM 0 H LEU A 11 -4.308 -3.227 2.174 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.499 -4.463 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.143 -3.589 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.216 -4.544 1.260 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.868 -2.136 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.229 -1.982 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.563 -3.559 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.288 -3.409 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.683 -0.709 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.824 -2.061 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.078 -1.317 1.661 1.00 0.00 H new ATOM 169 N PRO A 12 -2.614 -6.858 0.226 1.00 0.00 N ATOM 170 CA PRO A 12 -2.437 -8.293 0.344 1.00 0.00 C ATOM 171 C PRO A 12 -1.503 -8.701 1.486 1.00 0.00 C ATOM 172 O PRO A 12 -0.713 -7.886 1.976 1.00 0.00 O ATOM 173 CB PRO A 12 -1.938 -8.775 -1.016 1.00 0.00 C ATOM 174 CG PRO A 12 -1.352 -7.539 -1.673 1.00 0.00 C ATOM 175 CD PRO A 12 -2.095 -6.374 -1.038 1.00 0.00 C ATOM 0 HA PRO A 12 -3.383 -8.766 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.188 -9.559 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.751 -9.192 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.279 -7.468 -1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.496 -7.559 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.428 -5.526 -0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.903 -6.031 -1.684 1.00 0.00 H new ATOM 183 N PRO A 13 -1.549 -9.984 1.878 1.00 0.00 N ATOM 184 CA PRO A 13 -0.748 -10.530 2.959 1.00 0.00 C ATOM 185 C PRO A 13 0.744 -10.384 2.690 1.00 0.00 C ATOM 186 O PRO A 13 1.293 -11.101 1.859 1.00 0.00 O ATOM 187 CB PRO A 13 -1.204 -11.988 3.115 1.00 0.00 C ATOM 188 CG PRO A 13 -1.809 -12.331 1.759 1.00 0.00 C ATOM 189 CD PRO A 13 -2.434 -11.010 1.344 1.00 0.00 C ATOM 0 HA PRO A 13 -0.897 -9.986 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.368 -12.644 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.935 -12.094 3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.053 -12.665 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.550 -13.127 1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.514 -10.936 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.442 -10.908 1.745 1.00 0.00 H new ATOM 197 N GLY A 14 1.415 -9.517 3.448 1.00 0.00 N ATOM 198 CA GLY A 14 2.841 -9.231 3.342 1.00 0.00 C ATOM 199 C GLY A 14 3.119 -7.803 2.894 1.00 0.00 C ATOM 200 O GLY A 14 4.177 -7.263 3.211 1.00 0.00 O ATOM 0 H GLY A 14 0.959 -8.974 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.315 -9.404 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.296 -9.925 2.635 1.00 0.00 H new ATOM 204 N TRP A 15 2.209 -7.166 2.162 1.00 0.00 N ATOM 205 CA TRP A 15 2.385 -5.791 1.726 1.00 0.00 C ATOM 206 C TRP A 15 1.772 -4.874 2.772 1.00 0.00 C ATOM 207 O TRP A 15 0.747 -5.188 3.374 1.00 0.00 O ATOM 208 CB TRP A 15 1.743 -5.581 0.368 1.00 0.00 C ATOM 209 CG TRP A 15 2.517 -6.254 -0.711 1.00 0.00 C ATOM 210 CD1 TRP A 15 2.371 -7.524 -1.141 1.00 0.00 C ATOM 211 CD2 TRP A 15 3.582 -5.681 -1.511 1.00 0.00 C ATOM 212 NE1 TRP A 15 3.262 -7.762 -2.166 1.00 0.00 N ATOM 213 CE2 TRP A 15 3.988 -6.636 -2.480 1.00 0.00 C ATOM 214 CE3 TRP A 15 4.188 -4.413 -1.544 1.00 0.00 C ATOM 215 CZ2 TRP A 15 4.917 -6.327 -3.478 1.00 0.00 C ATOM 216 CZ3 TRP A 15 5.115 -4.088 -2.548 1.00 0.00 C ATOM 217 CH2 TRP A 15 5.477 -5.039 -3.520 1.00 0.00 C ATOM 0 H TRP A 15 1.333 -7.590 1.857 1.00 0.00 H new ATOM 0 HA TRP A 15 3.446 -5.562 1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.724 -5.968 0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.675 -4.514 0.157 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.667 -8.241 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.370 -8.662 -2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.938 -3.681 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.201 -7.070 -4.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.553 -3.101 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.183 -4.780 -4.295 1.00 0.00 H new ATOM 228 N GLU A 16 2.351 -3.693 2.920 1.00 0.00 N ATOM 229 CA GLU A 16 1.996 -2.647 3.849 1.00 0.00 C ATOM 230 C GLU A 16 2.056 -1.300 3.150 1.00 0.00 C ATOM 231 O GLU A 16 3.061 -0.957 2.532 1.00 0.00 O ATOM 232 CB GLU A 16 3.007 -2.657 5.006 1.00 0.00 C ATOM 233 CG GLU A 16 2.554 -3.569 6.150 1.00 0.00 C ATOM 234 CD GLU A 16 1.636 -2.825 7.131 1.00 0.00 C ATOM 235 OE1 GLU A 16 0.866 -1.925 6.726 1.00 0.00 O ATOM 236 OE2 GLU A 16 1.769 -3.042 8.359 1.00 0.00 O ATOM 0 H GLU A 16 3.148 -3.425 2.342 1.00 0.00 H new ATOM 0 HA GLU A 16 0.986 -2.814 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.977 -2.990 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.140 -1.642 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.029 -4.433 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.426 -3.948 6.682 1.00 0.00 H new ATOM 243 N LYS A 17 0.967 -0.544 3.202 1.00 0.00 N ATOM 244 CA LYS A 17 0.892 0.781 2.610 1.00 0.00 C ATOM 245 C LYS A 17 1.553 1.748 3.580 1.00 0.00 C ATOM 246 O LYS A 17 1.093 1.874 4.715 1.00 0.00 O ATOM 247 CB LYS A 17 -0.575 1.128 2.379 1.00 0.00 C ATOM 248 CG LYS A 17 -0.735 2.522 1.757 1.00 0.00 C ATOM 249 CD LYS A 17 -2.218 2.813 1.527 1.00 0.00 C ATOM 250 CE LYS A 17 -2.384 4.239 1.015 1.00 0.00 C ATOM 251 NZ LYS A 17 -3.807 4.606 0.896 1.00 0.00 N ATOM 0 H LYS A 17 0.105 -0.838 3.661 1.00 0.00 H new ATOM 0 HA LYS A 17 1.404 0.833 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.027 0.383 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.112 1.088 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.304 3.277 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.193 2.575 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.630 2.107 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.773 2.682 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.884 4.931 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.899 4.337 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.886 5.582 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.278 3.960 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.263 4.535 1.828 1.00 0.00 H new ATOM 265 N ARG A 18 2.614 2.427 3.152 1.00 0.00 N ATOM 266 CA ARG A 18 3.360 3.394 3.952 1.00 0.00 C ATOM 267 C ARG A 18 3.481 4.706 3.189 1.00 0.00 C ATOM 268 O ARG A 18 2.942 4.852 2.091 1.00 0.00 O ATOM 269 CB ARG A 18 4.754 2.810 4.225 1.00 0.00 C ATOM 270 CG ARG A 18 4.765 1.562 5.118 1.00 0.00 C ATOM 271 CD ARG A 18 4.814 1.941 6.610 1.00 0.00 C ATOM 272 NE ARG A 18 4.767 0.760 7.488 1.00 0.00 N ATOM 273 CZ ARG A 18 3.698 -0.016 7.708 1.00 0.00 C ATOM 274 NH1 ARG A 18 2.508 0.294 7.202 1.00 0.00 N ATOM 275 NH2 ARG A 18 3.830 -1.134 8.410 1.00 0.00 N ATOM 0 H ARG A 18 2.990 2.316 2.210 1.00 0.00 H new ATOM 0 HA ARG A 18 2.846 3.589 4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.222 2.562 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.370 3.579 4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.875 0.964 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.627 0.942 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.726 2.504 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.976 2.598 6.843 1.00 0.00 H new ATOM 0 HE ARG A 18 5.628 0.510 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.398 1.135 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.705 -0.309 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.743 -1.399 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.019 -1.728 8.580 1.00 0.00 H new ATOM 289 N MET A 19 4.179 5.670 3.780 1.00 0.00 N ATOM 290 CA MET A 19 4.428 6.980 3.218 1.00 0.00 C ATOM 291 C MET A 19 5.875 7.343 3.525 1.00 0.00 C ATOM 292 O MET A 19 6.384 7.064 4.616 1.00 0.00 O ATOM 293 CB MET A 19 3.432 7.996 3.788 1.00 0.00 C ATOM 294 CG MET A 19 3.684 9.384 3.194 1.00 0.00 C ATOM 295 SD MET A 19 2.395 10.609 3.519 1.00 0.00 S ATOM 296 CE MET A 19 2.579 10.833 5.307 1.00 0.00 C ATOM 0 H MET A 19 4.601 5.549 4.701 1.00 0.00 H new ATOM 0 HA MET A 19 4.284 6.985 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.413 7.679 3.567 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.525 8.036 4.873 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.629 9.762 3.585 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.803 9.283 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.850 11.563 5.659 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.413 9.881 5.812 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.585 11.190 5.527 1.00 0.00 H new ATOM 306 N GLU A 20 6.567 7.901 2.539 1.00 0.00 N ATOM 307 CA GLU A 20 7.952 8.321 2.653 1.00 0.00 C ATOM 308 C GLU A 20 7.985 9.547 3.547 1.00 0.00 C ATOM 309 O GLU A 20 7.369 10.538 3.184 1.00 0.00 O ATOM 310 CB GLU A 20 8.512 8.704 1.272 1.00 0.00 C ATOM 311 CG GLU A 20 8.574 7.493 0.337 1.00 0.00 C ATOM 312 CD GLU A 20 9.517 7.676 -0.855 1.00 0.00 C ATOM 313 OE1 GLU A 20 10.460 8.494 -0.767 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.315 7.009 -1.895 1.00 0.00 O ATOM 0 H GLU A 20 6.168 8.077 1.617 1.00 0.00 H new ATOM 0 HA GLU A 20 8.553 7.509 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.887 9.478 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.510 9.128 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.892 6.621 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.571 7.282 -0.035 1.00 0.00 H new ATOM 321 N ARG A 21 8.648 9.519 4.703 1.00 0.00 N ATOM 322 CA ARG A 21 8.700 10.710 5.559 1.00 0.00 C ATOM 323 C ARG A 21 9.606 11.772 4.937 1.00 0.00 C ATOM 324 O ARG A 21 9.386 12.963 5.133 1.00 0.00 O ATOM 325 CB ARG A 21 9.163 10.343 6.975 1.00 0.00 C ATOM 326 CG ARG A 21 8.136 9.430 7.659 1.00 0.00 C ATOM 327 CD ARG A 21 8.551 9.071 9.085 1.00 0.00 C ATOM 328 NE ARG A 21 9.647 8.090 9.118 1.00 0.00 N ATOM 329 CZ ARG A 21 10.279 7.680 10.221 1.00 0.00 C ATOM 330 NH1 ARG A 21 9.985 8.194 11.409 1.00 0.00 N ATOM 331 NH2 ARG A 21 11.216 6.743 10.142 1.00 0.00 N ATOM 0 H ARG A 21 9.147 8.706 5.065 1.00 0.00 H new ATOM 0 HA ARG A 21 7.696 11.126 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.130 9.842 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.302 11.249 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.165 9.926 7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.017 8.517 7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.860 9.975 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.691 8.670 9.621 1.00 0.00 H new ATOM 0 HE ARG A 21 9.948 7.692 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.267 8.914 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.477 7.869 12.241 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.454 6.335 9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.698 6.431 10.985 1.00 0.00 H new ATOM 345 N SER A 22 10.566 11.340 4.115 1.00 0.00 N ATOM 346 CA SER A 22 11.518 12.195 3.434 1.00 0.00 C ATOM 347 C SER A 22 10.797 13.265 2.614 1.00 0.00 C ATOM 348 O SER A 22 10.988 14.448 2.885 1.00 0.00 O ATOM 349 CB SER A 22 12.435 11.321 2.568 1.00 0.00 C ATOM 350 OG SER A 22 13.458 12.070 1.945 1.00 0.00 O ATOM 0 H SER A 22 10.699 10.351 3.904 1.00 0.00 H new ATOM 0 HA SER A 22 12.131 12.726 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.883 10.543 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.840 10.818 1.805 1.00 0.00 H new ATOM 0 HG SER A 22 14.018 11.473 1.406 1.00 0.00 H new ATOM 356 N SER A 23 9.909 12.862 1.692 1.00 0.00 N ATOM 357 CA SER A 23 9.178 13.774 0.811 1.00 0.00 C ATOM 358 C SER A 23 7.654 13.744 0.955 1.00 0.00 C ATOM 359 O SER A 23 6.983 14.661 0.489 1.00 0.00 O ATOM 360 CB SER A 23 9.545 13.402 -0.625 1.00 0.00 C ATOM 361 OG SER A 23 10.949 13.406 -0.801 1.00 0.00 O ATOM 0 H SER A 23 9.679 11.880 1.539 1.00 0.00 H new ATOM 0 HA SER A 23 9.470 14.786 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.147 12.416 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.085 14.107 -1.317 1.00 0.00 H new ATOM 0 HG SER A 23 11.163 13.164 -1.726 1.00 0.00 H new ATOM 367 N GLY A 24 7.082 12.724 1.594 1.00 0.00 N ATOM 368 CA GLY A 24 5.646 12.602 1.790 1.00 0.00 C ATOM 369 C GLY A 24 4.972 12.019 0.564 1.00 0.00 C ATOM 370 O GLY A 24 4.125 12.673 -0.048 1.00 0.00 O ATOM 0 H GLY A 24 7.614 11.951 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.447 11.968 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.222 13.582 2.010 1.00 0.00 H new ATOM 374 N ARG A 25 5.359 10.799 0.172 1.00 0.00 N ATOM 375 CA ARG A 25 4.765 10.145 -0.985 1.00 0.00 C ATOM 376 C ARG A 25 4.341 8.754 -0.531 1.00 0.00 C ATOM 377 O ARG A 25 5.117 8.075 0.138 1.00 0.00 O ATOM 378 CB ARG A 25 5.777 10.187 -2.133 1.00 0.00 C ATOM 379 CG ARG A 25 5.093 10.376 -3.498 1.00 0.00 C ATOM 380 CD ARG A 25 4.661 11.825 -3.812 1.00 0.00 C ATOM 381 NE ARG A 25 5.788 12.777 -3.878 1.00 0.00 N ATOM 382 CZ ARG A 25 5.763 14.033 -4.354 1.00 0.00 C ATOM 383 NH1 ARG A 25 4.680 14.517 -4.952 1.00 0.00 N ATOM 384 NH2 ARG A 25 6.841 14.803 -4.233 1.00 0.00 N ATOM 0 H ARG A 25 6.080 10.251 0.642 1.00 0.00 H new ATOM 0 HA ARG A 25 3.873 10.637 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.482 11.001 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.354 9.262 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.773 10.038 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.214 9.733 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.129 11.839 -4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.958 12.159 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 25 6.684 12.444 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.850 13.933 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.678 15.473 -5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.680 14.439 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.829 15.758 -4.592 1.00 0.00 H new ATOM 398 N VAL A 26 3.105 8.360 -0.798 1.00 0.00 N ATOM 399 CA VAL A 26 2.531 7.076 -0.408 1.00 0.00 C ATOM 400 C VAL A 26 3.016 5.985 -1.360 1.00 0.00 C ATOM 401 O VAL A 26 3.218 6.260 -2.548 1.00 0.00 O ATOM 402 CB VAL A 26 0.999 7.211 -0.361 1.00 0.00 C ATOM 403 CG1 VAL A 26 0.333 5.954 0.209 1.00 0.00 C ATOM 404 CG2 VAL A 26 0.575 8.393 0.531 1.00 0.00 C ATOM 0 H VAL A 26 2.447 8.946 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 26 2.861 6.783 0.589 1.00 0.00 H new ATOM 0 HB VAL A 26 0.679 7.368 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.748 6.091 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.581 5.096 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.692 5.780 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.512 8.465 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.942 8.234 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.995 9.317 0.134 1.00 0.00 H new ATOM 414 N TYR A 27 3.217 4.767 -0.849 1.00 0.00 N ATOM 415 CA TYR A 27 3.695 3.614 -1.604 1.00 0.00 C ATOM 416 C TYR A 27 3.395 2.319 -0.833 1.00 0.00 C ATOM 417 O TYR A 27 2.858 2.371 0.278 1.00 0.00 O ATOM 418 CB TYR A 27 5.213 3.759 -1.831 1.00 0.00 C ATOM 419 CG TYR A 27 6.075 3.578 -0.588 1.00 0.00 C ATOM 420 CD1 TYR A 27 6.150 4.586 0.392 1.00 0.00 C ATOM 421 CD2 TYR A 27 6.799 2.386 -0.406 1.00 0.00 C ATOM 422 CE1 TYR A 27 6.907 4.388 1.560 1.00 0.00 C ATOM 423 CE2 TYR A 27 7.554 2.177 0.758 1.00 0.00 C ATOM 424 CZ TYR A 27 7.601 3.174 1.756 1.00 0.00 C ATOM 425 OH TYR A 27 8.309 2.965 2.899 1.00 0.00 O ATOM 0 H TYR A 27 3.045 4.554 0.133 1.00 0.00 H new ATOM 0 HA TYR A 27 3.185 3.568 -2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.524 3.029 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.409 4.746 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.623 5.517 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.774 1.623 -1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.958 5.165 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.099 1.254 0.890 1.00 0.00 H new ATOM 0 HH TYR A 27 8.723 2.077 2.869 1.00 0.00 H new ATOM 435 N TYR A 28 3.760 1.161 -1.392 1.00 0.00 N ATOM 436 CA TYR A 28 3.557 -0.147 -0.780 1.00 0.00 C ATOM 437 C TYR A 28 4.909 -0.772 -0.465 1.00 0.00 C ATOM 438 O TYR A 28 5.866 -0.613 -1.223 1.00 0.00 O ATOM 439 CB TYR A 28 2.715 -1.030 -1.700 1.00 0.00 C ATOM 440 CG TYR A 28 1.373 -0.414 -2.031 1.00 0.00 C ATOM 441 CD1 TYR A 28 0.488 -0.093 -0.989 1.00 0.00 C ATOM 442 CD2 TYR A 28 1.030 -0.098 -3.357 1.00 0.00 C ATOM 443 CE1 TYR A 28 -0.724 0.555 -1.265 1.00 0.00 C ATOM 444 CE2 TYR A 28 -0.201 0.516 -3.645 1.00 0.00 C ATOM 445 CZ TYR A 28 -1.082 0.852 -2.596 1.00 0.00 C ATOM 446 OH TYR A 28 -2.260 1.476 -2.859 1.00 0.00 O ATOM 0 H TYR A 28 4.215 1.111 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 28 3.010 -0.042 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.264 -1.213 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.559 -1.998 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.742 -0.347 0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.716 -0.328 -4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.385 0.828 -0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.472 0.730 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.352 1.607 -3.826 1.00 0.00 H new ATOM 456 N PHE A 29 4.983 -1.538 0.621 1.00 0.00 N ATOM 457 CA PHE A 29 6.200 -2.180 1.095 1.00 0.00 C ATOM 458 C PHE A 29 5.899 -3.610 1.506 1.00 0.00 C ATOM 459 O PHE A 29 4.989 -3.844 2.288 1.00 0.00 O ATOM 460 CB PHE A 29 6.732 -1.385 2.293 1.00 0.00 C ATOM 461 CG PHE A 29 8.085 -1.876 2.756 1.00 0.00 C ATOM 462 CD1 PHE A 29 8.178 -2.994 3.610 1.00 0.00 C ATOM 463 CD2 PHE A 29 9.253 -1.258 2.271 1.00 0.00 C ATOM 464 CE1 PHE A 29 9.441 -3.494 3.964 1.00 0.00 C ATOM 465 CE2 PHE A 29 10.512 -1.732 2.659 1.00 0.00 C ATOM 466 CZ PHE A 29 10.598 -2.843 3.508 1.00 0.00 C ATOM 0 H PHE A 29 4.173 -1.733 1.210 1.00 0.00 H new ATOM 0 HA PHE A 29 6.949 -2.199 0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.804 -0.331 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.022 -1.456 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.282 -3.463 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.178 -0.416 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.522 -4.375 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.409 -1.245 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.568 -3.204 3.816 1.00 0.00 H new ATOM 476 N ASN A 30 6.623 -4.571 0.958 1.00 0.00 N ATOM 477 CA ASN A 30 6.473 -5.992 1.245 1.00 0.00 C ATOM 478 C ASN A 30 7.399 -6.410 2.384 1.00 0.00 C ATOM 479 O ASN A 30 8.591 -6.602 2.152 1.00 0.00 O ATOM 480 CB ASN A 30 6.786 -6.789 -0.016 1.00 0.00 C ATOM 481 CG ASN A 30 6.596 -8.280 0.154 1.00 0.00 C ATOM 482 OD1 ASN A 30 6.164 -8.733 1.205 1.00 0.00 O ATOM 483 ND2 ASN A 30 6.865 -9.060 -0.878 1.00 0.00 N ATOM 0 H ASN A 30 7.358 -4.379 0.277 1.00 0.00 H new ATOM 0 HA ASN A 30 5.448 -6.192 1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.147 -6.439 -0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.816 -6.593 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.713 -10.066 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.224 -8.656 -1.743 1.00 0.00 H new ATOM 490 N HIS A 31 6.898 -6.542 3.614 1.00 0.00 N ATOM 491 CA HIS A 31 7.720 -6.936 4.760 1.00 0.00 C ATOM 492 C HIS A 31 8.185 -8.397 4.708 1.00 0.00 C ATOM 493 O HIS A 31 9.074 -8.784 5.471 1.00 0.00 O ATOM 494 CB HIS A 31 7.019 -6.593 6.078 1.00 0.00 C ATOM 495 CG HIS A 31 5.767 -7.372 6.391 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.686 -8.505 7.170 1.00 0.00 N ATOM 497 CD2 HIS A 31 4.491 -7.020 6.044 1.00 0.00 C ATOM 498 CE1 HIS A 31 4.388 -8.851 7.242 1.00 0.00 C ATOM 499 NE2 HIS A 31 3.620 -7.968 6.579 1.00 0.00 N ATOM 0 H HIS A 31 5.917 -6.380 3.843 1.00 0.00 H new ATOM 0 HA HIS A 31 8.636 -6.348 4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.728 -6.744 6.892 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.768 -5.532 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.208 -6.158 5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.013 -9.720 7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.604 -7.988 6.486 1.00 0.00 H new ATOM 507 N ILE A 32 7.636 -9.209 3.806 1.00 0.00 N ATOM 508 CA ILE A 32 8.025 -10.609 3.668 1.00 0.00 C ATOM 509 C ILE A 32 9.391 -10.701 2.996 1.00 0.00 C ATOM 510 O ILE A 32 10.199 -11.532 3.408 1.00 0.00 O ATOM 511 CB ILE A 32 6.969 -11.388 2.852 1.00 0.00 C ATOM 512 CG1 ILE A 32 5.698 -11.545 3.717 1.00 0.00 C ATOM 513 CG2 ILE A 32 7.480 -12.724 2.292 1.00 0.00 C ATOM 514 CD1 ILE A 32 4.532 -12.254 3.023 1.00 0.00 C ATOM 0 H ILE A 32 6.911 -8.914 3.152 1.00 0.00 H new ATOM 0 HA ILE A 32 8.087 -11.057 4.660 1.00 0.00 H new ATOM 0 HB ILE A 32 6.730 -10.811 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.956 -12.099 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.367 -10.556 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.683 -13.212 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.328 -12.541 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.792 -13.368 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.686 -12.318 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.240 -11.692 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.839 -13.258 2.731 1.00 0.00 H new ATOM 526 N THR A 33 9.658 -9.893 1.963 1.00 0.00 N ATOM 527 CA THR A 33 10.945 -9.982 1.261 1.00 0.00 C ATOM 528 C THR A 33 11.679 -8.642 1.231 1.00 0.00 C ATOM 529 O THR A 33 12.720 -8.522 0.579 1.00 0.00 O ATOM 530 CB THR A 33 10.668 -10.626 -0.110 1.00 0.00 C ATOM 531 OG1 THR A 33 11.797 -11.267 -0.676 1.00 0.00 O ATOM 532 CG2 THR A 33 10.128 -9.610 -1.112 1.00 0.00 C ATOM 0 H THR A 33 9.018 -9.186 1.601 1.00 0.00 H new ATOM 0 HA THR A 33 11.652 -10.620 1.792 1.00 0.00 H new ATOM 0 HB THR A 33 9.916 -11.389 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.553 -11.655 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.945 -10.103 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.195 -9.189 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.857 -8.812 -1.249 1.00 0.00 H new ATOM 540 N ASN A 34 11.155 -7.647 1.955 1.00 0.00 N ATOM 541 CA ASN A 34 11.687 -6.295 2.058 1.00 0.00 C ATOM 542 C ASN A 34 11.597 -5.557 0.711 1.00 0.00 C ATOM 543 O ASN A 34 12.450 -4.728 0.384 1.00 0.00 O ATOM 544 CB ASN A 34 13.089 -6.326 2.680 1.00 0.00 C ATOM 545 CG ASN A 34 13.368 -5.061 3.480 1.00 0.00 C ATOM 546 OD1 ASN A 34 13.911 -4.071 2.992 1.00 0.00 O ATOM 547 ND2 ASN A 34 12.968 -5.063 4.739 1.00 0.00 N ATOM 0 H ASN A 34 10.308 -7.775 2.509 1.00 0.00 H new ATOM 0 HA ASN A 34 11.071 -5.706 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.182 -7.197 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.836 -6.433 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.108 -4.236 5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.519 -5.891 5.130 1.00 0.00 H new ATOM 554 N ALA A 35 10.640 -5.945 -0.143 1.00 0.00 N ATOM 555 CA ALA A 35 10.409 -5.324 -1.446 1.00 0.00 C ATOM 556 C ALA A 35 9.474 -4.131 -1.244 1.00 0.00 C ATOM 557 O ALA A 35 8.996 -3.881 -0.142 1.00 0.00 O ATOM 558 CB ALA A 35 9.834 -6.330 -2.461 1.00 0.00 C ATOM 0 H ALA A 35 9.997 -6.711 0.059 1.00 0.00 H new ATOM 0 HA ALA A 35 11.356 -4.983 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.676 -5.832 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.535 -7.154 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.884 -6.717 -2.092 1.00 0.00 H new ATOM 564 N SER A 36 9.156 -3.414 -2.308 1.00 0.00 N ATOM 565 CA SER A 36 8.286 -2.264 -2.335 1.00 0.00 C ATOM 566 C SER A 36 7.911 -1.940 -3.772 1.00 0.00 C ATOM 567 O SER A 36 8.626 -2.350 -4.691 1.00 0.00 O ATOM 568 CB SER A 36 9.073 -1.113 -1.728 1.00 0.00 C ATOM 569 OG SER A 36 10.184 -0.745 -2.522 1.00 0.00 O ATOM 0 H SER A 36 9.525 -3.639 -3.232 1.00 0.00 H new ATOM 0 HA SER A 36 7.366 -2.446 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.416 -0.252 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.418 -1.396 -0.733 1.00 0.00 H new ATOM 0 HG SER A 36 10.659 -0.002 -2.095 1.00 0.00 H new ATOM 575 N GLN A 37 6.787 -1.256 -3.970 1.00 0.00 N ATOM 576 CA GLN A 37 6.306 -0.816 -5.268 1.00 0.00 C ATOM 577 C GLN A 37 5.240 0.256 -5.038 1.00 0.00 C ATOM 578 O GLN A 37 4.877 0.556 -3.899 1.00 0.00 O ATOM 579 CB GLN A 37 5.752 -1.968 -6.147 1.00 0.00 C ATOM 580 CG GLN A 37 6.824 -2.668 -7.005 1.00 0.00 C ATOM 581 CD GLN A 37 6.324 -3.043 -8.400 1.00 0.00 C ATOM 582 OE1 GLN A 37 5.228 -3.573 -8.577 1.00 0.00 O ATOM 583 NE2 GLN A 37 7.100 -2.777 -9.438 1.00 0.00 N ATOM 0 H GLN A 37 6.169 -0.986 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 37 7.151 -0.413 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.276 -2.707 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.977 -1.571 -6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.690 -2.013 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.161 -3.569 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.009 -2.338 -9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.789 -3.011 -10.381 1.00 0.00 H new ATOM 592 N TRP A 38 4.762 0.882 -6.110 1.00 0.00 N ATOM 593 CA TRP A 38 3.727 1.907 -6.066 1.00 0.00 C ATOM 594 C TRP A 38 2.398 1.338 -6.554 1.00 0.00 C ATOM 595 O TRP A 38 1.344 1.822 -6.148 1.00 0.00 O ATOM 596 CB TRP A 38 4.142 3.111 -6.907 1.00 0.00 C ATOM 597 CG TRP A 38 5.509 3.652 -6.616 1.00 0.00 C ATOM 598 CD1 TRP A 38 6.655 3.141 -7.111 1.00 0.00 C ATOM 599 CD2 TRP A 38 5.903 4.784 -5.787 1.00 0.00 C ATOM 600 NE1 TRP A 38 7.727 3.896 -6.679 1.00 0.00 N ATOM 601 CE2 TRP A 38 7.314 4.955 -5.899 1.00 0.00 C ATOM 602 CE3 TRP A 38 5.206 5.699 -4.972 1.00 0.00 C ATOM 603 CZ2 TRP A 38 7.985 6.017 -5.276 1.00 0.00 C ATOM 604 CZ3 TRP A 38 5.876 6.744 -4.311 1.00 0.00 C ATOM 605 CH2 TRP A 38 7.258 6.921 -4.481 1.00 0.00 C ATOM 0 H TRP A 38 5.092 0.685 -7.055 1.00 0.00 H new ATOM 0 HA TRP A 38 3.600 2.236 -5.035 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.096 2.832 -7.960 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.414 3.908 -6.756 1.00 0.00 H new ATOM 0 HD1 TRP A 38 6.724 2.272 -7.749 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.701 3.696 -6.908 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.138 5.596 -4.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.050 6.140 -5.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.324 7.414 -3.669 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.761 7.748 -4.003 1.00 0.00 H new ATOM 616 N GLU A 39 2.425 0.375 -7.480 1.00 0.00 N ATOM 617 CA GLU A 39 1.199 -0.240 -7.989 1.00 0.00 C ATOM 618 C GLU A 39 0.624 -1.189 -6.941 1.00 0.00 C ATOM 619 O GLU A 39 1.372 -1.728 -6.130 1.00 0.00 O ATOM 620 CB GLU A 39 1.469 -1.035 -9.269 1.00 0.00 C ATOM 621 CG GLU A 39 1.792 -0.118 -10.446 1.00 0.00 C ATOM 622 CD GLU A 39 1.686 -0.895 -11.755 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.556 -1.067 -12.253 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.731 -1.351 -12.278 1.00 0.00 O ATOM 0 H GLU A 39 3.282 0.006 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 39 0.492 0.560 -8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.300 -1.720 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.597 -1.643 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.105 0.728 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.797 0.290 -10.335 1.00 0.00 H new ATOM 631 N ARG A 40 -0.696 -1.404 -6.966 1.00 0.00 N ATOM 632 CA ARG A 40 -1.364 -2.298 -6.024 1.00 0.00 C ATOM 633 C ARG A 40 -0.895 -3.741 -6.263 1.00 0.00 C ATOM 634 O ARG A 40 -1.156 -4.260 -7.355 1.00 0.00 O ATOM 635 CB ARG A 40 -2.891 -2.231 -6.157 1.00 0.00 C ATOM 636 CG ARG A 40 -3.499 -1.038 -5.409 1.00 0.00 C ATOM 637 CD ARG A 40 -4.971 -0.799 -5.797 1.00 0.00 C ATOM 638 NE ARG A 40 -5.894 -1.770 -5.179 1.00 0.00 N ATOM 639 CZ ARG A 40 -6.258 -2.974 -5.642 1.00 0.00 C ATOM 640 NH1 ARG A 40 -5.859 -3.399 -6.835 1.00 0.00 N ATOM 641 NH2 ARG A 40 -7.022 -3.757 -4.892 1.00 0.00 N ATOM 0 H ARG A 40 -1.325 -0.964 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.100 -1.976 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.157 -2.167 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.326 -3.154 -5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.431 -1.212 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.918 -0.141 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.260 0.209 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.069 -0.852 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.306 -1.490 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.266 -2.806 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.146 -4.318 -7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.327 -3.441 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.304 -4.675 -5.236 1.00 0.00 H new ATOM 655 N PRO A 41 -0.236 -4.379 -5.286 1.00 0.00 N ATOM 656 CA PRO A 41 0.245 -5.751 -5.379 1.00 0.00 C ATOM 657 C PRO A 41 -0.900 -6.762 -5.260 1.00 0.00 C ATOM 658 O PRO A 41 -2.063 -6.386 -5.075 1.00 0.00 O ATOM 659 CB PRO A 41 1.236 -5.893 -4.228 1.00 0.00 C ATOM 660 CG PRO A 41 0.729 -4.900 -3.185 1.00 0.00 C ATOM 661 CD PRO A 41 0.094 -3.795 -4.000 1.00 0.00 C ATOM 0 HA PRO A 41 0.706 -5.955 -6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.252 -6.910 -3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.252 -5.657 -4.544 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.007 -5.363 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.543 -4.521 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.799 -3.411 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.779 -2.955 -4.118 1.00 0.00 H new ATOM 669 N SER A 42 -0.567 -8.055 -5.320 1.00 0.00 N ATOM 670 CA SER A 42 -1.519 -9.147 -5.216 1.00 0.00 C ATOM 671 C SER A 42 -0.816 -10.375 -4.643 1.00 0.00 C ATOM 672 O SER A 42 0.073 -10.928 -5.292 1.00 0.00 O ATOM 673 CB SER A 42 -2.118 -9.435 -6.603 1.00 0.00 C ATOM 674 OG SER A 42 -2.707 -10.726 -6.685 1.00 0.00 O ATOM 0 H SER A 42 0.395 -8.371 -5.445 1.00 0.00 H new ATOM 0 HA SER A 42 -2.334 -8.878 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.870 -8.681 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.337 -9.347 -7.358 1.00 0.00 H new ATOM 0 HG SER A 42 -3.075 -10.861 -7.583 1.00 0.00 H new