USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 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= -6.59! C(o=-6.6!,f=-7.6!) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.00698 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0.919 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.0378) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 153:sc= 0.32 USER MOD Single : A 19 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.76) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 37:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.81! C(o=-1.8!,f=-17!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.89 F(o=-5.8!,f=-1.9) USER MOD Single : A 59 ASN : amide:sc= -1.9 K(o=-1.9,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.336 -0.456 3.443 1.00 0.00 N ATOM 96 CA LYS A 7 -5.442 -1.587 3.053 1.00 0.00 C ATOM 97 C LYS A 7 -5.440 -1.758 1.532 1.00 0.00 C ATOM 98 O LYS A 7 -6.476 -1.930 0.918 1.00 0.00 O ATOM 99 CB LYS A 7 -6.043 -2.819 3.731 1.00 0.00 C ATOM 100 CG LYS A 7 -6.006 -2.637 5.249 1.00 0.00 C ATOM 101 CD LYS A 7 -5.792 -3.994 5.922 1.00 0.00 C ATOM 102 CE LYS A 7 -6.079 -3.872 7.420 1.00 0.00 C ATOM 103 NZ LYS A 7 -6.468 -5.245 7.849 1.00 0.00 N ATOM 0 HA LYS A 7 -4.408 -1.420 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.070 -2.966 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.485 -3.711 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.204 -1.952 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.938 -2.191 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.448 -4.741 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.768 -4.333 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.201 -3.522 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.879 -3.157 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.681 -5.243 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.310 -5.549 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.685 -5.903 7.660 1.00 0.00 H new ATOM 117 N VAL A 8 -4.279 -1.749 0.928 1.00 0.00 N ATOM 118 CA VAL A 8 -4.195 -1.952 -0.551 1.00 0.00 C ATOM 119 C VAL A 8 -3.212 -3.082 -0.877 1.00 0.00 C ATOM 120 O VAL A 8 -2.155 -3.185 -0.283 1.00 0.00 O ATOM 121 CB VAL A 8 -3.697 -0.617 -1.116 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.709 0.483 -0.790 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.341 -0.258 -0.496 1.00 0.00 C ATOM 0 H VAL A 8 -3.383 -1.610 1.396 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.155 -2.236 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.585 -0.707 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.356 1.433 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.672 0.236 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.821 0.565 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.995 0.692 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.447 -0.172 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.616 -1.038 -0.729 1.00 0.00 H new ATOM 133 N ARG A 9 -3.531 -3.892 -1.854 1.00 0.00 N ATOM 134 CA ARG A 9 -2.592 -4.978 -2.270 1.00 0.00 C ATOM 135 C ARG A 9 -1.383 -4.383 -2.998 1.00 0.00 C ATOM 136 O ARG A 9 -1.513 -3.456 -3.775 1.00 0.00 O ATOM 137 CB ARG A 9 -3.400 -5.869 -3.215 1.00 0.00 C ATOM 138 CG ARG A 9 -4.098 -6.968 -2.411 1.00 0.00 C ATOM 139 CD ARG A 9 -4.400 -8.157 -3.325 1.00 0.00 C ATOM 140 NE ARG A 9 -5.407 -7.647 -4.307 1.00 0.00 N ATOM 141 CZ ARG A 9 -6.189 -8.470 -4.980 1.00 0.00 C ATOM 142 NH1 ARG A 9 -6.090 -9.772 -4.852 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.082 -7.975 -5.793 1.00 0.00 N ATOM 0 H ARG A 9 -4.402 -3.848 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.207 -5.536 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.138 -5.273 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.743 -6.313 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.465 -7.285 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.022 -6.585 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.499 -8.506 -3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.794 -9.000 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.491 -6.642 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.396 -10.171 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.707 -10.385 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.168 -6.964 -5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.693 -8.599 -6.320 1.00 0.00 H new ATOM 157 N ILE A 10 -0.217 -4.935 -2.778 1.00 0.00 N ATOM 158 CA ILE A 10 1.000 -4.435 -3.485 1.00 0.00 C ATOM 159 C ILE A 10 1.045 -4.996 -4.910 1.00 0.00 C ATOM 160 O ILE A 10 1.132 -6.193 -5.112 1.00 0.00 O ATOM 161 CB ILE A 10 2.186 -4.954 -2.661 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.093 -4.429 -1.217 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.501 -4.487 -3.294 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.115 -2.894 -1.204 1.00 0.00 C ATOM 0 H ILE A 10 -0.055 -5.712 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 10 1.013 -3.348 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 10 2.158 -6.044 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.177 -4.790 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.925 -4.816 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.340 -4.858 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.572 -4.873 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.527 -3.398 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.049 -2.538 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.044 -2.540 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.268 -2.513 -1.775 1.00 0.00 H new ATOM 176 N LEU A 11 1.035 -4.134 -5.895 1.00 0.00 N ATOM 177 CA LEU A 11 1.131 -4.604 -7.310 1.00 0.00 C ATOM 178 C LEU A 11 2.572 -4.474 -7.811 1.00 0.00 C ATOM 179 O LEU A 11 2.811 -4.167 -8.963 1.00 0.00 O ATOM 180 CB LEU A 11 0.200 -3.676 -8.101 1.00 0.00 C ATOM 181 CG LEU A 11 -1.248 -4.187 -8.046 1.00 0.00 C ATOM 182 CD1 LEU A 11 -1.335 -5.583 -8.671 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.725 -4.248 -6.590 1.00 0.00 C ATOM 0 H LEU A 11 0.964 -3.123 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 11 0.849 -5.651 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.251 -2.667 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.531 -3.617 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.884 -3.502 -8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.365 -5.937 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.010 -5.537 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.692 -6.269 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.752 -4.611 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.084 -4.924 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.679 -3.252 -6.150 1.00 0.00 H new ATOM 195 N ARG A 12 3.530 -4.716 -6.953 1.00 0.00 N ATOM 196 CA ARG A 12 4.961 -4.622 -7.370 1.00 0.00 C ATOM 197 C ARG A 12 5.621 -6.009 -7.319 1.00 0.00 C ATOM 198 O ARG A 12 6.152 -6.395 -6.298 1.00 0.00 O ATOM 199 CB ARG A 12 5.607 -3.682 -6.352 1.00 0.00 C ATOM 200 CG ARG A 12 6.729 -2.889 -7.027 1.00 0.00 C ATOM 201 CD ARG A 12 6.787 -1.478 -6.435 1.00 0.00 C ATOM 202 NE ARG A 12 8.088 -0.914 -6.909 1.00 0.00 N ATOM 203 CZ ARG A 12 9.237 -1.303 -6.390 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.288 -2.170 -5.404 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.349 -0.816 -6.867 1.00 0.00 N ATOM 0 H ARG A 12 3.382 -4.976 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 12 5.072 -4.256 -8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.860 -3.001 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.005 -4.255 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.684 -3.395 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.556 -2.837 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.947 -0.872 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.741 -1.504 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 12 8.087 -0.213 -7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.426 -2.559 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.190 -2.454 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.324 -0.142 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.244 -1.109 -6.474 1.00 0.00 H new ATOM 219 N PRO A 13 5.570 -6.724 -8.428 1.00 0.00 N ATOM 220 CA PRO A 13 6.180 -8.085 -8.487 1.00 0.00 C ATOM 221 C PRO A 13 7.643 -8.053 -8.024 1.00 0.00 C ATOM 222 O PRO A 13 8.095 -8.931 -7.312 1.00 0.00 O ATOM 223 CB PRO A 13 6.096 -8.453 -9.967 1.00 0.00 C ATOM 224 CG PRO A 13 4.969 -7.633 -10.504 1.00 0.00 C ATOM 225 CD PRO A 13 4.951 -6.353 -9.712 1.00 0.00 C ATOM 0 HA PRO A 13 5.674 -8.800 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.029 -8.228 -10.483 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.907 -9.518 -10.099 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.110 -7.430 -11.566 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.022 -8.164 -10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.512 -5.565 -10.213 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.935 -5.983 -9.574 1.00 0.00 H new ATOM 233 N GLU A 14 8.369 -7.030 -8.396 1.00 0.00 N ATOM 234 CA GLU A 14 9.793 -6.913 -7.950 1.00 0.00 C ATOM 235 C GLU A 14 9.866 -6.834 -6.423 1.00 0.00 C ATOM 236 O GLU A 14 10.859 -7.203 -5.823 1.00 0.00 O ATOM 237 CB GLU A 14 10.308 -5.617 -8.579 1.00 0.00 C ATOM 238 CG GLU A 14 11.812 -5.490 -8.330 1.00 0.00 C ATOM 239 CD GLU A 14 12.209 -4.013 -8.334 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.265 -3.438 -9.409 1.00 0.00 O ATOM 241 OE2 GLU A 14 12.448 -3.482 -7.262 1.00 0.00 O ATOM 0 H GLU A 14 8.038 -6.269 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 14 10.388 -7.774 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.105 -5.614 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.785 -4.761 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.072 -5.945 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.365 -6.028 -9.100 1.00 0.00 H new ATOM 248 N SER A 15 8.831 -6.336 -5.794 1.00 0.00 N ATOM 249 CA SER A 15 8.844 -6.206 -4.305 1.00 0.00 C ATOM 250 C SER A 15 8.633 -7.575 -3.652 1.00 0.00 C ATOM 251 O SER A 15 7.775 -8.338 -4.056 1.00 0.00 O ATOM 252 CB SER A 15 7.682 -5.269 -3.972 1.00 0.00 C ATOM 253 OG SER A 15 7.736 -4.927 -2.593 1.00 0.00 O ATOM 0 H SER A 15 7.977 -6.013 -6.248 1.00 0.00 H new ATOM 0 HA SER A 15 9.794 -5.820 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.738 -4.369 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.732 -5.752 -4.202 1.00 0.00 H new ATOM 0 HG SER A 15 7.323 -4.049 -2.457 1.00 0.00 H new ATOM 259 N TYR A 16 9.346 -7.848 -2.588 1.00 0.00 N ATOM 260 CA TYR A 16 9.122 -9.122 -1.835 1.00 0.00 C ATOM 261 C TYR A 16 7.680 -9.191 -1.317 1.00 0.00 C ATOM 262 O TYR A 16 7.165 -10.258 -1.040 1.00 0.00 O ATOM 263 CB TYR A 16 10.109 -9.077 -0.665 1.00 0.00 C ATOM 264 CG TYR A 16 10.028 -10.368 0.116 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.971 -10.580 1.009 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.010 -11.351 -0.053 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.896 -11.776 1.733 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.935 -12.547 0.672 1.00 0.00 C ATOM 269 CZ TYR A 16 9.878 -12.760 1.564 1.00 0.00 C ATOM 270 OH TYR A 16 9.804 -13.938 2.279 1.00 0.00 O ATOM 0 H TYR A 16 10.074 -7.244 -2.207 1.00 0.00 H new ATOM 0 HA TYR A 16 9.275 -9.999 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.123 -8.928 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.880 -8.232 -0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.214 -9.821 1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.825 -11.187 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.081 -11.940 2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.693 -13.305 0.543 1.00 0.00 H new ATOM 0 HH TYR A 16 10.562 -14.512 2.043 1.00 0.00 H new ATOM 280 N TRP A 17 7.055 -8.057 -1.117 1.00 0.00 N ATOM 281 CA TRP A 17 5.679 -8.048 -0.534 1.00 0.00 C ATOM 282 C TRP A 17 4.631 -7.962 -1.648 1.00 0.00 C ATOM 283 O TRP A 17 3.585 -7.365 -1.480 1.00 0.00 O ATOM 284 CB TRP A 17 5.627 -6.797 0.347 1.00 0.00 C ATOM 285 CG TRP A 17 6.634 -6.914 1.446 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.542 -7.761 2.497 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.878 -6.177 1.621 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.651 -7.590 3.306 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.504 -6.625 2.807 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.519 -5.174 0.870 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.723 -6.095 3.236 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.744 -4.639 1.299 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.344 -5.099 2.479 1.00 0.00 C ATOM 0 H TRP A 17 7.439 -7.137 -1.333 1.00 0.00 H new ATOM 0 HA TRP A 17 5.467 -8.955 0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.830 -5.909 -0.252 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.628 -6.677 0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.735 -8.456 2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.818 -8.113 4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.066 -4.814 -0.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 10.182 -6.453 4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.227 -3.868 0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.287 -4.683 2.803 1.00 0.00 H new ATOM 304 N PHE A 18 4.883 -8.602 -2.762 1.00 0.00 N ATOM 305 CA PHE A 18 3.877 -8.614 -3.868 1.00 0.00 C ATOM 306 C PHE A 18 2.702 -9.525 -3.503 1.00 0.00 C ATOM 307 O PHE A 18 2.814 -10.388 -2.653 1.00 0.00 O ATOM 308 CB PHE A 18 4.624 -9.164 -5.084 1.00 0.00 C ATOM 309 CG PHE A 18 3.722 -9.114 -6.294 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.264 -7.882 -6.775 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.345 -10.301 -6.935 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.428 -7.836 -7.897 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.509 -10.254 -8.058 1.00 0.00 C ATOM 314 CZ PHE A 18 2.051 -9.022 -8.538 1.00 0.00 C ATOM 0 H PHE A 18 5.742 -9.117 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 18 3.465 -7.623 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.526 -8.579 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.941 -10.190 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.555 -6.967 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.699 -11.252 -6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.074 -6.886 -8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.218 -11.169 -8.553 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.406 -8.986 -9.404 1.00 0.00 H new ATOM 324 N GLN A 19 1.575 -9.346 -4.151 1.00 0.00 N ATOM 325 CA GLN A 19 0.377 -10.205 -3.865 1.00 0.00 C ATOM 326 C GLN A 19 0.056 -10.213 -2.365 1.00 0.00 C ATOM 327 O GLN A 19 -0.531 -11.147 -1.853 1.00 0.00 O ATOM 328 CB GLN A 19 0.759 -11.610 -4.341 1.00 0.00 C ATOM 329 CG GLN A 19 0.288 -11.809 -5.782 1.00 0.00 C ATOM 330 CD GLN A 19 -0.103 -13.272 -5.995 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.775 -13.861 -5.172 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.294 -13.890 -7.074 1.00 0.00 N ATOM 0 H GLN A 19 1.431 -8.638 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.513 -9.833 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.839 -11.745 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.306 -12.360 -3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.563 -11.160 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.080 -11.529 -6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.858 -13.397 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.040 -14.866 -7.225 1.00 0.00 H new ATOM 341 N ASP A 20 0.415 -9.164 -1.669 1.00 0.00 N ATOM 342 CA ASP A 20 0.110 -9.087 -0.209 1.00 0.00 C ATOM 343 C ASP A 20 -0.581 -7.759 0.116 1.00 0.00 C ATOM 344 O ASP A 20 -0.250 -6.727 -0.435 1.00 0.00 O ATOM 345 CB ASP A 20 1.470 -9.168 0.485 1.00 0.00 C ATOM 346 CG ASP A 20 1.832 -10.635 0.729 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.537 -11.448 -0.132 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.396 -10.919 1.772 1.00 0.00 O ATOM 0 H ASP A 20 0.907 -8.356 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.561 -9.882 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.233 -8.692 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.440 -8.628 1.431 1.00 0.00 H new ATOM 353 N VAL A 21 -1.522 -7.779 1.026 1.00 0.00 N ATOM 354 CA VAL A 21 -2.222 -6.518 1.417 1.00 0.00 C ATOM 355 C VAL A 21 -1.433 -5.799 2.515 1.00 0.00 C ATOM 356 O VAL A 21 -1.520 -6.145 3.679 1.00 0.00 O ATOM 357 CB VAL A 21 -3.594 -6.964 1.936 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.409 -5.740 2.360 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.344 -7.710 0.829 1.00 0.00 C ATOM 0 H VAL A 21 -1.836 -8.617 1.516 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.315 -5.820 0.585 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.455 -7.623 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.383 -6.061 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.880 -5.207 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.545 -5.079 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.319 -8.026 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.478 -7.050 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.769 -8.585 0.526 1.00 0.00 H new ATOM 369 N GLY A 22 -0.690 -4.784 2.156 1.00 0.00 N ATOM 370 CA GLY A 22 0.081 -4.014 3.177 1.00 0.00 C ATOM 371 C GLY A 22 -0.778 -2.861 3.702 1.00 0.00 C ATOM 372 O GLY A 22 -1.717 -2.434 3.059 1.00 0.00 O ATOM 0 H GLY A 22 -0.584 -4.454 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.372 -4.669 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.000 -3.626 2.738 1.00 0.00 H new ATOM 376 N THR A 23 -0.443 -2.341 4.857 1.00 0.00 N ATOM 377 CA THR A 23 -1.218 -1.197 5.420 1.00 0.00 C ATOM 378 C THR A 23 -0.554 0.130 5.041 1.00 0.00 C ATOM 379 O THR A 23 0.657 0.235 4.995 1.00 0.00 O ATOM 380 CB THR A 23 -1.179 -1.401 6.936 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.588 -2.726 7.243 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.123 -0.403 7.612 1.00 0.00 C ATOM 0 H THR A 23 0.335 -2.661 5.434 1.00 0.00 H new ATOM 0 HA THR A 23 -2.238 -1.162 5.038 1.00 0.00 H new ATOM 0 HB THR A 23 -0.164 -1.240 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.562 -2.860 8.213 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.094 -0.549 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.808 0.613 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.139 -0.562 7.251 1.00 0.00 H new ATOM 390 N VAL A 24 -1.340 1.149 4.801 1.00 0.00 N ATOM 391 CA VAL A 24 -0.763 2.485 4.461 1.00 0.00 C ATOM 392 C VAL A 24 -0.305 3.198 5.738 1.00 0.00 C ATOM 393 O VAL A 24 -1.096 3.474 6.621 1.00 0.00 O ATOM 394 CB VAL A 24 -1.904 3.256 3.788 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.416 4.650 3.384 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.365 2.503 2.538 1.00 0.00 C ATOM 0 H VAL A 24 -2.359 1.113 4.826 1.00 0.00 H new ATOM 0 HA VAL A 24 0.108 2.407 3.810 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.735 3.348 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.229 5.196 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.088 5.192 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.583 4.556 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.176 3.053 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.532 2.409 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.716 1.510 2.820 1.00 0.00 H new ATOM 406 N ALA A 25 0.963 3.506 5.832 1.00 0.00 N ATOM 407 CA ALA A 25 1.480 4.217 7.041 1.00 0.00 C ATOM 408 C ALA A 25 1.264 5.726 6.901 1.00 0.00 C ATOM 409 O ALA A 25 0.832 6.388 7.826 1.00 0.00 O ATOM 410 CB ALA A 25 2.972 3.889 7.085 1.00 0.00 C ATOM 0 H ALA A 25 1.665 3.295 5.122 1.00 0.00 H new ATOM 0 HA ALA A 25 0.968 3.908 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.426 4.376 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.105 2.810 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.450 4.247 6.173 1.00 0.00 H new ATOM 416 N SER A 26 1.544 6.268 5.742 1.00 0.00 N ATOM 417 CA SER A 26 1.338 7.730 5.523 1.00 0.00 C ATOM 418 C SER A 26 1.440 8.061 4.032 1.00 0.00 C ATOM 419 O SER A 26 1.770 7.217 3.222 1.00 0.00 O ATOM 420 CB SER A 26 2.463 8.409 6.302 1.00 0.00 C ATOM 421 OG SER A 26 1.988 8.774 7.591 1.00 0.00 O ATOM 0 H SER A 26 1.907 5.758 4.937 1.00 0.00 H new ATOM 0 HA SER A 26 0.355 8.063 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.315 7.736 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.810 9.292 5.766 1.00 0.00 H new ATOM 0 HG SER A 26 1.371 8.087 7.919 1.00 0.00 H new ATOM 427 N VAL A 27 1.188 9.294 3.671 1.00 0.00 N ATOM 428 CA VAL A 27 1.300 9.701 2.238 1.00 0.00 C ATOM 429 C VAL A 27 2.125 10.987 2.121 1.00 0.00 C ATOM 430 O VAL A 27 2.038 11.867 2.959 1.00 0.00 O ATOM 431 CB VAL A 27 -0.141 9.936 1.773 1.00 0.00 C ATOM 432 CG1 VAL A 27 -0.147 10.351 0.299 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.950 8.646 1.934 1.00 0.00 C ATOM 0 H VAL A 27 0.909 10.039 4.310 1.00 0.00 H new ATOM 0 HA VAL A 27 1.800 8.946 1.631 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.586 10.727 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.173 10.517 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.426 11.270 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.302 9.561 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.975 8.815 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.500 7.857 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.952 8.346 2.982 1.00 0.00 H new ATOM 509 N LYS A 33 9.973 9.444 -5.195 1.00 0.00 N ATOM 510 CA LYS A 33 9.839 8.226 -6.056 1.00 0.00 C ATOM 511 C LYS A 33 8.548 7.470 -5.715 1.00 0.00 C ATOM 512 O LYS A 33 7.977 6.798 -6.554 1.00 0.00 O ATOM 513 CB LYS A 33 11.071 7.366 -5.743 1.00 0.00 C ATOM 514 CG LYS A 33 11.107 7.019 -4.251 1.00 0.00 C ATOM 515 CD LYS A 33 12.158 5.936 -4.003 1.00 0.00 C ATOM 516 CE LYS A 33 12.803 6.153 -2.632 1.00 0.00 C ATOM 517 NZ LYS A 33 14.241 5.815 -2.826 1.00 0.00 N ATOM 0 HA LYS A 33 9.785 8.480 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.046 6.452 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.978 7.902 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.341 7.908 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.127 6.671 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.696 4.950 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.918 5.967 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.681 7.183 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.346 5.515 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.751 5.939 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.326 4.827 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.651 6.443 -3.547 1.00 0.00 H new ATOM 531 N TYR A 34 8.071 7.604 -4.504 1.00 0.00 N ATOM 532 CA TYR A 34 6.797 6.928 -4.115 1.00 0.00 C ATOM 533 C TYR A 34 5.967 7.844 -3.201 1.00 0.00 C ATOM 534 O TYR A 34 6.186 7.875 -2.007 1.00 0.00 O ATOM 535 CB TYR A 34 7.231 5.669 -3.363 1.00 0.00 C ATOM 536 CG TYR A 34 7.951 4.735 -4.308 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.343 4.340 -5.506 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.228 4.261 -3.984 1.00 0.00 C ATOM 539 CE1 TYR A 34 8.011 3.474 -6.379 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.897 3.395 -4.858 1.00 0.00 C ATOM 541 CZ TYR A 34 9.288 3.001 -6.055 1.00 0.00 C ATOM 542 OH TYR A 34 9.947 2.147 -6.916 1.00 0.00 O ATOM 0 H TYR A 34 8.510 8.154 -3.766 1.00 0.00 H new ATOM 0 HA TYR A 34 6.174 6.693 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.884 5.937 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.361 5.170 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.358 4.704 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.697 4.563 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.541 3.171 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.883 3.031 -4.608 1.00 0.00 H new ATOM 0 HH TYR A 34 10.822 1.915 -6.541 1.00 0.00 H new ATOM 552 N PRO A 35 5.031 8.568 -3.789 1.00 0.00 N ATOM 553 CA PRO A 35 4.170 9.490 -2.994 1.00 0.00 C ATOM 554 C PRO A 35 3.512 8.756 -1.817 1.00 0.00 C ATOM 555 O PRO A 35 3.148 9.361 -0.826 1.00 0.00 O ATOM 556 CB PRO A 35 3.112 9.946 -3.996 1.00 0.00 C ATOM 557 CG PRO A 35 3.752 9.779 -5.335 1.00 0.00 C ATOM 558 CD PRO A 35 4.689 8.607 -5.221 1.00 0.00 C ATOM 0 HA PRO A 35 4.733 10.315 -2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.206 9.346 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.825 10.983 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.000 9.601 -6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.293 10.681 -5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.213 7.681 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.576 8.742 -5.840 1.00 0.00 H new ATOM 566 N VAL A 36 3.311 7.469 -1.945 1.00 0.00 N ATOM 567 CA VAL A 36 2.620 6.703 -0.863 1.00 0.00 C ATOM 568 C VAL A 36 3.605 5.747 -0.184 1.00 0.00 C ATOM 569 O VAL A 36 4.621 5.387 -0.747 1.00 0.00 O ATOM 570 CB VAL A 36 1.507 5.921 -1.574 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.719 5.100 -0.550 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.558 6.900 -2.272 1.00 0.00 C ATOM 0 H VAL A 36 3.596 6.915 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 36 2.222 7.354 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 36 1.953 5.254 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.070 4.546 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.390 4.401 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.276 5.768 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.232 6.344 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.116 7.568 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.114 7.486 -3.004 1.00 0.00 H new ATOM 582 N ILE A 37 3.295 5.316 1.014 1.00 0.00 N ATOM 583 CA ILE A 37 4.193 4.358 1.728 1.00 0.00 C ATOM 584 C ILE A 37 3.364 3.223 2.340 1.00 0.00 C ATOM 585 O ILE A 37 2.256 3.430 2.797 1.00 0.00 O ATOM 586 CB ILE A 37 4.872 5.186 2.824 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.658 6.337 2.187 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.835 4.298 3.619 1.00 0.00 C ATOM 589 CD1 ILE A 37 4.790 7.596 2.159 1.00 0.00 C ATOM 0 H ILE A 37 2.457 5.587 1.529 1.00 0.00 H new ATOM 0 HA ILE A 37 4.923 3.897 1.062 1.00 0.00 H new ATOM 0 HB ILE A 37 4.110 5.588 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.571 6.525 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.960 6.068 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.316 4.889 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.281 3.478 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.594 3.894 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.350 8.414 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.890 7.405 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.510 7.868 3.177 1.00 0.00 H new ATOM 601 N VAL A 38 3.900 2.029 2.355 1.00 0.00 N ATOM 602 CA VAL A 38 3.153 0.874 2.942 1.00 0.00 C ATOM 603 C VAL A 38 3.982 0.229 4.058 1.00 0.00 C ATOM 604 O VAL A 38 5.196 0.293 4.055 1.00 0.00 O ATOM 605 CB VAL A 38 2.951 -0.106 1.781 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.177 -1.332 2.270 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.157 0.578 0.663 1.00 0.00 C ATOM 0 H VAL A 38 4.824 1.803 1.986 1.00 0.00 H new ATOM 0 HA VAL A 38 2.203 1.175 3.383 1.00 0.00 H new ATOM 0 HB VAL A 38 3.925 -0.416 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.035 -2.027 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.739 -1.824 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.205 -1.020 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.014 -0.120 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.186 0.891 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.706 1.451 0.309 1.00 0.00 H new ATOM 617 N ARG A 39 3.333 -0.438 4.978 1.00 0.00 N ATOM 618 CA ARG A 39 4.076 -1.147 6.062 1.00 0.00 C ATOM 619 C ARG A 39 3.850 -2.658 5.958 1.00 0.00 C ATOM 620 O ARG A 39 2.735 -3.116 5.786 1.00 0.00 O ATOM 621 CB ARG A 39 3.487 -0.606 7.366 1.00 0.00 C ATOM 622 CG ARG A 39 4.238 -1.207 8.555 1.00 0.00 C ATOM 623 CD ARG A 39 3.593 -0.735 9.860 1.00 0.00 C ATOM 624 NE ARG A 39 4.534 -1.168 10.939 1.00 0.00 N ATOM 625 CZ ARG A 39 4.134 -1.296 12.189 1.00 0.00 C ATOM 626 NH1 ARG A 39 2.906 -1.005 12.552 1.00 0.00 N ATOM 627 NH2 ARG A 39 4.981 -1.718 13.088 1.00 0.00 N ATOM 0 H ARG A 39 2.318 -0.522 5.025 1.00 0.00 H new ATOM 0 HA ARG A 39 5.152 -0.982 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.562 0.481 7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.427 -0.854 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.216 -2.295 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.286 -0.907 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.459 0.347 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.607 -1.179 9.995 1.00 0.00 H new ATOM 0 HE ARG A 39 5.506 -1.369 10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.235 -0.671 11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.623 -1.113 13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.939 -1.944 12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.685 -1.822 14.059 1.00 0.00 H new ATOM 641 N PHE A 40 4.899 -3.432 6.073 1.00 0.00 N ATOM 642 CA PHE A 40 4.753 -4.916 5.996 1.00 0.00 C ATOM 643 C PHE A 40 5.112 -5.553 7.341 1.00 0.00 C ATOM 644 O PHE A 40 5.755 -4.942 8.174 1.00 0.00 O ATOM 645 CB PHE A 40 5.743 -5.356 4.915 1.00 0.00 C ATOM 646 CG PHE A 40 5.345 -4.753 3.589 1.00 0.00 C ATOM 647 CD1 PHE A 40 4.058 -4.968 3.079 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.263 -3.980 2.869 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.691 -4.408 1.850 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.895 -3.421 1.639 1.00 0.00 C ATOM 651 CZ PHE A 40 4.609 -3.636 1.130 1.00 0.00 C ATOM 0 H PHE A 40 5.852 -3.099 6.217 1.00 0.00 H new ATOM 0 HA PHE A 40 3.732 -5.219 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.752 -5.041 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.758 -6.443 4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.350 -5.565 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.255 -3.815 3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.698 -4.572 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.603 -2.824 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.325 -3.206 0.181 1.00 0.00 H new ATOM 661 N GLU A 41 4.760 -6.800 7.528 1.00 0.00 N ATOM 662 CA GLU A 41 5.142 -7.512 8.784 1.00 0.00 C ATOM 663 C GLU A 41 6.212 -8.567 8.488 1.00 0.00 C ATOM 664 O GLU A 41 7.047 -8.866 9.322 1.00 0.00 O ATOM 665 CB GLU A 41 3.854 -8.177 9.270 1.00 0.00 C ATOM 666 CG GLU A 41 3.043 -7.178 10.097 1.00 0.00 C ATOM 667 CD GLU A 41 2.027 -7.931 10.957 1.00 0.00 C ATOM 668 OE1 GLU A 41 2.415 -8.904 11.583 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.877 -7.523 10.974 1.00 0.00 O ATOM 0 H GLU A 41 4.223 -7.356 6.863 1.00 0.00 H new ATOM 0 HA GLU A 41 5.559 -6.837 9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.267 -8.522 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.090 -9.055 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.707 -6.591 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.529 -6.477 9.439 1.00 0.00 H new ATOM 676 N LYS A 42 6.211 -9.106 7.295 1.00 0.00 N ATOM 677 CA LYS A 42 7.246 -10.116 6.922 1.00 0.00 C ATOM 678 C LYS A 42 8.519 -9.415 6.440 1.00 0.00 C ATOM 679 O LYS A 42 8.477 -8.574 5.560 1.00 0.00 O ATOM 680 CB LYS A 42 6.618 -10.924 5.786 1.00 0.00 C ATOM 681 CG LYS A 42 7.107 -12.372 5.858 1.00 0.00 C ATOM 682 CD LYS A 42 8.600 -12.424 5.533 1.00 0.00 C ATOM 683 CE LYS A 42 9.014 -13.872 5.259 1.00 0.00 C ATOM 684 NZ LYS A 42 10.438 -13.791 4.833 1.00 0.00 N ATOM 0 H LYS A 42 5.536 -8.889 6.562 1.00 0.00 H new ATOM 0 HA LYS A 42 7.530 -10.747 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.531 -10.892 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.884 -10.486 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.926 -12.779 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.549 -12.991 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.815 -11.803 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.178 -12.021 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.903 -14.490 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.394 -14.319 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.971 -14.580 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.494 -13.847 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.845 -12.889 5.153 1.00 0.00 H new ATOM 698 N VAL A 43 9.656 -9.819 6.946 1.00 0.00 N ATOM 699 CA VAL A 43 10.948 -9.250 6.449 1.00 0.00 C ATOM 700 C VAL A 43 11.183 -9.667 4.994 1.00 0.00 C ATOM 701 O VAL A 43 10.295 -10.176 4.335 1.00 0.00 O ATOM 702 CB VAL A 43 12.032 -9.831 7.365 1.00 0.00 C ATOM 703 CG1 VAL A 43 11.784 -9.372 8.802 1.00 0.00 C ATOM 704 CG2 VAL A 43 12.002 -11.364 7.311 1.00 0.00 C ATOM 0 H VAL A 43 9.747 -10.519 7.682 1.00 0.00 H new ATOM 0 HA VAL A 43 10.951 -8.160 6.471 1.00 0.00 H new ATOM 0 HB VAL A 43 13.007 -9.480 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.554 -9.785 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.816 -8.283 8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.805 -9.720 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.776 -11.766 7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.026 -11.721 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.183 -11.696 6.289 1.00 0.00 H new ATOM 714 N ASN A 44 12.387 -9.504 4.509 1.00 0.00 N ATOM 715 CA ASN A 44 12.707 -9.946 3.117 1.00 0.00 C ATOM 716 C ASN A 44 14.197 -10.281 2.995 1.00 0.00 C ATOM 717 O ASN A 44 14.904 -10.371 3.981 1.00 0.00 O ATOM 718 CB ASN A 44 12.340 -8.755 2.222 1.00 0.00 C ATOM 719 CG ASN A 44 13.147 -7.515 2.629 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.784 -7.497 3.664 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.145 -6.468 1.849 1.00 0.00 N ATOM 0 H ASN A 44 13.165 -9.083 5.018 1.00 0.00 H new ATOM 0 HA ASN A 44 12.160 -10.845 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.539 -9.000 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.273 -8.546 2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.677 -5.638 2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.611 -6.481 0.980 1.00 0.00 H new ATOM 728 N TYR A 45 14.663 -10.516 1.794 1.00 0.00 N ATOM 729 CA TYR A 45 16.095 -10.906 1.603 1.00 0.00 C ATOM 730 C TYR A 45 17.019 -9.794 2.108 1.00 0.00 C ATOM 731 O TYR A 45 18.135 -10.046 2.525 1.00 0.00 O ATOM 732 CB TYR A 45 16.264 -11.095 0.093 1.00 0.00 C ATOM 733 CG TYR A 45 15.382 -12.229 -0.374 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.608 -13.529 0.092 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.338 -11.980 -1.272 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.791 -14.580 -0.340 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.520 -13.031 -1.704 1.00 0.00 C ATOM 738 CZ TYR A 45 13.747 -14.331 -1.239 1.00 0.00 C ATOM 739 OH TYR A 45 12.941 -15.367 -1.664 1.00 0.00 O ATOM 0 H TYR A 45 14.114 -10.455 0.937 1.00 0.00 H new ATOM 0 HA TYR A 45 16.350 -11.810 2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.001 -10.176 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.306 -11.310 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.413 -13.721 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.163 -10.977 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.966 -15.583 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.714 -12.838 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 45 12.265 -15.022 -2.285 1.00 0.00 H new ATOM 749 N SER A 46 16.564 -8.568 2.069 1.00 0.00 N ATOM 750 CA SER A 46 17.411 -7.431 2.539 1.00 0.00 C ATOM 751 C SER A 46 17.303 -7.283 4.060 1.00 0.00 C ATOM 752 O SER A 46 18.210 -6.798 4.710 1.00 0.00 O ATOM 753 CB SER A 46 16.846 -6.197 1.838 1.00 0.00 C ATOM 754 OG SER A 46 17.447 -6.070 0.557 1.00 0.00 O ATOM 0 H SER A 46 15.639 -8.305 1.730 1.00 0.00 H new ATOM 0 HA SER A 46 18.466 -7.581 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.764 -6.284 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.040 -5.305 2.434 1.00 0.00 H new ATOM 0 HG SER A 46 17.086 -5.280 0.103 1.00 0.00 H new ATOM 760 N GLY A 47 16.187 -7.671 4.624 1.00 0.00 N ATOM 761 CA GLY A 47 15.999 -7.528 6.099 1.00 0.00 C ATOM 762 C GLY A 47 15.299 -6.201 6.397 1.00 0.00 C ATOM 763 O GLY A 47 15.746 -5.428 7.224 1.00 0.00 O ATOM 0 H GLY A 47 15.397 -8.081 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.407 -8.358 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.964 -7.564 6.605 1.00 0.00 H new ATOM 767 N ILE A 55 14.216 -5.927 5.718 1.00 0.00 N ATOM 768 CA ILE A 55 13.490 -4.640 5.939 1.00 0.00 C ATOM 769 C ILE A 55 12.056 -4.921 6.404 1.00 0.00 C ATOM 770 O ILE A 55 11.568 -6.030 6.298 1.00 0.00 O ATOM 771 CB ILE A 55 13.490 -3.939 4.576 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.933 -3.698 4.120 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.767 -2.593 4.685 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.951 -3.403 2.619 1.00 0.00 C ATOM 0 H ILE A 55 13.801 -6.541 5.017 1.00 0.00 H new ATOM 0 HA ILE A 55 13.960 -4.026 6.707 1.00 0.00 H new ATOM 0 HB ILE A 55 12.977 -4.571 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.365 -2.863 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.545 -4.573 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.770 -2.099 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.738 -2.757 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.278 -1.964 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.977 -3.231 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.536 -4.252 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.353 -2.515 2.416 1.00 0.00 H new ATOM 786 N ASN A 56 11.374 -3.915 6.888 1.00 0.00 N ATOM 787 CA ASN A 56 9.958 -4.107 7.329 1.00 0.00 C ATOM 788 C ASN A 56 9.038 -3.094 6.635 1.00 0.00 C ATOM 789 O ASN A 56 7.935 -3.420 6.237 1.00 0.00 O ATOM 790 CB ASN A 56 9.972 -3.881 8.846 1.00 0.00 C ATOM 791 CG ASN A 56 10.491 -2.475 9.166 1.00 0.00 C ATOM 792 OD1 ASN A 56 9.719 -1.576 9.432 1.00 0.00 O ATOM 793 ND2 ASN A 56 11.776 -2.248 9.152 1.00 0.00 N ATOM 0 H ASN A 56 11.736 -2.968 6.997 1.00 0.00 H new ATOM 0 HA ASN A 56 9.581 -5.097 7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.967 -4.006 9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.604 -4.628 9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.132 -1.316 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.425 -3.003 8.929 1.00 0.00 H new ATOM 800 N THR A 57 9.485 -1.872 6.489 1.00 0.00 N ATOM 801 CA THR A 57 8.642 -0.835 5.821 1.00 0.00 C ATOM 802 C THR A 57 9.277 -0.408 4.495 1.00 0.00 C ATOM 803 O THR A 57 10.485 -0.406 4.349 1.00 0.00 O ATOM 804 CB THR A 57 8.608 0.338 6.803 1.00 0.00 C ATOM 805 OG1 THR A 57 9.938 0.717 7.129 1.00 0.00 O ATOM 806 CG2 THR A 57 7.865 -0.075 8.074 1.00 0.00 C ATOM 0 H THR A 57 10.399 -1.548 6.804 1.00 0.00 H new ATOM 0 HA THR A 57 7.642 -1.202 5.588 1.00 0.00 H new ATOM 0 HB THR A 57 8.091 1.181 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.919 1.469 7.757 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.843 0.763 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.845 -0.364 7.821 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.377 -0.919 8.537 1.00 0.00 H new ATOM 814 N ASN A 58 8.471 0.001 3.548 1.00 0.00 N ATOM 815 CA ASN A 58 9.021 0.489 2.247 1.00 0.00 C ATOM 816 C ASN A 58 8.133 1.600 1.682 1.00 0.00 C ATOM 817 O ASN A 58 7.197 2.043 2.321 1.00 0.00 O ATOM 818 CB ASN A 58 9.002 -0.733 1.327 1.00 0.00 C ATOM 819 CG ASN A 58 10.376 -1.405 1.339 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.706 -2.169 2.344 1.00 0.00 O flip ATOM 821 ND2 ASN A 58 11.158 -1.233 0.425 1.00 0.00 N flip ATOM 0 H ASN A 58 7.454 0.018 3.620 1.00 0.00 H new ATOM 0 HA ASN A 58 10.023 0.906 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.238 -1.437 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.742 -0.433 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.901 -0.636 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.072 -1.686 0.444 1.00 0.00 H new ATOM 828 N ASN A 59 8.422 2.053 0.488 1.00 0.00 N ATOM 829 CA ASN A 59 7.600 3.138 -0.127 1.00 0.00 C ATOM 830 C ASN A 59 7.100 2.706 -1.508 1.00 0.00 C ATOM 831 O ASN A 59 7.848 2.181 -2.311 1.00 0.00 O ATOM 832 CB ASN A 59 8.548 4.332 -0.249 1.00 0.00 C ATOM 833 CG ASN A 59 9.010 4.763 1.144 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.518 3.961 1.904 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.857 6.005 1.513 1.00 0.00 N ATOM 0 H ASN A 59 9.194 1.717 -0.088 1.00 0.00 H new ATOM 0 HA ASN A 59 6.719 3.376 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.409 4.065 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.045 5.160 -0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.164 6.303 2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.431 6.678 0.875 1.00 0.00 H new ATOM 842 N PHE A 60 5.842 2.935 -1.790 1.00 0.00 N ATOM 843 CA PHE A 60 5.286 2.552 -3.123 1.00 0.00 C ATOM 844 C PHE A 60 4.480 3.712 -3.713 1.00 0.00 C ATOM 845 O PHE A 60 3.957 4.544 -2.995 1.00 0.00 O ATOM 846 CB PHE A 60 4.375 1.355 -2.845 1.00 0.00 C ATOM 847 CG PHE A 60 5.197 0.209 -2.305 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.566 0.189 -0.955 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.588 -0.834 -3.154 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.327 -0.874 -0.453 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.349 -1.897 -2.651 1.00 0.00 C ATOM 852 CZ PHE A 60 6.718 -1.916 -1.301 1.00 0.00 C ATOM 0 H PHE A 60 5.175 3.371 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 60 6.069 2.310 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.602 1.632 -2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.866 1.052 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.264 0.993 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.303 -0.819 -4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.612 -0.890 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.651 -2.702 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.305 -2.736 -0.914 1.00 0.00 H new ATOM 862 N ALA A 61 4.348 3.750 -5.015 1.00 0.00 N ATOM 863 CA ALA A 61 3.540 4.829 -5.661 1.00 0.00 C ATOM 864 C ALA A 61 2.049 4.487 -5.590 1.00 0.00 C ATOM 865 O ALA A 61 1.669 3.331 -5.590 1.00 0.00 O ATOM 866 CB ALA A 61 4.013 4.864 -7.115 1.00 0.00 C ATOM 0 H ALA A 61 4.766 3.079 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 61 3.669 5.792 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.465 5.634 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.079 5.088 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.833 3.895 -7.580 1.00 0.00 H new ATOM 872 N GLU A 62 1.206 5.486 -5.512 1.00 0.00 N ATOM 873 CA GLU A 62 -0.267 5.227 -5.421 1.00 0.00 C ATOM 874 C GLU A 62 -0.748 4.446 -6.652 1.00 0.00 C ATOM 875 O GLU A 62 -1.678 3.666 -6.574 1.00 0.00 O ATOM 876 CB GLU A 62 -0.924 6.612 -5.364 1.00 0.00 C ATOM 877 CG GLU A 62 -0.559 7.423 -6.612 1.00 0.00 C ATOM 878 CD GLU A 62 -1.423 8.683 -6.672 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.563 9.330 -5.649 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.930 8.979 -7.742 1.00 0.00 O ATOM 0 H GLU A 62 1.473 6.471 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.522 4.627 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.007 6.506 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.597 7.141 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.497 7.694 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.712 6.821 -7.508 1.00 0.00 H new ATOM 887 N ASP A 63 -0.071 4.596 -7.762 1.00 0.00 N ATOM 888 CA ASP A 63 -0.430 3.800 -8.977 1.00 0.00 C ATOM 889 C ASP A 63 -0.084 2.318 -8.770 1.00 0.00 C ATOM 890 O ASP A 63 -0.636 1.450 -9.420 1.00 0.00 O ATOM 891 CB ASP A 63 0.403 4.398 -10.118 1.00 0.00 C ATOM 892 CG ASP A 63 1.895 4.303 -9.786 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.409 3.196 -9.769 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.497 5.338 -9.555 1.00 0.00 O ATOM 0 H ASP A 63 0.715 5.235 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.498 3.846 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.195 3.868 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.123 5.440 -10.276 1.00 0.00 H new ATOM 899 N GLU A 64 0.845 2.029 -7.891 1.00 0.00 N ATOM 900 CA GLU A 64 1.251 0.609 -7.662 1.00 0.00 C ATOM 901 C GLU A 64 0.500 0.025 -6.462 1.00 0.00 C ATOM 902 O GLU A 64 0.957 -0.909 -5.831 1.00 0.00 O ATOM 903 CB GLU A 64 2.752 0.670 -7.376 1.00 0.00 C ATOM 904 CG GLU A 64 3.529 0.659 -8.697 1.00 0.00 C ATOM 905 CD GLU A 64 4.759 1.561 -8.577 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.317 1.628 -7.494 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.120 2.171 -9.569 1.00 0.00 O ATOM 0 H GLU A 64 1.339 2.717 -7.322 1.00 0.00 H new ATOM 0 HA GLU A 64 1.022 -0.027 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.988 1.572 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.050 -0.179 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.834 -0.358 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.890 1.005 -9.509 1.00 0.00 H new ATOM 914 N LEU A 65 -0.676 0.530 -6.181 1.00 0.00 N ATOM 915 CA LEU A 65 -1.492 -0.037 -5.066 1.00 0.00 C ATOM 916 C LEU A 65 -2.963 -0.134 -5.483 1.00 0.00 C ATOM 917 O LEU A 65 -3.465 0.701 -6.212 1.00 0.00 O ATOM 918 CB LEU A 65 -1.328 0.951 -3.910 1.00 0.00 C ATOM 919 CG LEU A 65 0.110 0.898 -3.391 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.310 1.982 -2.330 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.380 -0.474 -2.771 1.00 0.00 C ATOM 0 H LEU A 65 -1.105 1.311 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.172 -1.042 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.568 1.960 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.024 0.707 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 65 0.799 1.066 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.335 1.944 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.119 2.961 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.381 1.814 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.405 -0.511 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.310 -0.642 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.238 -1.248 -3.525 1.00 0.00 H new ATOM 933 N VAL A 66 -3.666 -1.116 -4.978 1.00 0.00 N ATOM 934 CA VAL A 66 -5.124 -1.237 -5.288 1.00 0.00 C ATOM 935 C VAL A 66 -5.923 -1.386 -3.991 1.00 0.00 C ATOM 936 O VAL A 66 -5.612 -2.212 -3.153 1.00 0.00 O ATOM 937 CB VAL A 66 -5.247 -2.498 -6.150 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.712 -2.718 -6.539 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.409 -2.337 -7.422 1.00 0.00 C ATOM 0 H VAL A 66 -3.293 -1.840 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.514 -0.359 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.888 -3.355 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.795 -3.616 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.314 -2.837 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.071 -1.858 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.499 -3.235 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.767 -1.477 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.364 -2.184 -7.152 1.00 0.00 H new ATOM 949 N GLU A 67 -6.975 -0.621 -3.841 1.00 0.00 N ATOM 950 CA GLU A 67 -7.831 -0.745 -2.621 1.00 0.00 C ATOM 951 C GLU A 67 -8.621 -2.055 -2.663 1.00 0.00 C ATOM 952 O GLU A 67 -9.427 -2.274 -3.548 1.00 0.00 O ATOM 953 CB GLU A 67 -8.778 0.456 -2.670 1.00 0.00 C ATOM 954 CG GLU A 67 -9.016 0.977 -1.252 1.00 0.00 C ATOM 955 CD GLU A 67 -10.208 1.936 -1.253 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.047 3.049 -1.725 1.00 0.00 O ATOM 957 OE2 GLU A 67 -11.262 1.541 -0.781 1.00 0.00 O ATOM 0 H GLU A 67 -7.279 0.085 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.242 -0.757 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.352 1.244 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.725 0.167 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.206 0.144 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.125 1.488 -0.887 1.00 0.00 H new ATOM 964 N VAL A 68 -8.393 -2.926 -1.713 1.00 0.00 N ATOM 965 CA VAL A 68 -9.124 -4.229 -1.691 1.00 0.00 C ATOM 966 C VAL A 68 -10.106 -4.269 -0.515 1.00 0.00 C ATOM 967 O VAL A 68 -10.331 -5.307 0.080 1.00 0.00 O ATOM 968 CB VAL A 68 -8.038 -5.300 -1.531 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.092 -5.250 -2.731 1.00 0.00 C ATOM 970 CG2 VAL A 68 -7.239 -5.050 -0.246 1.00 0.00 C ATOM 0 H VAL A 68 -7.730 -2.790 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.712 -4.385 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.511 -6.280 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.320 -6.011 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.654 -5.437 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.626 -4.266 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.470 -5.815 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.769 -4.068 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.909 -5.089 0.613 1.00 0.00 H new