USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 160:sc= 0.141 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 37:sc= 1.03 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.559 K(o=-0.56,f=-16!) 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 56 ASN : amide:sc= -0.88 X(o=-0.88,f=-0.91) USER MOD Single : A 57 THR OG1 : rot 30:sc= 0.228 USER MOD Single : A 58 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.8!) USER MOD Single : A 59 ASN : amide:sc= -3.27 K(o=-3.3,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.161 -0.275 3.354 1.00 0.00 N ATOM 96 CA LYS A 7 -5.233 -1.385 2.983 1.00 0.00 C ATOM 97 C LYS A 7 -5.280 -1.630 1.473 1.00 0.00 C ATOM 98 O LYS A 7 -6.321 -1.924 0.915 1.00 0.00 O ATOM 99 CB LYS A 7 -5.755 -2.607 3.740 1.00 0.00 C ATOM 100 CG LYS A 7 -5.286 -2.544 5.196 1.00 0.00 C ATOM 101 CD LYS A 7 -6.360 -3.146 6.105 1.00 0.00 C ATOM 102 CE LYS A 7 -6.495 -4.643 5.815 1.00 0.00 C ATOM 103 NZ LYS A 7 -7.954 -4.926 5.931 1.00 0.00 N ATOM 0 HA LYS A 7 -4.197 -1.160 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.844 -2.636 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.393 -3.521 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.349 -3.089 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.090 -1.510 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.095 -2.990 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.314 -2.645 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.123 -4.888 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.920 -5.237 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.128 -5.934 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.278 -4.689 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.475 -4.352 5.238 1.00 0.00 H new ATOM 117 N VAL A 8 -4.154 -1.531 0.812 1.00 0.00 N ATOM 118 CA VAL A 8 -4.118 -1.779 -0.661 1.00 0.00 C ATOM 119 C VAL A 8 -3.138 -2.912 -0.985 1.00 0.00 C ATOM 120 O VAL A 8 -2.182 -3.139 -0.268 1.00 0.00 O ATOM 121 CB VAL A 8 -3.650 -0.459 -1.284 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.660 0.643 -0.957 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.278 -0.071 -0.721 1.00 0.00 C ATOM 0 H VAL A 8 -3.256 -1.288 1.231 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.090 -2.083 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.573 -0.582 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.329 1.583 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.635 0.375 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.736 0.758 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.953 0.868 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.349 0.048 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.555 -0.853 -0.953 1.00 0.00 H new ATOM 133 N ARG A 9 -3.355 -3.602 -2.077 1.00 0.00 N ATOM 134 CA ARG A 9 -2.422 -4.698 -2.475 1.00 0.00 C ATOM 135 C ARG A 9 -1.174 -4.114 -3.142 1.00 0.00 C ATOM 136 O ARG A 9 -1.230 -3.084 -3.787 1.00 0.00 O ATOM 137 CB ARG A 9 -3.212 -5.552 -3.469 1.00 0.00 C ATOM 138 CG ARG A 9 -3.966 -6.649 -2.715 1.00 0.00 C ATOM 139 CD ARG A 9 -4.365 -7.759 -3.691 1.00 0.00 C ATOM 140 NE ARG A 9 -5.704 -8.224 -3.219 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.832 -8.968 -2.138 1.00 0.00 C ATOM 142 NH1 ARG A 9 -4.787 -9.370 -1.451 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.026 -9.315 -1.741 1.00 0.00 N ATOM 0 H ARG A 9 -4.140 -3.452 -2.711 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.081 -5.281 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.914 -4.928 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.536 -5.997 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.339 -7.056 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.854 -6.233 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.414 -7.386 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.639 -8.572 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.537 -7.960 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.848 -9.107 -1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.915 -9.945 -0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.846 -9.011 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.139 -9.890 -0.906 1.00 0.00 H new ATOM 157 N ILE A 10 -0.055 -4.781 -3.011 1.00 0.00 N ATOM 158 CA ILE A 10 1.198 -4.287 -3.659 1.00 0.00 C ATOM 159 C ILE A 10 1.326 -4.874 -5.069 1.00 0.00 C ATOM 160 O ILE A 10 1.398 -6.075 -5.245 1.00 0.00 O ATOM 161 CB ILE A 10 2.337 -4.786 -2.759 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.160 -4.234 -1.333 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.684 -4.322 -3.325 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.169 -2.699 -1.346 1.00 0.00 C ATOM 0 H ILE A 10 0.045 -5.648 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 10 1.211 -3.202 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 10 2.313 -5.875 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.222 -4.595 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.961 -4.603 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.490 -4.678 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.815 -4.725 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.706 -3.233 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.043 -2.326 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.118 -2.344 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.352 -2.336 -1.970 1.00 0.00 H new ATOM 176 N LEU A 11 1.370 -4.030 -6.069 1.00 0.00 N ATOM 177 CA LEU A 11 1.512 -4.528 -7.470 1.00 0.00 C ATOM 178 C LEU A 11 2.960 -4.372 -7.941 1.00 0.00 C ATOM 179 O LEU A 11 3.216 -4.032 -9.081 1.00 0.00 O ATOM 180 CB LEU A 11 0.577 -3.641 -8.302 1.00 0.00 C ATOM 181 CG LEU A 11 -0.858 -4.193 -8.275 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.887 -5.600 -8.879 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.369 -4.246 -6.831 1.00 0.00 C ATOM 0 H LEU A 11 1.314 -3.016 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 11 1.260 -5.585 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.589 -2.624 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.934 -3.591 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.500 -3.536 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.907 -5.985 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.537 -5.560 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.238 -6.258 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.386 -4.638 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.723 -4.895 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.362 -3.243 -6.405 1.00 0.00 H new ATOM 195 N ARG A 12 3.906 -4.668 -7.085 1.00 0.00 N ATOM 196 CA ARG A 12 5.341 -4.596 -7.492 1.00 0.00 C ATOM 197 C ARG A 12 5.979 -5.994 -7.439 1.00 0.00 C ATOM 198 O ARG A 12 6.502 -6.387 -6.415 1.00 0.00 O ATOM 199 CB ARG A 12 5.996 -3.668 -6.468 1.00 0.00 C ATOM 200 CG ARG A 12 7.076 -2.829 -7.156 1.00 0.00 C ATOM 201 CD ARG A 12 7.544 -1.720 -6.209 1.00 0.00 C ATOM 202 NE ARG A 12 8.811 -2.236 -5.602 1.00 0.00 N ATOM 203 CZ ARG A 12 9.698 -1.421 -5.064 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.490 -0.125 -4.998 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.808 -1.912 -4.586 1.00 0.00 N ATOM 0 H ARG A 12 3.745 -4.957 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 12 5.464 -4.230 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.246 -3.017 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.435 -4.253 -5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.918 -3.461 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.683 -2.395 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.716 -0.788 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.796 -1.513 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 12 8.993 -3.240 -5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.626 0.272 -5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.192 0.483 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.982 -2.916 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.501 -1.292 -4.168 1.00 0.00 H new ATOM 219 N PRO A 13 5.918 -6.709 -8.547 1.00 0.00 N ATOM 220 CA PRO A 13 6.506 -8.079 -8.604 1.00 0.00 C ATOM 221 C PRO A 13 7.968 -8.070 -8.139 1.00 0.00 C ATOM 222 O PRO A 13 8.468 -9.052 -7.622 1.00 0.00 O ATOM 223 CB PRO A 13 6.417 -8.447 -10.083 1.00 0.00 C ATOM 224 CG PRO A 13 5.303 -7.611 -10.622 1.00 0.00 C ATOM 225 CD PRO A 13 5.305 -6.329 -9.832 1.00 0.00 C ATOM 0 HA PRO A 13 5.988 -8.785 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.354 -8.237 -10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.212 -9.510 -10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.447 -7.412 -11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.348 -8.127 -10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.879 -5.550 -10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.295 -5.942 -9.695 1.00 0.00 H new ATOM 233 N GLU A 14 8.638 -6.954 -8.279 1.00 0.00 N ATOM 234 CA GLU A 14 10.051 -6.858 -7.802 1.00 0.00 C ATOM 235 C GLU A 14 10.091 -6.796 -6.272 1.00 0.00 C ATOM 236 O GLU A 14 11.053 -7.212 -5.653 1.00 0.00 O ATOM 237 CB GLU A 14 10.589 -5.559 -8.404 1.00 0.00 C ATOM 238 CG GLU A 14 11.226 -5.852 -9.765 1.00 0.00 C ATOM 239 CD GLU A 14 10.179 -5.675 -10.866 1.00 0.00 C ATOM 240 OE1 GLU A 14 9.337 -6.548 -11.000 1.00 0.00 O ATOM 241 OE2 GLU A 14 10.238 -4.672 -11.558 1.00 0.00 O ATOM 0 H GLU A 14 8.267 -6.104 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 14 10.645 -7.722 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.781 -4.836 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.325 -5.113 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.067 -5.181 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.620 -6.868 -9.783 1.00 0.00 H new ATOM 248 N SER A 15 9.051 -6.288 -5.661 1.00 0.00 N ATOM 249 CA SER A 15 9.019 -6.207 -4.169 1.00 0.00 C ATOM 250 C SER A 15 8.808 -7.599 -3.567 1.00 0.00 C ATOM 251 O SER A 15 7.986 -8.366 -4.032 1.00 0.00 O ATOM 252 CB SER A 15 7.833 -5.298 -3.841 1.00 0.00 C ATOM 253 OG SER A 15 7.797 -5.060 -2.440 1.00 0.00 O ATOM 0 H SER A 15 8.222 -5.925 -6.131 1.00 0.00 H new ATOM 0 HA SER A 15 9.952 -5.821 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.923 -4.355 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.903 -5.763 -4.167 1.00 0.00 H new ATOM 0 HG SER A 15 7.272 -4.253 -2.259 1.00 0.00 H new ATOM 259 N TYR A 16 9.495 -7.898 -2.493 1.00 0.00 N ATOM 260 CA TYR A 16 9.284 -9.210 -1.803 1.00 0.00 C ATOM 261 C TYR A 16 7.832 -9.333 -1.330 1.00 0.00 C ATOM 262 O TYR A 16 7.313 -10.423 -1.175 1.00 0.00 O ATOM 263 CB TYR A 16 10.239 -9.192 -0.606 1.00 0.00 C ATOM 264 CG TYR A 16 10.166 -10.515 0.121 1.00 0.00 C ATOM 265 CD1 TYR A 16 10.933 -11.600 -0.320 1.00 0.00 C ATOM 266 CD2 TYR A 16 9.331 -10.655 1.235 1.00 0.00 C ATOM 267 CE1 TYR A 16 10.865 -12.825 0.354 1.00 0.00 C ATOM 268 CE2 TYR A 16 9.262 -11.881 1.909 1.00 0.00 C ATOM 269 CZ TYR A 16 10.029 -12.966 1.468 1.00 0.00 C ATOM 270 OH TYR A 16 9.961 -14.173 2.132 1.00 0.00 O ATOM 0 H TYR A 16 10.193 -7.291 -2.063 1.00 0.00 H new ATOM 0 HA TYR A 16 9.476 -10.056 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.259 -9.007 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.975 -8.379 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 16 11.577 -11.492 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.740 -9.818 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.458 -13.662 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.617 -11.989 2.769 1.00 0.00 H new ATOM 0 HH TYR A 16 9.335 -14.099 2.882 1.00 0.00 H new ATOM 280 N TRP A 17 7.190 -8.224 -1.060 1.00 0.00 N ATOM 281 CA TRP A 17 5.786 -8.270 -0.551 1.00 0.00 C ATOM 282 C TRP A 17 4.797 -8.091 -1.706 1.00 0.00 C ATOM 283 O TRP A 17 3.751 -7.490 -1.549 1.00 0.00 O ATOM 284 CB TRP A 17 5.682 -7.103 0.431 1.00 0.00 C ATOM 285 CG TRP A 17 6.616 -7.329 1.576 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.448 -8.258 2.545 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.859 -6.634 1.886 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.507 -8.177 3.431 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.404 -7.191 3.067 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.559 -5.585 1.264 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.601 -6.723 3.612 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.764 -5.112 1.809 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.283 -5.680 2.981 1.00 0.00 C ATOM 0 H TRP A 17 7.579 -7.287 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 17 5.550 -9.223 -0.078 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.927 -6.168 -0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.659 -7.011 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.622 -8.950 2.615 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.613 -8.772 4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.167 -5.140 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.997 -7.164 4.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.294 -4.306 1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.210 -5.311 3.396 1.00 0.00 H new ATOM 304 N PHE A 18 5.085 -8.680 -2.839 1.00 0.00 N ATOM 305 CA PHE A 18 4.121 -8.627 -3.982 1.00 0.00 C ATOM 306 C PHE A 18 2.889 -9.483 -3.673 1.00 0.00 C ATOM 307 O PHE A 18 2.929 -10.364 -2.836 1.00 0.00 O ATOM 308 CB PHE A 18 4.885 -9.199 -5.178 1.00 0.00 C ATOM 309 CG PHE A 18 4.028 -9.100 -6.418 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.624 -7.847 -6.891 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.639 -10.263 -7.094 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.830 -7.754 -8.041 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.845 -10.171 -8.244 1.00 0.00 C ATOM 314 CZ PHE A 18 2.441 -8.917 -8.717 1.00 0.00 C ATOM 0 H PHE A 18 5.946 -9.195 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 18 3.766 -7.615 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.817 -8.653 -5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.151 -10.239 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.925 -6.951 -6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.951 -11.230 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.518 -6.787 -8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.544 -11.068 -8.766 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.829 -8.846 -9.604 1.00 0.00 H new ATOM 324 N GLN A 19 1.797 -9.239 -4.358 1.00 0.00 N ATOM 325 CA GLN A 19 0.550 -10.044 -4.132 1.00 0.00 C ATOM 326 C GLN A 19 0.171 -10.056 -2.646 1.00 0.00 C ATOM 327 O GLN A 19 -0.395 -11.012 -2.149 1.00 0.00 O ATOM 328 CB GLN A 19 0.885 -11.459 -4.613 1.00 0.00 C ATOM 329 CG GLN A 19 -0.408 -12.209 -4.936 1.00 0.00 C ATOM 330 CD GLN A 19 -0.104 -13.698 -5.116 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.289 -14.482 -4.206 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.357 -14.122 -6.260 1.00 0.00 N ATOM 0 H GLN A 19 1.714 -8.512 -5.069 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.302 -9.624 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.521 -11.413 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.445 -11.992 -3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.132 -12.069 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.857 -11.806 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.512 -13.463 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.563 -15.112 -6.392 1.00 0.00 H new ATOM 341 N ASP A 20 0.452 -8.987 -1.945 1.00 0.00 N ATOM 342 CA ASP A 20 0.079 -8.911 -0.500 1.00 0.00 C ATOM 343 C ASP A 20 -0.631 -7.587 -0.206 1.00 0.00 C ATOM 344 O ASP A 20 -0.474 -6.617 -0.922 1.00 0.00 O ATOM 345 CB ASP A 20 1.407 -8.987 0.255 1.00 0.00 C ATOM 346 CG ASP A 20 1.696 -10.441 0.633 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.925 -11.233 -0.266 1.00 0.00 O ATOM 348 OD2 ASP A 20 1.684 -10.738 1.817 1.00 0.00 O ATOM 0 H ASP A 20 0.925 -8.161 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.604 -9.709 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.213 -8.594 -0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.364 -8.369 1.152 1.00 0.00 H new ATOM 353 N VAL A 21 -1.396 -7.539 0.855 1.00 0.00 N ATOM 354 CA VAL A 21 -2.105 -6.275 1.218 1.00 0.00 C ATOM 355 C VAL A 21 -1.337 -5.543 2.324 1.00 0.00 C ATOM 356 O VAL A 21 -1.483 -5.843 3.494 1.00 0.00 O ATOM 357 CB VAL A 21 -3.485 -6.717 1.718 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.311 -5.489 2.111 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.215 -7.478 0.605 1.00 0.00 C ATOM 0 H VAL A 21 -1.560 -8.323 1.487 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.184 -5.588 0.376 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.359 -7.365 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.291 -5.808 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.798 -4.944 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.433 -4.840 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.196 -7.792 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.335 -6.828 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.634 -8.356 0.323 1.00 0.00 H new ATOM 369 N GLY A 22 -0.543 -4.568 1.960 1.00 0.00 N ATOM 370 CA GLY A 22 0.214 -3.790 2.984 1.00 0.00 C ATOM 371 C GLY A 22 -0.656 -2.642 3.501 1.00 0.00 C ATOM 372 O GLY A 22 -1.539 -2.164 2.813 1.00 0.00 O ATOM 0 H GLY A 22 -0.387 -4.277 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.504 -4.441 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.133 -3.397 2.550 1.00 0.00 H new ATOM 376 N THR A 23 -0.394 -2.181 4.697 1.00 0.00 N ATOM 377 CA THR A 23 -1.180 -1.041 5.256 1.00 0.00 C ATOM 378 C THR A 23 -0.453 0.282 4.997 1.00 0.00 C ATOM 379 O THR A 23 0.743 0.389 5.191 1.00 0.00 O ATOM 380 CB THR A 23 -1.269 -1.319 6.757 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.751 -2.640 6.964 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.224 -0.318 7.409 1.00 0.00 C ATOM 0 H THR A 23 0.333 -2.546 5.312 1.00 0.00 H new ATOM 0 HA THR A 23 -2.165 -0.956 4.798 1.00 0.00 H new ATOM 0 HB THR A 23 -0.280 -1.217 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.807 -2.821 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.286 -0.518 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.854 0.695 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.214 -0.416 6.964 1.00 0.00 H new ATOM 390 N VAL A 24 -1.176 1.296 4.596 1.00 0.00 N ATOM 391 CA VAL A 24 -0.542 2.630 4.364 1.00 0.00 C ATOM 392 C VAL A 24 -0.356 3.359 5.699 1.00 0.00 C ATOM 393 O VAL A 24 -1.308 3.621 6.408 1.00 0.00 O ATOM 394 CB VAL A 24 -1.523 3.388 3.460 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.977 4.787 3.161 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.703 2.626 2.142 1.00 0.00 C ATOM 0 H VAL A 24 -2.180 1.258 4.419 1.00 0.00 H new ATOM 0 HA VAL A 24 0.444 2.549 3.906 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.483 3.473 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.677 5.321 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.850 5.335 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.015 4.702 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.400 3.166 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.741 2.538 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.096 1.631 2.348 1.00 0.00 H new ATOM 406 N ALA A 25 0.862 3.702 6.031 1.00 0.00 N ATOM 407 CA ALA A 25 1.119 4.434 7.308 1.00 0.00 C ATOM 408 C ALA A 25 0.864 5.931 7.120 1.00 0.00 C ATOM 409 O ALA A 25 0.166 6.553 7.899 1.00 0.00 O ATOM 410 CB ALA A 25 2.592 4.175 7.625 1.00 0.00 C ATOM 0 H ALA A 25 1.692 3.506 5.471 1.00 0.00 H new ATOM 0 HA ALA A 25 0.465 4.100 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.859 4.682 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.757 3.103 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.211 4.555 6.813 1.00 0.00 H new ATOM 416 N SER A 26 1.407 6.507 6.077 1.00 0.00 N ATOM 417 CA SER A 26 1.181 7.959 5.813 1.00 0.00 C ATOM 418 C SER A 26 1.533 8.295 4.361 1.00 0.00 C ATOM 419 O SER A 26 2.454 7.736 3.794 1.00 0.00 O ATOM 420 CB SER A 26 2.118 8.687 6.775 1.00 0.00 C ATOM 421 OG SER A 26 1.418 8.989 7.975 1.00 0.00 O ATOM 0 H SER A 26 1.999 6.032 5.396 1.00 0.00 H new ATOM 0 HA SER A 26 0.141 8.248 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.987 8.066 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.488 9.604 6.316 1.00 0.00 H new ATOM 0 HG SER A 26 0.804 8.256 8.189 1.00 0.00 H new ATOM 427 N VAL A 27 0.829 9.227 3.772 1.00 0.00 N ATOM 428 CA VAL A 27 1.140 9.634 2.369 1.00 0.00 C ATOM 429 C VAL A 27 2.104 10.827 2.370 1.00 0.00 C ATOM 430 O VAL A 27 1.791 11.886 2.881 1.00 0.00 O ATOM 431 CB VAL A 27 -0.209 10.029 1.756 1.00 0.00 C ATOM 432 CG1 VAL A 27 -0.009 10.460 0.300 1.00 0.00 C ATOM 433 CG2 VAL A 27 -1.162 8.832 1.801 1.00 0.00 C ATOM 0 H VAL A 27 0.050 9.725 4.203 1.00 0.00 H new ATOM 0 HA VAL A 27 1.621 8.836 1.804 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.632 10.857 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.970 10.740 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.668 11.314 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.418 9.634 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.121 9.114 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.734 8.005 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.311 8.524 2.836 1.00 0.00 H new ATOM 509 N LYS A 33 9.939 9.026 -5.067 1.00 0.00 N ATOM 510 CA LYS A 33 9.584 7.996 -6.096 1.00 0.00 C ATOM 511 C LYS A 33 8.298 7.263 -5.697 1.00 0.00 C ATOM 512 O LYS A 33 7.556 6.799 -6.542 1.00 0.00 O ATOM 513 CB LYS A 33 10.774 7.027 -6.131 1.00 0.00 C ATOM 514 CG LYS A 33 10.995 6.414 -4.744 1.00 0.00 C ATOM 515 CD LYS A 33 11.973 5.242 -4.855 1.00 0.00 C ATOM 516 CE LYS A 33 13.373 5.773 -5.173 1.00 0.00 C ATOM 517 NZ LYS A 33 13.951 4.783 -6.124 1.00 0.00 N ATOM 0 HA LYS A 33 9.401 8.442 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.589 6.238 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.673 7.554 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.388 7.166 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.046 6.072 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.989 4.679 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.647 4.555 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.327 6.767 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.979 5.855 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.912 5.077 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.988 3.847 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.357 4.732 -6.976 1.00 0.00 H new ATOM 531 N TYR A 34 8.008 7.199 -4.421 1.00 0.00 N ATOM 532 CA TYR A 34 6.744 6.546 -3.967 1.00 0.00 C ATOM 533 C TYR A 34 6.038 7.426 -2.922 1.00 0.00 C ATOM 534 O TYR A 34 6.361 7.362 -1.752 1.00 0.00 O ATOM 535 CB TYR A 34 7.184 5.220 -3.344 1.00 0.00 C ATOM 536 CG TYR A 34 7.774 4.326 -4.411 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.047 4.048 -5.577 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.048 3.774 -4.234 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.595 3.219 -6.563 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.595 2.945 -5.220 1.00 0.00 C ATOM 541 CZ TYR A 34 8.869 2.668 -6.385 1.00 0.00 C ATOM 542 OH TYR A 34 9.410 1.850 -7.356 1.00 0.00 O ATOM 0 H TYR A 34 8.594 7.572 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 34 6.039 6.397 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.920 5.402 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.333 4.728 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.064 4.473 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.609 3.988 -3.336 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.035 3.005 -7.461 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.578 2.519 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 34 10.301 1.553 -7.075 1.00 0.00 H new ATOM 552 N PRO A 35 5.091 8.228 -3.373 1.00 0.00 N ATOM 553 CA PRO A 35 4.344 9.124 -2.443 1.00 0.00 C ATOM 554 C PRO A 35 3.759 8.335 -1.263 1.00 0.00 C ATOM 555 O PRO A 35 3.716 8.820 -0.147 1.00 0.00 O ATOM 556 CB PRO A 35 3.225 9.692 -3.313 1.00 0.00 C ATOM 557 CG PRO A 35 3.739 9.597 -4.712 1.00 0.00 C ATOM 558 CD PRO A 35 4.629 8.384 -4.763 1.00 0.00 C ATOM 0 HA PRO A 35 4.979 9.893 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.303 9.123 -3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.001 10.724 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.917 9.504 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.293 10.496 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.086 7.503 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.464 8.529 -5.448 1.00 0.00 H new ATOM 566 N VAL A 36 3.214 7.174 -1.526 1.00 0.00 N ATOM 567 CA VAL A 36 2.519 6.408 -0.447 1.00 0.00 C ATOM 568 C VAL A 36 3.497 5.438 0.224 1.00 0.00 C ATOM 569 O VAL A 36 4.170 4.668 -0.435 1.00 0.00 O ATOM 570 CB VAL A 36 1.396 5.643 -1.157 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.600 4.826 -0.135 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.456 6.634 -1.850 1.00 0.00 C ATOM 0 H VAL A 36 3.220 6.724 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 36 2.130 7.058 0.337 1.00 0.00 H new ATOM 0 HB VAL A 36 1.834 4.974 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.197 4.284 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.263 4.116 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.167 5.496 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.341 6.088 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.023 7.305 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.016 7.216 -2.582 1.00 0.00 H new ATOM 582 N ILE A 37 3.548 5.446 1.532 1.00 0.00 N ATOM 583 CA ILE A 37 4.446 4.498 2.259 1.00 0.00 C ATOM 584 C ILE A 37 3.638 3.297 2.764 1.00 0.00 C ATOM 585 O ILE A 37 2.687 3.449 3.507 1.00 0.00 O ATOM 586 CB ILE A 37 5.014 5.305 3.433 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.799 6.509 2.897 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.951 4.422 4.263 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.605 7.702 3.835 1.00 0.00 C ATOM 0 H ILE A 37 3.005 6.070 2.129 1.00 0.00 H new ATOM 0 HA ILE A 37 5.238 4.104 1.623 1.00 0.00 H new ATOM 0 HB ILE A 37 4.192 5.652 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.858 6.261 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.457 6.762 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.352 4.999 5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.398 3.566 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.771 4.072 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.162 8.558 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.546 7.954 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.968 7.445 4.830 1.00 0.00 H new ATOM 601 N VAL A 38 4.028 2.107 2.385 1.00 0.00 N ATOM 602 CA VAL A 38 3.306 0.889 2.862 1.00 0.00 C ATOM 603 C VAL A 38 4.127 0.183 3.945 1.00 0.00 C ATOM 604 O VAL A 38 5.337 0.097 3.859 1.00 0.00 O ATOM 605 CB VAL A 38 3.162 -0.004 1.622 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.416 -1.288 1.994 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.372 0.741 0.542 1.00 0.00 C ATOM 0 H VAL A 38 4.817 1.926 1.764 1.00 0.00 H new ATOM 0 HA VAL A 38 2.337 1.127 3.302 1.00 0.00 H new ATOM 0 HB VAL A 38 4.154 -0.254 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.316 -1.919 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.974 -1.824 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.426 -1.036 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.271 0.106 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.383 0.993 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.900 1.655 0.271 1.00 0.00 H new ATOM 617 N ARG A 39 3.470 -0.362 4.937 1.00 0.00 N ATOM 618 CA ARG A 39 4.198 -1.112 6.004 1.00 0.00 C ATOM 619 C ARG A 39 3.837 -2.598 5.946 1.00 0.00 C ATOM 620 O ARG A 39 2.676 -2.962 5.937 1.00 0.00 O ATOM 621 CB ARG A 39 3.721 -0.495 7.319 1.00 0.00 C ATOM 622 CG ARG A 39 4.724 -0.817 8.428 1.00 0.00 C ATOM 623 CD ARG A 39 3.982 -0.977 9.758 1.00 0.00 C ATOM 624 NE ARG A 39 4.081 0.359 10.423 1.00 0.00 N ATOM 625 CZ ARG A 39 3.918 0.494 11.725 1.00 0.00 C ATOM 626 NH1 ARG A 39 3.617 -0.531 12.489 1.00 0.00 N ATOM 627 NH2 ARG A 39 4.056 1.672 12.266 1.00 0.00 N ATOM 0 H ARG A 39 2.458 -0.320 5.054 1.00 0.00 H new ATOM 0 HA ARG A 39 5.280 -1.044 5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.618 0.585 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.737 -0.885 7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.265 -1.733 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.464 -0.021 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.942 -1.261 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.435 -1.757 10.371 1.00 0.00 H new ATOM 0 HE ARG A 39 4.279 1.184 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.504 -1.458 12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.496 -0.400 13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.288 2.477 11.684 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.932 1.789 13.272 1.00 0.00 H new ATOM 641 N PHE A 40 4.824 -3.457 5.922 1.00 0.00 N ATOM 642 CA PHE A 40 4.549 -4.924 5.882 1.00 0.00 C ATOM 643 C PHE A 40 4.812 -5.549 7.255 1.00 0.00 C ATOM 644 O PHE A 40 5.457 -4.957 8.101 1.00 0.00 O ATOM 645 CB PHE A 40 5.520 -5.483 4.843 1.00 0.00 C ATOM 646 CG PHE A 40 5.208 -4.891 3.489 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.921 -5.010 2.953 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.207 -4.222 2.771 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.631 -4.462 1.697 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.917 -3.673 1.517 1.00 0.00 C ATOM 651 CZ PHE A 40 4.631 -3.792 0.979 1.00 0.00 C ATOM 0 H PHE A 40 5.812 -3.204 5.928 1.00 0.00 H new ATOM 0 HA PHE A 40 3.512 -5.142 5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.546 -5.249 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.441 -6.569 4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.151 -5.525 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.200 -4.130 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.638 -4.556 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.687 -3.157 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.409 -3.368 0.011 1.00 0.00 H new ATOM 661 N GLU A 41 4.351 -6.756 7.465 1.00 0.00 N ATOM 662 CA GLU A 41 4.605 -7.446 8.765 1.00 0.00 C ATOM 663 C GLU A 41 5.570 -8.617 8.562 1.00 0.00 C ATOM 664 O GLU A 41 6.322 -8.973 9.449 1.00 0.00 O ATOM 665 CB GLU A 41 3.235 -7.952 9.219 1.00 0.00 C ATOM 666 CG GLU A 41 2.375 -6.768 9.664 1.00 0.00 C ATOM 667 CD GLU A 41 0.903 -7.074 9.390 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.450 -8.131 9.800 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.250 -6.247 8.774 1.00 0.00 O ATOM 0 H GLU A 41 3.808 -7.294 6.790 1.00 0.00 H new ATOM 0 HA GLU A 41 5.060 -6.784 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.745 -8.486 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.351 -8.660 10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.525 -6.575 10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.675 -5.866 9.130 1.00 0.00 H new ATOM 676 N LYS A 42 5.569 -9.202 7.390 1.00 0.00 N ATOM 677 CA LYS A 42 6.503 -10.333 7.110 1.00 0.00 C ATOM 678 C LYS A 42 7.894 -9.798 6.761 1.00 0.00 C ATOM 679 O LYS A 42 8.060 -9.061 5.808 1.00 0.00 O ATOM 680 CB LYS A 42 5.894 -11.064 5.912 1.00 0.00 C ATOM 681 CG LYS A 42 6.561 -12.433 5.756 1.00 0.00 C ATOM 682 CD LYS A 42 5.725 -13.305 4.817 1.00 0.00 C ATOM 683 CE LYS A 42 5.821 -14.767 5.255 1.00 0.00 C ATOM 684 NZ LYS A 42 5.444 -15.555 4.049 1.00 0.00 N ATOM 0 H LYS A 42 4.960 -8.943 6.614 1.00 0.00 H new ATOM 0 HA LYS A 42 6.623 -10.991 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.820 -11.185 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.031 -10.475 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.569 -12.315 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.657 -12.916 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.685 -12.978 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.080 -13.198 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.829 -15.014 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.149 -14.975 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.486 -16.570 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.478 -15.304 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.105 -15.342 3.275 1.00 0.00 H new ATOM 698 N VAL A 43 8.900 -10.224 7.482 1.00 0.00 N ATOM 699 CA VAL A 43 10.297 -9.807 7.146 1.00 0.00 C ATOM 700 C VAL A 43 10.669 -10.286 5.738 1.00 0.00 C ATOM 701 O VAL A 43 9.821 -10.710 4.975 1.00 0.00 O ATOM 702 CB VAL A 43 11.189 -10.475 8.202 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.798 -9.967 9.591 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.016 -11.999 8.148 1.00 0.00 C ATOM 0 H VAL A 43 8.815 -10.842 8.289 1.00 0.00 H new ATOM 0 HA VAL A 43 10.413 -8.723 7.152 1.00 0.00 H new ATOM 0 HB VAL A 43 12.231 -10.227 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.430 -10.440 10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.930 -8.886 9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.754 -10.213 9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.653 -12.464 8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.975 -12.254 8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.298 -12.362 7.160 1.00 0.00 H new ATOM 714 N ASN A 44 11.936 -10.271 5.413 1.00 0.00 N ATOM 715 CA ASN A 44 12.380 -10.781 4.080 1.00 0.00 C ATOM 716 C ASN A 44 13.862 -11.168 4.124 1.00 0.00 C ATOM 717 O ASN A 44 14.423 -11.382 5.183 1.00 0.00 O ATOM 718 CB ASN A 44 12.147 -9.618 3.107 1.00 0.00 C ATOM 719 CG ASN A 44 12.955 -8.389 3.543 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.476 -8.342 4.639 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.079 -7.383 2.720 1.00 0.00 N ATOM 0 H ASN A 44 12.684 -9.927 6.014 1.00 0.00 H new ATOM 0 HA ASN A 44 11.833 -11.674 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.438 -9.914 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.086 -9.371 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.613 -6.559 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.642 -7.421 1.799 1.00 0.00 H new ATOM 728 N TYR A 45 14.472 -11.337 2.979 1.00 0.00 N ATOM 729 CA TYR A 45 15.895 -11.803 2.943 1.00 0.00 C ATOM 730 C TYR A 45 16.800 -10.801 3.664 1.00 0.00 C ATOM 731 O TYR A 45 17.848 -11.155 4.171 1.00 0.00 O ATOM 732 CB TYR A 45 16.256 -11.877 1.457 1.00 0.00 C ATOM 733 CG TYR A 45 15.380 -12.901 0.776 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.361 -14.222 1.236 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.586 -12.527 -0.315 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.548 -15.171 0.605 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.774 -13.477 -0.947 1.00 0.00 C ATOM 738 CZ TYR A 45 13.754 -14.798 -0.487 1.00 0.00 C ATOM 739 OH TYR A 45 12.954 -15.734 -1.110 1.00 0.00 O ATOM 0 H TYR A 45 14.048 -11.173 2.066 1.00 0.00 H new ATOM 0 HA TYR A 45 16.024 -12.764 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.123 -10.901 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.306 -12.146 1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.973 -14.510 2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.600 -11.507 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.533 -16.191 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.163 -13.190 -1.790 1.00 0.00 H new ATOM 0 HH TYR A 45 12.468 -15.310 -1.848 1.00 0.00 H new ATOM 749 N SER A 46 16.422 -9.548 3.678 1.00 0.00 N ATOM 750 CA SER A 46 17.279 -8.508 4.324 1.00 0.00 C ATOM 751 C SER A 46 16.864 -8.312 5.784 1.00 0.00 C ATOM 752 O SER A 46 17.659 -7.909 6.613 1.00 0.00 O ATOM 753 CB SER A 46 17.027 -7.233 3.520 1.00 0.00 C ATOM 754 OG SER A 46 17.746 -7.301 2.295 1.00 0.00 O ATOM 0 H SER A 46 15.555 -9.200 3.269 1.00 0.00 H new ATOM 0 HA SER A 46 18.333 -8.786 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.961 -7.118 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.342 -6.360 4.092 1.00 0.00 H new ATOM 0 HG SER A 46 17.585 -6.486 1.776 1.00 0.00 H new ATOM 760 N GLY A 47 15.615 -8.549 6.093 1.00 0.00 N ATOM 761 CA GLY A 47 15.126 -8.330 7.486 1.00 0.00 C ATOM 762 C GLY A 47 14.454 -6.960 7.582 1.00 0.00 C ATOM 763 O GLY A 47 14.863 -6.111 8.352 1.00 0.00 O ATOM 0 H GLY A 47 14.910 -8.886 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.420 -9.113 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.958 -8.389 8.188 1.00 0.00 H new ATOM 767 N ILE A 55 13.455 -6.722 6.769 1.00 0.00 N ATOM 768 CA ILE A 55 12.784 -5.388 6.766 1.00 0.00 C ATOM 769 C ILE A 55 11.265 -5.566 6.878 1.00 0.00 C ATOM 770 O ILE A 55 10.732 -6.612 6.560 1.00 0.00 O ATOM 771 CB ILE A 55 13.157 -4.755 5.420 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.680 -4.624 5.317 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.526 -3.365 5.308 1.00 0.00 C ATOM 774 CD1 ILE A 55 15.073 -4.343 3.866 1.00 0.00 C ATOM 0 H ILE A 55 13.075 -7.397 6.106 1.00 0.00 H new ATOM 0 HA ILE A 55 13.095 -4.765 7.604 1.00 0.00 H new ATOM 0 HB ILE A 55 12.787 -5.389 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.030 -3.818 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.158 -5.540 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.794 -2.920 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.442 -3.451 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.892 -2.733 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.157 -4.250 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.736 -5.164 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.606 -3.415 3.536 1.00 0.00 H new ATOM 786 N ASN A 56 10.566 -4.535 7.280 1.00 0.00 N ATOM 787 CA ASN A 56 9.076 -4.618 7.359 1.00 0.00 C ATOM 788 C ASN A 56 8.446 -3.262 7.015 1.00 0.00 C ATOM 789 O ASN A 56 7.334 -2.970 7.413 1.00 0.00 O ATOM 790 CB ASN A 56 8.770 -5.008 8.810 1.00 0.00 C ATOM 791 CG ASN A 56 9.349 -3.961 9.769 1.00 0.00 C ATOM 792 OD1 ASN A 56 8.629 -3.124 10.279 1.00 0.00 O ATOM 793 ND2 ASN A 56 10.626 -3.974 10.037 1.00 0.00 N ATOM 0 H ASN A 56 10.964 -3.638 7.557 1.00 0.00 H new ATOM 0 HA ASN A 56 8.668 -5.341 6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.693 -5.088 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.195 -5.988 9.029 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.020 -3.282 10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.230 -4.676 9.609 1.00 0.00 H new ATOM 800 N THR A 57 9.123 -2.465 6.227 1.00 0.00 N ATOM 801 CA THR A 57 8.540 -1.161 5.792 1.00 0.00 C ATOM 802 C THR A 57 9.123 -0.748 4.437 1.00 0.00 C ATOM 803 O THR A 57 10.323 -0.771 4.237 1.00 0.00 O ATOM 804 CB THR A 57 8.947 -0.162 6.876 1.00 0.00 C ATOM 805 OG1 THR A 57 10.346 -0.251 7.101 1.00 0.00 O ATOM 806 CG2 THR A 57 8.198 -0.478 8.172 1.00 0.00 C ATOM 0 H THR A 57 10.056 -2.663 5.866 1.00 0.00 H new ATOM 0 HA THR A 57 7.458 -1.213 5.671 1.00 0.00 H new ATOM 0 HB THR A 57 8.696 0.848 6.551 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.793 -0.527 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.489 0.235 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.124 -0.406 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.446 -1.488 8.499 1.00 0.00 H new ATOM 814 N ASN A 58 8.284 -0.332 3.522 1.00 0.00 N ATOM 815 CA ASN A 58 8.784 0.129 2.192 1.00 0.00 C ATOM 816 C ASN A 58 7.896 1.254 1.656 1.00 0.00 C ATOM 817 O ASN A 58 6.950 1.669 2.299 1.00 0.00 O ATOM 818 CB ASN A 58 8.697 -1.101 1.288 1.00 0.00 C ATOM 819 CG ASN A 58 10.053 -1.808 1.254 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.531 -2.282 2.266 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.699 -1.900 0.123 1.00 0.00 N ATOM 0 H ASN A 58 7.272 -0.292 3.640 1.00 0.00 H new ATOM 0 HA ASN A 58 9.799 0.524 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.929 -1.782 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.404 -0.805 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.604 -2.369 0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.299 -1.503 -0.727 1.00 0.00 H new ATOM 828 N ASN A 59 8.200 1.754 0.485 1.00 0.00 N ATOM 829 CA ASN A 59 7.384 2.859 -0.101 1.00 0.00 C ATOM 830 C ASN A 59 6.867 2.461 -1.486 1.00 0.00 C ATOM 831 O ASN A 59 7.592 1.907 -2.290 1.00 0.00 O ATOM 832 CB ASN A 59 8.342 4.046 -0.206 1.00 0.00 C ATOM 833 CG ASN A 59 8.821 4.444 1.192 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.277 3.610 1.949 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.738 5.690 1.567 1.00 0.00 N ATOM 0 H ASN A 59 8.981 1.443 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 59 6.510 3.093 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.194 3.784 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.842 4.889 -0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.056 5.965 2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.355 6.390 0.931 1.00 0.00 H new ATOM 842 N PHE A 60 5.628 2.767 -1.776 1.00 0.00 N ATOM 843 CA PHE A 60 5.065 2.439 -3.120 1.00 0.00 C ATOM 844 C PHE A 60 4.227 3.610 -3.642 1.00 0.00 C ATOM 845 O PHE A 60 3.763 4.438 -2.882 1.00 0.00 O ATOM 846 CB PHE A 60 4.182 1.210 -2.892 1.00 0.00 C ATOM 847 CG PHE A 60 5.036 0.057 -2.420 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.335 -0.081 -1.060 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.527 -0.874 -3.344 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.125 -1.152 -0.623 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.316 -1.943 -2.906 1.00 0.00 C ATOM 852 CZ PHE A 60 6.616 -2.083 -1.545 1.00 0.00 C ATOM 0 H PHE A 60 4.981 3.231 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 60 5.844 2.250 -3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.413 1.434 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.668 0.942 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.957 0.638 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.297 -0.767 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.355 -1.259 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.694 -2.661 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.225 -2.908 -1.208 1.00 0.00 H new ATOM 862 N ALA A 61 4.008 3.665 -4.931 1.00 0.00 N ATOM 863 CA ALA A 61 3.173 4.759 -5.508 1.00 0.00 C ATOM 864 C ALA A 61 1.697 4.352 -5.513 1.00 0.00 C ATOM 865 O ALA A 61 1.369 3.180 -5.517 1.00 0.00 O ATOM 866 CB ALA A 61 3.684 4.937 -6.938 1.00 0.00 C ATOM 0 H ALA A 61 4.373 2.997 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 61 3.246 5.681 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.118 5.727 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.740 5.207 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.559 4.004 -7.488 1.00 0.00 H new ATOM 872 N GLU A 62 0.808 5.313 -5.536 1.00 0.00 N ATOM 873 CA GLU A 62 -0.652 4.988 -5.570 1.00 0.00 C ATOM 874 C GLU A 62 -0.990 4.185 -6.831 1.00 0.00 C ATOM 875 O GLU A 62 -1.891 3.367 -6.832 1.00 0.00 O ATOM 876 CB GLU A 62 -1.373 6.343 -5.579 1.00 0.00 C ATOM 877 CG GLU A 62 -0.941 7.162 -6.803 1.00 0.00 C ATOM 878 CD GLU A 62 -0.877 8.645 -6.430 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.918 9.206 -6.130 1.00 0.00 O ATOM 880 OE2 GLU A 62 0.212 9.194 -6.452 1.00 0.00 O ATOM 0 H GLU A 62 1.029 6.309 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.954 4.379 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.452 6.189 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.144 6.892 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.033 6.823 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.646 7.012 -7.621 1.00 0.00 H new ATOM 887 N ASP A 63 -0.241 4.381 -7.887 1.00 0.00 N ATOM 888 CA ASP A 63 -0.478 3.595 -9.138 1.00 0.00 C ATOM 889 C ASP A 63 -0.066 2.131 -8.934 1.00 0.00 C ATOM 890 O ASP A 63 -0.575 1.240 -9.589 1.00 0.00 O ATOM 891 CB ASP A 63 0.393 4.260 -10.211 1.00 0.00 C ATOM 892 CG ASP A 63 1.864 4.240 -9.781 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.410 3.157 -9.658 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.417 5.310 -9.585 1.00 0.00 O ATOM 0 H ASP A 63 0.525 5.052 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.530 3.590 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.276 3.738 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.066 5.288 -10.370 1.00 0.00 H new ATOM 899 N GLU A 64 0.846 1.878 -8.028 1.00 0.00 N ATOM 900 CA GLU A 64 1.288 0.474 -7.773 1.00 0.00 C ATOM 901 C GLU A 64 0.526 -0.117 -6.583 1.00 0.00 C ATOM 902 O GLU A 64 1.001 -1.023 -5.924 1.00 0.00 O ATOM 903 CB GLU A 64 2.779 0.582 -7.454 1.00 0.00 C ATOM 904 CG GLU A 64 3.587 0.515 -8.752 1.00 0.00 C ATOM 905 CD GLU A 64 4.930 1.219 -8.554 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.964 2.198 -7.826 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.904 0.768 -9.134 1.00 0.00 O ATOM 0 H GLU A 64 1.304 2.586 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 64 1.098 -0.179 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.983 1.518 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.078 -0.225 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.748 -0.524 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.033 0.988 -9.563 1.00 0.00 H new ATOM 914 N LEU A 65 -0.666 0.362 -6.329 1.00 0.00 N ATOM 915 CA LEU A 65 -1.483 -0.203 -5.214 1.00 0.00 C ATOM 916 C LEU A 65 -2.919 -0.454 -5.684 1.00 0.00 C ATOM 917 O LEU A 65 -3.378 0.138 -6.642 1.00 0.00 O ATOM 918 CB LEU A 65 -1.457 0.868 -4.121 1.00 0.00 C ATOM 919 CG LEU A 65 -0.040 0.991 -3.556 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.068 2.269 -2.724 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.262 -0.220 -2.669 1.00 0.00 C ATOM 0 H LEU A 65 -1.108 1.121 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.093 -1.157 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.781 1.826 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.155 0.607 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 65 0.676 1.029 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.077 2.357 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.148 3.132 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.648 2.230 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.271 -0.133 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.454 -0.258 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.185 -1.132 -3.260 1.00 0.00 H new ATOM 933 N VAL A 66 -3.646 -1.277 -4.973 1.00 0.00 N ATOM 934 CA VAL A 66 -5.079 -1.515 -5.326 1.00 0.00 C ATOM 935 C VAL A 66 -5.926 -1.585 -4.050 1.00 0.00 C ATOM 936 O VAL A 66 -5.666 -2.381 -3.167 1.00 0.00 O ATOM 937 CB VAL A 66 -5.094 -2.860 -6.062 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.526 -3.203 -6.482 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.211 -2.771 -7.310 1.00 0.00 C ATOM 0 H VAL A 66 -3.309 -1.796 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.493 -0.716 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.714 -3.636 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.533 -4.159 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.159 -3.269 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.907 -2.425 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.222 -3.727 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.592 -1.992 -7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.189 -2.530 -7.016 1.00 0.00 H new ATOM 949 N GLU A 67 -6.925 -0.745 -3.944 1.00 0.00 N ATOM 950 CA GLU A 67 -7.781 -0.743 -2.718 1.00 0.00 C ATOM 951 C GLU A 67 -8.474 -2.098 -2.554 1.00 0.00 C ATOM 952 O GLU A 67 -9.282 -2.493 -3.372 1.00 0.00 O ATOM 953 CB GLU A 67 -8.814 0.362 -2.948 1.00 0.00 C ATOM 954 CG GLU A 67 -9.093 1.087 -1.629 1.00 0.00 C ATOM 955 CD GLU A 67 -9.809 0.137 -0.667 1.00 0.00 C ATOM 956 OE1 GLU A 67 -11.010 -0.023 -0.809 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.144 -0.413 0.195 1.00 0.00 O ATOM 0 H GLU A 67 -7.185 -0.060 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.199 -0.571 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.446 1.068 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.736 -0.065 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.159 1.433 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.707 1.970 -1.809 1.00 0.00 H new ATOM 964 N VAL A 68 -8.189 -2.793 -1.482 1.00 0.00 N ATOM 965 CA VAL A 68 -8.859 -4.106 -1.232 1.00 0.00 C ATOM 966 C VAL A 68 -9.555 -4.095 0.133 1.00 0.00 C ATOM 967 O VAL A 68 -9.365 -4.984 0.942 1.00 0.00 O ATOM 968 CB VAL A 68 -7.732 -5.147 -1.260 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.074 -5.147 -2.640 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.680 -4.808 -0.196 1.00 0.00 C ATOM 0 H VAL A 68 -7.520 -2.507 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.626 -4.324 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.150 -6.132 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.273 -5.886 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.817 -5.395 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.662 -4.159 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.883 -5.552 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.263 -3.822 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.146 -4.810 0.790 1.00 0.00 H new