USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 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 65 ASN : amide:sc= -0.878! C(o=-0.16!,f=-12!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -160:sc= 0.72 (180deg=-0.0401) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -123:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 72 THR OG1 : rot 130:sc= 1.12 USER MOD Set 3.1: A 30 THR OG1 : rot -174:sc= -2.1 USER MOD Set 3.2: A 33 GLN : amide:sc= -0.243 K(o=-2.3,f=-3.3) USER MOD Single : A 36 SER OG : rot 180:sc= 0.059 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0.656 (180deg=0.637) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.136 (180deg=-0.52) USER MOD Single : A 49 GLN : amide:sc= 0.0555 X(o=0.056,f=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-3.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.64 K(o=0.64,f=-2.3!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -106:sc= -0.841 (180deg=-3.1!) USER MOD Single : A 74 ASN : amide:sc= -1.54! X(o=-1.5!,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 140:sc= 1.64 (180deg=0.408) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 76:sc= 0.569 USER MOD Single : A 82 TYR OH : rot 30:sc= 0.73 USER MOD Single : A 83 ASN : amide:sc= -1.39! K(o=-1.4!,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.297 K(o=0.3,f=-1.3) USER MOD Single : A 88 THR OG1 : rot -75:sc= -0.179 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -6.894 3.606 0.212 1.00 0.00 N ATOM 96 CA ARG A 27 -6.137 4.373 -0.780 1.00 0.00 C ATOM 97 C ARG A 27 -5.433 5.584 -0.118 1.00 0.00 C ATOM 98 O ARG A 27 -6.077 6.459 0.471 1.00 0.00 O ATOM 99 CB ARG A 27 -7.074 4.804 -1.936 1.00 0.00 C ATOM 100 CG ARG A 27 -6.539 5.948 -2.829 1.00 0.00 C ATOM 101 CD ARG A 27 -7.500 6.334 -3.966 1.00 0.00 C ATOM 102 NE ARG A 27 -8.747 6.938 -3.455 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.937 6.911 -4.065 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.129 6.180 -5.160 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.949 7.586 -3.543 1.00 0.00 N ATOM 0 HA ARG A 27 -5.353 3.743 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.271 3.936 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.029 5.113 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.350 6.825 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.583 5.648 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.005 7.037 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.741 5.448 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.696 7.419 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.362 5.629 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.043 6.170 -5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.817 8.120 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.861 7.572 -4.000 1.00 0.00 H new ATOM 119 N ALA A 28 -4.092 5.566 -0.199 1.00 0.00 N ATOM 120 CA ALA A 28 -3.212 6.623 0.331 1.00 0.00 C ATOM 121 C ALA A 28 -2.838 7.655 -0.762 1.00 0.00 C ATOM 122 O ALA A 28 -2.418 8.774 -0.456 1.00 0.00 O ATOM 123 CB ALA A 28 -1.935 5.978 0.906 1.00 0.00 C ATOM 0 H ALA A 28 -3.580 4.804 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.748 7.155 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.280 6.755 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.204 5.290 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.417 5.432 0.118 1.00 0.00 H new ATOM 129 N TRP A 29 -2.992 7.251 -2.043 1.00 0.00 N ATOM 130 CA TRP A 29 -2.545 8.031 -3.222 1.00 0.00 C ATOM 131 C TRP A 29 -3.649 8.002 -4.286 1.00 0.00 C ATOM 132 O TRP A 29 -4.185 6.931 -4.575 1.00 0.00 O ATOM 133 CB TRP A 29 -1.256 7.414 -3.845 1.00 0.00 C ATOM 134 CG TRP A 29 -0.160 7.084 -2.856 1.00 0.00 C ATOM 135 CD1 TRP A 29 0.498 7.938 -2.011 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.434 5.797 -2.658 1.00 0.00 C ATOM 137 NE1 TRP A 29 1.423 7.243 -1.271 1.00 0.00 N ATOM 138 CE2 TRP A 29 1.412 5.932 -1.661 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.222 4.541 -3.228 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.171 4.860 -1.223 1.00 0.00 C ATOM 141 CZ3 TRP A 29 0.983 3.478 -2.799 1.00 0.00 C ATOM 142 CH2 TRP A 29 1.947 3.641 -1.799 1.00 0.00 C ATOM 0 H TRP A 29 -3.434 6.366 -2.291 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.334 9.050 -2.899 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.529 6.503 -4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.859 8.110 -4.584 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.316 9.000 -1.938 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.022 7.640 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.527 4.405 -3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.916 4.983 -0.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.834 2.504 -3.241 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.525 2.788 -1.476 1.00 0.00 H new ATOM 153 N THR A 30 -3.960 9.156 -4.893 1.00 0.00 N ATOM 154 CA THR A 30 -4.972 9.240 -5.954 1.00 0.00 C ATOM 155 C THR A 30 -4.397 8.674 -7.272 1.00 0.00 C ATOM 156 O THR A 30 -3.187 8.412 -7.358 1.00 0.00 O ATOM 157 CB THR A 30 -5.456 10.713 -6.143 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.349 11.537 -6.518 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.085 11.279 -4.857 1.00 0.00 C ATOM 0 H THR A 30 -3.522 10.049 -4.665 1.00 0.00 H new ATOM 0 HA THR A 30 -5.836 8.642 -5.665 1.00 0.00 H new ATOM 0 HB THR A 30 -6.216 10.712 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.633 12.475 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.408 12.305 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.944 10.671 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.348 11.262 -4.054 1.00 0.00 H new ATOM 167 N VAL A 31 -5.260 8.493 -8.293 1.00 0.00 N ATOM 168 CA VAL A 31 -4.846 7.897 -9.588 1.00 0.00 C ATOM 169 C VAL A 31 -3.725 8.730 -10.254 1.00 0.00 C ATOM 170 O VAL A 31 -2.796 8.170 -10.837 1.00 0.00 O ATOM 171 CB VAL A 31 -6.065 7.721 -10.561 1.00 0.00 C ATOM 172 CG1 VAL A 31 -5.639 7.166 -11.951 1.00 0.00 C ATOM 173 CG2 VAL A 31 -7.154 6.838 -9.912 1.00 0.00 C ATOM 0 H VAL A 31 -6.246 8.749 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.449 6.905 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.484 8.711 -10.739 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.518 7.063 -12.587 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.933 7.854 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.166 6.192 -11.825 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.991 6.727 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.739 5.856 -9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.502 7.307 -8.991 1.00 0.00 H new ATOM 183 N GLU A 32 -3.816 10.066 -10.123 1.00 0.00 N ATOM 184 CA GLU A 32 -2.811 11.010 -10.662 1.00 0.00 C ATOM 185 C GLU A 32 -1.481 10.899 -9.889 1.00 0.00 C ATOM 186 O GLU A 32 -0.409 11.072 -10.478 1.00 0.00 O ATOM 187 CB GLU A 32 -3.354 12.466 -10.615 1.00 0.00 C ATOM 188 CG GLU A 32 -3.588 13.020 -9.195 1.00 0.00 C ATOM 189 CD GLU A 32 -4.429 14.300 -9.155 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.877 15.397 -9.386 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.650 14.209 -8.898 1.00 0.00 O ATOM 0 H GLU A 32 -4.588 10.525 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.618 10.746 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.652 13.118 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.294 12.507 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.081 12.255 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.622 13.218 -8.730 1.00 0.00 H new ATOM 198 N GLN A 33 -1.569 10.622 -8.568 1.00 0.00 N ATOM 199 CA GLN A 33 -0.386 10.405 -7.711 1.00 0.00 C ATOM 200 C GLN A 33 0.296 9.073 -8.066 1.00 0.00 C ATOM 201 O GLN A 33 1.522 8.981 -7.996 1.00 0.00 O ATOM 202 CB GLN A 33 -0.763 10.432 -6.209 1.00 0.00 C ATOM 203 CG GLN A 33 -1.302 11.783 -5.708 1.00 0.00 C ATOM 204 CD GLN A 33 -1.659 11.780 -4.217 1.00 0.00 C ATOM 205 OE1 GLN A 33 -1.048 11.076 -3.417 1.00 0.00 O ATOM 206 NE2 GLN A 33 -2.665 12.547 -3.847 1.00 0.00 N ATOM 0 H GLN A 33 -2.456 10.543 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 33 0.313 11.221 -7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.514 9.664 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.116 10.167 -5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.556 12.555 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.187 12.050 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.151 13.119 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.958 12.568 -2.870 1.00 0.00 H new ATOM 215 N LEU A 34 -0.499 8.060 -8.463 1.00 0.00 N ATOM 216 CA LEU A 34 0.048 6.766 -8.919 1.00 0.00 C ATOM 217 C LEU A 34 0.857 6.982 -10.203 1.00 0.00 C ATOM 218 O LEU A 34 2.054 6.700 -10.261 1.00 0.00 O ATOM 219 CB LEU A 34 -1.088 5.750 -9.193 1.00 0.00 C ATOM 220 CG LEU A 34 -1.999 5.393 -7.982 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.211 4.554 -8.435 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.194 4.694 -6.859 1.00 0.00 C ATOM 0 H LEU A 34 -1.518 8.112 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 34 0.689 6.365 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.717 6.147 -9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.641 4.829 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.386 6.322 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.833 4.317 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.796 5.121 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.862 3.630 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.859 4.458 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.754 3.774 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.401 5.357 -6.513 1.00 0.00 H new ATOM 234 N ARG A 35 0.186 7.617 -11.186 1.00 0.00 N ATOM 235 CA ARG A 35 0.743 7.886 -12.527 1.00 0.00 C ATOM 236 C ARG A 35 1.840 8.973 -12.476 1.00 0.00 C ATOM 237 O ARG A 35 2.551 9.181 -13.468 1.00 0.00 O ATOM 238 CB ARG A 35 -0.398 8.269 -13.513 1.00 0.00 C ATOM 239 CG ARG A 35 -1.488 7.178 -13.665 1.00 0.00 C ATOM 240 CD ARG A 35 -2.620 7.572 -14.638 1.00 0.00 C ATOM 241 NE ARG A 35 -2.130 7.784 -16.012 1.00 0.00 N ATOM 242 CZ ARG A 35 -2.890 8.100 -17.075 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.207 8.225 -16.968 1.00 0.00 N ATOM 244 NH2 ARG A 35 -2.313 8.294 -18.253 1.00 0.00 N ATOM 0 H ARG A 35 -0.767 7.961 -11.069 1.00 0.00 H new ATOM 0 HA ARG A 35 1.218 6.975 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.866 9.192 -13.171 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.035 8.475 -14.492 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.023 6.257 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.918 6.966 -12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.380 6.791 -14.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.101 8.483 -14.282 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.127 7.682 -16.170 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.661 8.081 -16.066 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.765 8.465 -17.787 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.301 8.203 -18.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.881 8.534 -19.066 1.00 0.00 H new ATOM 258 N SER A 36 1.946 9.673 -11.322 1.00 0.00 N ATOM 259 CA SER A 36 2.996 10.674 -11.073 1.00 0.00 C ATOM 260 C SER A 36 4.401 10.063 -11.213 1.00 0.00 C ATOM 261 O SER A 36 4.644 8.910 -10.832 1.00 0.00 O ATOM 262 CB SER A 36 2.843 11.309 -9.671 1.00 0.00 C ATOM 263 OG SER A 36 3.875 12.249 -9.406 1.00 0.00 O ATOM 0 H SER A 36 1.302 9.555 -10.540 1.00 0.00 H new ATOM 0 HA SER A 36 2.878 11.452 -11.827 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.874 11.802 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.860 10.526 -8.913 1.00 0.00 H new ATOM 0 HG SER A 36 3.747 12.632 -8.513 1.00 0.00 H new ATOM 269 N GLU A 37 5.309 10.871 -11.757 1.00 0.00 N ATOM 270 CA GLU A 37 6.700 10.484 -12.008 1.00 0.00 C ATOM 271 C GLU A 37 7.549 10.573 -10.714 1.00 0.00 C ATOM 272 O GLU A 37 8.706 10.147 -10.691 1.00 0.00 O ATOM 273 CB GLU A 37 7.272 11.403 -13.112 1.00 0.00 C ATOM 274 CG GLU A 37 6.416 11.446 -14.395 1.00 0.00 C ATOM 275 CD GLU A 37 6.942 12.438 -15.446 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.748 13.662 -15.269 1.00 0.00 O ATOM 277 OE2 GLU A 37 7.568 12.008 -16.439 1.00 0.00 O ATOM 0 H GLU A 37 5.098 11.828 -12.041 1.00 0.00 H new ATOM 0 HA GLU A 37 6.736 9.446 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.367 12.414 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.276 11.065 -13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.381 10.449 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.393 11.715 -14.132 1.00 0.00 H new ATOM 284 N GLN A 38 6.953 11.139 -9.644 1.00 0.00 N ATOM 285 CA GLN A 38 7.599 11.300 -8.329 1.00 0.00 C ATOM 286 C GLN A 38 7.414 10.032 -7.473 1.00 0.00 C ATOM 287 O GLN A 38 8.321 9.635 -6.728 1.00 0.00 O ATOM 288 CB GLN A 38 7.006 12.544 -7.603 1.00 0.00 C ATOM 289 CG GLN A 38 7.103 13.864 -8.402 1.00 0.00 C ATOM 290 CD GLN A 38 8.542 14.278 -8.735 1.00 0.00 C ATOM 291 OE1 GLN A 38 9.197 14.976 -7.955 1.00 0.00 O ATOM 292 NE2 GLN A 38 9.044 13.858 -9.895 1.00 0.00 N ATOM 0 H GLN A 38 6.000 11.500 -9.671 1.00 0.00 H new ATOM 0 HA GLN A 38 8.668 11.452 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.958 12.349 -7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.521 12.672 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.540 13.759 -9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.628 14.661 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.477 13.282 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.995 14.112 -10.161 1.00 0.00 H new ATOM 301 N LEU A 39 6.223 9.417 -7.574 1.00 0.00 N ATOM 302 CA LEU A 39 5.881 8.182 -6.842 1.00 0.00 C ATOM 303 C LEU A 39 6.445 6.978 -7.630 1.00 0.00 C ATOM 304 O LEU A 39 5.956 6.698 -8.730 1.00 0.00 O ATOM 305 CB LEU A 39 4.327 8.077 -6.681 1.00 0.00 C ATOM 306 CG LEU A 39 3.771 7.352 -5.402 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.235 7.317 -5.427 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.336 5.931 -5.189 1.00 0.00 C ATOM 0 H LEU A 39 5.468 9.762 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 39 6.319 8.192 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.919 9.088 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.933 7.561 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 39 4.114 7.943 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.868 6.811 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.848 8.336 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.898 6.779 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.904 5.499 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.084 5.307 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.420 5.982 -5.083 1.00 0.00 H new ATOM 320 N PRO A 40 7.464 6.237 -7.086 1.00 0.00 N ATOM 321 CA PRO A 40 8.051 5.081 -7.791 1.00 0.00 C ATOM 322 C PRO A 40 7.102 3.869 -7.770 1.00 0.00 C ATOM 323 O PRO A 40 6.331 3.683 -6.816 1.00 0.00 O ATOM 324 CB PRO A 40 9.358 4.818 -7.007 1.00 0.00 C ATOM 325 CG PRO A 40 9.056 5.269 -5.611 1.00 0.00 C ATOM 326 CD PRO A 40 8.102 6.444 -5.752 1.00 0.00 C ATOM 0 HA PRO A 40 8.230 5.266 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.631 3.763 -7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.194 5.374 -7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.603 4.466 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.967 5.565 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.361 6.454 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.632 7.395 -5.707 1.00 0.00 H new ATOM 334 N LYS A 41 7.168 3.050 -8.833 1.00 0.00 N ATOM 335 CA LYS A 41 6.304 1.867 -8.981 1.00 0.00 C ATOM 336 C LYS A 41 6.599 0.832 -7.882 1.00 0.00 C ATOM 337 O LYS A 41 5.702 0.109 -7.454 1.00 0.00 O ATOM 338 CB LYS A 41 6.467 1.228 -10.389 1.00 0.00 C ATOM 339 CG LYS A 41 7.871 0.675 -10.709 1.00 0.00 C ATOM 340 CD LYS A 41 7.903 -0.158 -12.004 1.00 0.00 C ATOM 341 CE LYS A 41 7.459 0.627 -13.243 1.00 0.00 C ATOM 342 NZ LYS A 41 7.429 -0.234 -14.453 1.00 0.00 N ATOM 0 H LYS A 41 7.816 3.188 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 41 5.270 2.195 -8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.745 0.417 -10.486 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.210 1.975 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.572 1.505 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.212 0.059 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.915 -0.531 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.258 -1.028 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.469 1.049 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.138 1.463 -13.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.207 0.347 -15.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.358 -0.684 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.701 -0.968 -14.339 1.00 0.00 H new ATOM 356 N LYS A 42 7.854 0.833 -7.392 1.00 0.00 N ATOM 357 CA LYS A 42 8.312 -0.080 -6.332 1.00 0.00 C ATOM 358 C LYS A 42 7.583 0.193 -5.001 1.00 0.00 C ATOM 359 O LYS A 42 7.318 -0.734 -4.232 1.00 0.00 O ATOM 360 CB LYS A 42 9.855 0.026 -6.133 1.00 0.00 C ATOM 361 CG LYS A 42 10.363 1.390 -5.610 1.00 0.00 C ATOM 362 CD LYS A 42 11.883 1.412 -5.322 1.00 0.00 C ATOM 363 CE LYS A 42 12.752 1.174 -6.572 1.00 0.00 C ATOM 364 NZ LYS A 42 14.203 1.219 -6.255 1.00 0.00 N ATOM 0 H LYS A 42 8.579 1.470 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 42 8.071 -1.095 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.169 -0.751 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.343 -0.184 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.129 2.162 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.824 1.644 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.147 2.375 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.114 0.649 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.505 0.205 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.521 1.929 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.753 1.054 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.444 2.152 -5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.429 0.482 -5.557 1.00 0.00 H new ATOM 378 N ASP A 43 7.263 1.475 -4.756 1.00 0.00 N ATOM 379 CA ASP A 43 6.612 1.916 -3.507 1.00 0.00 C ATOM 380 C ASP A 43 5.118 1.533 -3.508 1.00 0.00 C ATOM 381 O ASP A 43 4.539 1.252 -2.452 1.00 0.00 O ATOM 382 CB ASP A 43 6.798 3.438 -3.313 1.00 0.00 C ATOM 383 CG ASP A 43 6.345 3.930 -1.931 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.066 3.676 -0.936 1.00 0.00 O ATOM 385 OD2 ASP A 43 5.286 4.569 -1.821 1.00 0.00 O ATOM 0 H ASP A 43 7.447 2.233 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 43 7.086 1.407 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.849 3.690 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.236 3.967 -4.082 1.00 0.00 H new ATOM 390 N ILE A 44 4.511 1.514 -4.709 1.00 0.00 N ATOM 391 CA ILE A 44 3.111 1.087 -4.888 1.00 0.00 C ATOM 392 C ILE A 44 2.994 -0.428 -4.630 1.00 0.00 C ATOM 393 O ILE A 44 2.149 -0.859 -3.850 1.00 0.00 O ATOM 394 CB ILE A 44 2.568 1.437 -6.327 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.781 2.953 -6.625 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.071 1.048 -6.491 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.318 3.411 -7.998 1.00 0.00 C ATOM 0 H ILE A 44 4.972 1.792 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 44 2.500 1.631 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 44 3.134 0.850 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.254 3.534 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.841 3.182 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.736 1.306 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.954 -0.024 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.472 1.590 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.509 4.478 -8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.863 2.863 -8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.250 3.220 -8.104 1.00 0.00 H new ATOM 409 N ILE A 45 3.877 -1.209 -5.286 1.00 0.00 N ATOM 410 CA ILE A 45 3.963 -2.681 -5.104 1.00 0.00 C ATOM 411 C ILE A 45 4.226 -3.028 -3.620 1.00 0.00 C ATOM 412 O ILE A 45 3.613 -3.953 -3.083 1.00 0.00 O ATOM 413 CB ILE A 45 5.111 -3.285 -5.996 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.860 -2.970 -7.505 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.287 -4.815 -5.763 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.051 -3.212 -8.419 1.00 0.00 C ATOM 0 H ILE A 45 4.552 -0.842 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 45 3.011 -3.114 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 45 6.044 -2.808 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.025 -3.577 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.556 -1.927 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.089 -5.190 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.537 -4.998 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.358 -5.330 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.778 -2.965 -9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.885 -2.585 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.345 -4.260 -8.364 1.00 0.00 H new ATOM 428 N LYS A 46 5.127 -2.248 -2.987 1.00 0.00 N ATOM 429 CA LYS A 46 5.473 -2.359 -1.547 1.00 0.00 C ATOM 430 C LYS A 46 4.207 -2.290 -0.672 1.00 0.00 C ATOM 431 O LYS A 46 4.006 -3.121 0.214 1.00 0.00 O ATOM 432 CB LYS A 46 6.444 -1.211 -1.156 1.00 0.00 C ATOM 433 CG LYS A 46 6.914 -1.189 0.319 1.00 0.00 C ATOM 434 CD LYS A 46 7.918 -2.313 0.653 1.00 0.00 C ATOM 435 CE LYS A 46 8.626 -2.112 2.003 1.00 0.00 C ATOM 436 NZ LYS A 46 9.349 -0.812 2.056 1.00 0.00 N ATOM 0 H LYS A 46 5.645 -1.511 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 46 5.955 -3.322 -1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.324 -1.274 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.958 -0.261 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.374 -0.224 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.046 -1.280 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.393 -3.268 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.666 -2.369 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.893 -2.154 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.330 -2.927 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.060 -0.841 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.821 -0.640 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.672 -0.046 2.245 1.00 0.00 H new ATOM 450 N PHE A 47 3.354 -1.297 -0.986 1.00 0.00 N ATOM 451 CA PHE A 47 2.094 -1.055 -0.263 1.00 0.00 C ATOM 452 C PHE A 47 1.109 -2.210 -0.479 1.00 0.00 C ATOM 453 O PHE A 47 0.547 -2.738 0.474 1.00 0.00 O ATOM 454 CB PHE A 47 1.458 0.291 -0.713 1.00 0.00 C ATOM 455 CG PHE A 47 0.178 0.702 0.025 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.041 0.497 1.395 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.870 1.330 -0.646 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.107 0.883 2.067 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.017 1.722 0.025 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.131 1.507 1.383 1.00 0.00 C ATOM 0 H PHE A 47 3.520 -0.640 -1.749 1.00 0.00 H new ATOM 0 HA PHE A 47 2.320 -0.995 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.198 1.081 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.237 0.229 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.844 0.028 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.786 1.514 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.201 0.696 3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.823 2.196 -0.516 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.019 1.826 1.909 1.00 0.00 H new ATOM 470 N LEU A 48 0.941 -2.619 -1.738 1.00 0.00 N ATOM 471 CA LEU A 48 -0.070 -3.612 -2.127 1.00 0.00 C ATOM 472 C LEU A 48 0.258 -5.012 -1.572 1.00 0.00 C ATOM 473 O LEU A 48 -0.649 -5.754 -1.220 1.00 0.00 O ATOM 474 CB LEU A 48 -0.215 -3.623 -3.666 1.00 0.00 C ATOM 475 CG LEU A 48 -0.688 -2.266 -4.283 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.708 -2.310 -5.828 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.061 -1.847 -3.709 1.00 0.00 C ATOM 0 H LEU A 48 1.500 -2.273 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.026 -3.328 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.745 -3.893 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.925 -4.402 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 48 0.040 -1.506 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.042 -1.347 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.295 -2.522 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.391 -3.092 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.368 -0.900 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.801 -2.613 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.984 -1.732 -2.628 1.00 0.00 H new ATOM 489 N GLN A 49 1.558 -5.345 -1.467 1.00 0.00 N ATOM 490 CA GLN A 49 2.005 -6.642 -0.900 1.00 0.00 C ATOM 491 C GLN A 49 2.066 -6.597 0.649 1.00 0.00 C ATOM 492 O GLN A 49 1.982 -7.647 1.305 1.00 0.00 O ATOM 493 CB GLN A 49 3.357 -7.098 -1.509 1.00 0.00 C ATOM 494 CG GLN A 49 4.584 -6.255 -1.096 1.00 0.00 C ATOM 495 CD GLN A 49 5.918 -6.753 -1.681 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.962 -6.640 -1.043 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.907 -7.276 -2.907 1.00 0.00 N ATOM 0 H GLN A 49 2.321 -4.738 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 49 1.259 -7.387 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.535 -8.134 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.272 -7.079 -2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.425 -5.224 -1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.657 -6.249 -0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.028 -7.360 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.777 -7.592 -3.334 1.00 0.00 H new ATOM 506 N GLU A 50 2.249 -5.372 1.203 1.00 0.00 N ATOM 507 CA GLU A 50 2.358 -5.120 2.667 1.00 0.00 C ATOM 508 C GLU A 50 1.159 -5.695 3.437 1.00 0.00 C ATOM 509 O GLU A 50 1.332 -6.323 4.484 1.00 0.00 O ATOM 510 CB GLU A 50 2.501 -3.579 2.929 1.00 0.00 C ATOM 511 CG GLU A 50 2.695 -3.114 4.401 1.00 0.00 C ATOM 512 CD GLU A 50 1.389 -2.973 5.209 1.00 0.00 C ATOM 513 OE1 GLU A 50 0.551 -2.120 4.835 1.00 0.00 O ATOM 514 OE2 GLU A 50 1.199 -3.692 6.215 1.00 0.00 O ATOM 0 H GLU A 50 2.326 -4.523 0.644 1.00 0.00 H new ATOM 0 HA GLU A 50 3.248 -5.632 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.349 -3.217 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.611 -3.087 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.346 -3.825 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.211 -2.154 4.400 1.00 0.00 H new ATOM 521 N HIS A 51 -0.044 -5.509 2.884 1.00 0.00 N ATOM 522 CA HIS A 51 -1.301 -5.866 3.582 1.00 0.00 C ATOM 523 C HIS A 51 -2.320 -6.528 2.637 1.00 0.00 C ATOM 524 O HIS A 51 -3.232 -7.204 3.114 1.00 0.00 O ATOM 525 CB HIS A 51 -1.909 -4.624 4.295 1.00 0.00 C ATOM 526 CG HIS A 51 -2.337 -3.518 3.376 1.00 0.00 C ATOM 527 ND1 HIS A 51 -3.616 -3.026 3.326 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.650 -2.846 2.431 1.00 0.00 C ATOM 529 CE1 HIS A 51 -3.693 -2.108 2.380 1.00 0.00 C ATOM 530 NE2 HIS A 51 -2.516 -1.983 1.827 1.00 0.00 N ATOM 0 H HIS A 51 -0.182 -5.113 1.954 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.053 -6.606 4.343 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.770 -4.944 4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.175 -4.230 4.997 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -4.386 -3.322 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.603 -2.969 2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.580 -1.554 2.109 1.00 0.00 H new ATOM 539 N GLY A 52 -2.178 -6.326 1.308 1.00 0.00 N ATOM 540 CA GLY A 52 -2.987 -7.046 0.316 1.00 0.00 C ATOM 541 C GLY A 52 -2.786 -8.558 0.402 1.00 0.00 C ATOM 542 O GLY A 52 -1.644 -9.019 0.534 1.00 0.00 O ATOM 0 H GLY A 52 -1.510 -5.670 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.040 -6.811 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.725 -6.702 -0.684 1.00 0.00 H new ATOM 546 N SER A 53 -3.897 -9.317 0.352 1.00 0.00 N ATOM 547 CA SER A 53 -3.886 -10.779 0.518 1.00 0.00 C ATOM 548 C SER A 53 -3.085 -11.476 -0.595 1.00 0.00 C ATOM 549 O SER A 53 -3.068 -11.017 -1.734 1.00 0.00 O ATOM 550 CB SER A 53 -5.334 -11.312 0.552 1.00 0.00 C ATOM 551 OG SER A 53 -5.375 -12.707 0.807 1.00 0.00 O ATOM 0 H SER A 53 -4.828 -8.931 0.195 1.00 0.00 H new ATOM 0 HA SER A 53 -3.393 -11.005 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.898 -10.785 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.821 -11.102 -0.400 1.00 0.00 H new ATOM 0 HG SER A 53 -6.307 -13.009 0.823 1.00 0.00 H new ATOM 557 N ASP A 54 -2.460 -12.608 -0.232 1.00 0.00 N ATOM 558 CA ASP A 54 -1.570 -13.386 -1.125 1.00 0.00 C ATOM 559 C ASP A 54 -2.295 -13.861 -2.400 1.00 0.00 C ATOM 560 O ASP A 54 -1.706 -13.894 -3.490 1.00 0.00 O ATOM 561 CB ASP A 54 -1.000 -14.601 -0.352 1.00 0.00 C ATOM 562 CG ASP A 54 -0.143 -15.554 -1.219 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.887 -15.106 -1.776 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.487 -16.754 -1.339 1.00 0.00 O ATOM 0 H ASP A 54 -2.556 -13.017 0.697 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.759 -12.731 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.394 -14.238 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.827 -15.164 0.080 1.00 0.00 H new ATOM 569 N SER A 55 -3.572 -14.225 -2.239 1.00 0.00 N ATOM 570 CA SER A 55 -4.441 -14.657 -3.348 1.00 0.00 C ATOM 571 C SER A 55 -4.670 -13.511 -4.365 1.00 0.00 C ATOM 572 O SER A 55 -4.689 -13.746 -5.580 1.00 0.00 O ATOM 573 CB SER A 55 -5.776 -15.161 -2.777 1.00 0.00 C ATOM 574 OG SER A 55 -5.562 -16.209 -1.843 1.00 0.00 O ATOM 0 H SER A 55 -4.038 -14.229 -1.332 1.00 0.00 H new ATOM 0 HA SER A 55 -3.950 -15.468 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.303 -14.339 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.413 -15.515 -3.588 1.00 0.00 H new ATOM 0 HG SER A 55 -6.424 -16.514 -1.490 1.00 0.00 H new ATOM 580 N PHE A 56 -4.799 -12.272 -3.850 1.00 0.00 N ATOM 581 CA PHE A 56 -4.878 -11.047 -4.678 1.00 0.00 C ATOM 582 C PHE A 56 -3.531 -10.822 -5.400 1.00 0.00 C ATOM 583 O PHE A 56 -3.498 -10.571 -6.616 1.00 0.00 O ATOM 584 CB PHE A 56 -5.256 -9.818 -3.789 1.00 0.00 C ATOM 585 CG PHE A 56 -5.118 -8.450 -4.480 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.157 -7.915 -5.243 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.939 -7.700 -4.366 1.00 0.00 C ATOM 588 CE1 PHE A 56 -6.013 -6.693 -5.879 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.804 -6.483 -5.001 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.842 -5.981 -5.751 1.00 0.00 C ATOM 0 H PHE A 56 -4.852 -12.090 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.657 -11.166 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.286 -9.936 -3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.626 -9.824 -2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.084 -8.460 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.123 -8.082 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.821 -6.298 -6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.884 -5.925 -4.909 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.738 -5.024 -6.241 1.00 0.00 H new ATOM 600 N LEU A 57 -2.436 -10.935 -4.621 1.00 0.00 N ATOM 601 CA LEU A 57 -1.063 -10.663 -5.091 1.00 0.00 C ATOM 602 C LEU A 57 -0.676 -11.588 -6.255 1.00 0.00 C ATOM 603 O LEU A 57 0.067 -11.187 -7.137 1.00 0.00 O ATOM 604 CB LEU A 57 -0.038 -10.817 -3.937 1.00 0.00 C ATOM 605 CG LEU A 57 -0.227 -9.885 -2.702 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.898 -10.097 -1.677 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.363 -8.406 -3.119 1.00 0.00 C ATOM 0 H LEU A 57 -2.480 -11.219 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.043 -9.632 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.068 -11.850 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.959 -10.646 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.164 -10.158 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.743 -9.435 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.891 -11.133 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.859 -9.873 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.493 -7.788 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.536 -8.093 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.228 -8.290 -3.772 1.00 0.00 H new ATOM 619 N ALA A 58 -1.188 -12.825 -6.236 1.00 0.00 N ATOM 620 CA ALA A 58 -0.941 -13.828 -7.290 1.00 0.00 C ATOM 621 C ALA A 58 -1.546 -13.392 -8.639 1.00 0.00 C ATOM 622 O ALA A 58 -0.873 -13.411 -9.680 1.00 0.00 O ATOM 623 CB ALA A 58 -1.517 -15.184 -6.852 1.00 0.00 C ATOM 0 H ALA A 58 -1.790 -13.164 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 58 0.136 -13.920 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.335 -15.925 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.035 -15.502 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.590 -15.087 -6.687 1.00 0.00 H new ATOM 629 N GLU A 59 -2.815 -12.969 -8.585 1.00 0.00 N ATOM 630 CA GLU A 59 -3.592 -12.542 -9.772 1.00 0.00 C ATOM 631 C GLU A 59 -2.967 -11.308 -10.461 1.00 0.00 C ATOM 632 O GLU A 59 -3.158 -11.102 -11.662 1.00 0.00 O ATOM 633 CB GLU A 59 -5.043 -12.221 -9.339 1.00 0.00 C ATOM 634 CG GLU A 59 -5.754 -13.381 -8.617 1.00 0.00 C ATOM 635 CD GLU A 59 -7.114 -12.965 -8.040 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.129 -12.142 -7.104 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.167 -13.421 -8.539 1.00 0.00 O ATOM 0 H GLU A 59 -3.342 -12.910 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.582 -13.358 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.031 -11.351 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.622 -11.947 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.895 -14.207 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.118 -13.749 -7.812 1.00 0.00 H new ATOM 644 N HIS A 60 -2.233 -10.489 -9.686 1.00 0.00 N ATOM 645 CA HIS A 60 -1.626 -9.229 -10.179 1.00 0.00 C ATOM 646 C HIS A 60 -0.078 -9.282 -10.172 1.00 0.00 C ATOM 647 O HIS A 60 0.577 -8.289 -10.521 1.00 0.00 O ATOM 648 CB HIS A 60 -2.151 -8.044 -9.328 1.00 0.00 C ATOM 649 CG HIS A 60 -3.649 -7.904 -9.374 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.494 -8.564 -8.512 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.448 -7.223 -10.221 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.740 -8.299 -8.835 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.740 -7.488 -9.866 1.00 0.00 N ATOM 0 H HIS A 60 -2.041 -10.677 -8.702 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.921 -9.089 -11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.836 -8.180 -8.293 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.694 -7.120 -9.682 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.199 -9.165 -7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.125 -6.585 -11.031 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.617 -8.684 -8.336 1.00 0.00 H new ATOM 662 N LYS A 61 0.471 -10.455 -9.763 1.00 0.00 N ATOM 663 CA LYS A 61 1.937 -10.752 -9.713 1.00 0.00 C ATOM 664 C LYS A 61 2.699 -9.825 -8.734 1.00 0.00 C ATOM 665 O LYS A 61 3.919 -9.701 -8.819 1.00 0.00 O ATOM 666 CB LYS A 61 2.575 -10.722 -11.136 1.00 0.00 C ATOM 667 CG LYS A 61 1.936 -11.718 -12.130 1.00 0.00 C ATOM 668 CD LYS A 61 2.661 -11.755 -13.497 1.00 0.00 C ATOM 669 CE LYS A 61 2.700 -10.385 -14.200 1.00 0.00 C ATOM 670 NZ LYS A 61 3.457 -10.438 -15.476 1.00 0.00 N ATOM 0 H LYS A 61 -0.100 -11.241 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 61 2.034 -11.765 -9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.489 -9.714 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.639 -10.941 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.945 -12.716 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.891 -11.448 -12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.681 -12.110 -13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.163 -12.475 -14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.682 -10.049 -14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.157 -9.650 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.231 -9.744 -15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.851 -11.391 -15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.820 -10.216 -16.267 1.00 0.00 H new ATOM 684 N LEU A 62 1.968 -9.257 -7.758 1.00 0.00 N ATOM 685 CA LEU A 62 2.504 -8.297 -6.771 1.00 0.00 C ATOM 686 C LEU A 62 3.258 -8.996 -5.626 1.00 0.00 C ATOM 687 O LEU A 62 3.921 -8.328 -4.828 1.00 0.00 O ATOM 688 CB LEU A 62 1.350 -7.432 -6.214 1.00 0.00 C ATOM 689 CG LEU A 62 0.606 -6.563 -7.268 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.631 -5.885 -6.657 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.558 -5.533 -7.915 1.00 0.00 C ATOM 0 H LEU A 62 0.975 -9.453 -7.629 1.00 0.00 H new ATOM 0 HA LEU A 62 3.228 -7.661 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.626 -8.088 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.750 -6.775 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 62 0.256 -7.226 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.130 -5.285 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.318 -6.646 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.323 -5.243 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.010 -4.940 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.961 -4.876 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.376 -6.055 -8.411 1.00 0.00 H new ATOM 703 N LEU A 63 3.138 -10.341 -5.542 1.00 0.00 N ATOM 704 CA LEU A 63 3.888 -11.149 -4.555 1.00 0.00 C ATOM 705 C LEU A 63 5.366 -11.281 -4.953 1.00 0.00 C ATOM 706 O LEU A 63 5.743 -11.056 -6.109 1.00 0.00 O ATOM 707 CB LEU A 63 3.205 -12.544 -4.317 1.00 0.00 C ATOM 708 CG LEU A 63 2.730 -13.373 -5.564 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.889 -13.861 -6.457 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.844 -14.555 -5.113 1.00 0.00 C ATOM 0 H LEU A 63 2.527 -10.890 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 63 3.863 -10.622 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.904 -13.163 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.337 -12.383 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 63 2.143 -12.695 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.487 -14.426 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.447 -13.002 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.553 -14.500 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.521 -15.122 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.414 -15.205 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.970 -14.174 -4.585 1.00 0.00 H new ATOM 722 N GLY A 64 6.184 -11.665 -3.969 1.00 0.00 N ATOM 723 CA GLY A 64 7.610 -11.870 -4.166 1.00 0.00 C ATOM 724 C GLY A 64 8.409 -10.604 -3.936 1.00 0.00 C ATOM 725 O GLY A 64 7.937 -9.671 -3.265 1.00 0.00 O ATOM 0 H GLY A 64 5.870 -11.841 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.961 -12.647 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.787 -12.230 -5.180 1.00 0.00 H new ATOM 729 N ASN A 65 9.631 -10.579 -4.483 1.00 0.00 N ATOM 730 CA ASN A 65 10.539 -9.433 -4.345 1.00 0.00 C ATOM 731 C ASN A 65 10.074 -8.299 -5.268 1.00 0.00 C ATOM 732 O ASN A 65 9.699 -8.553 -6.413 1.00 0.00 O ATOM 733 CB ASN A 65 11.993 -9.846 -4.684 1.00 0.00 C ATOM 734 CG ASN A 65 13.022 -8.808 -4.226 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.328 -7.862 -4.941 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.570 -8.991 -3.034 1.00 0.00 N ATOM 0 H ASN A 65 10.017 -11.348 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 65 10.519 -9.085 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.214 -10.804 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.084 -9.992 -5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.269 -8.334 -2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.293 -9.789 -2.463 1.00 0.00 H new ATOM 743 N ILE A 66 10.141 -7.066 -4.769 1.00 0.00 N ATOM 744 CA ILE A 66 9.562 -5.895 -5.451 1.00 0.00 C ATOM 745 C ILE A 66 10.191 -5.647 -6.841 1.00 0.00 C ATOM 746 O ILE A 66 9.456 -5.397 -7.788 1.00 0.00 O ATOM 747 CB ILE A 66 9.699 -4.604 -4.582 1.00 0.00 C ATOM 748 CG1 ILE A 66 9.097 -4.826 -3.169 1.00 0.00 C ATOM 749 CG2 ILE A 66 9.043 -3.389 -5.274 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.326 -3.672 -2.222 1.00 0.00 C ATOM 0 H ILE A 66 10.596 -6.844 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 66 8.506 -6.124 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 66 10.762 -4.388 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.025 -4.999 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.529 -5.729 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.156 -2.507 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.527 -3.213 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.983 -3.589 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.877 -3.900 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.397 -3.512 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.870 -2.770 -2.630 1.00 0.00 H new ATOM 762 N LYS A 67 11.540 -5.690 -6.953 1.00 0.00 N ATOM 763 CA LYS A 67 12.245 -5.429 -8.241 1.00 0.00 C ATOM 764 C LYS A 67 11.815 -6.453 -9.322 1.00 0.00 C ATOM 765 O LYS A 67 11.675 -6.110 -10.507 1.00 0.00 O ATOM 766 CB LYS A 67 13.792 -5.444 -8.056 1.00 0.00 C ATOM 767 CG LYS A 67 14.413 -6.831 -7.741 1.00 0.00 C ATOM 768 CD LYS A 67 15.945 -6.780 -7.512 1.00 0.00 C ATOM 769 CE LYS A 67 16.339 -5.958 -6.269 1.00 0.00 C ATOM 770 NZ LYS A 67 15.776 -6.516 -5.008 1.00 0.00 N ATOM 0 H LYS A 67 12.163 -5.901 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 67 11.959 -4.432 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.253 -5.057 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.051 -4.758 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.934 -7.243 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.198 -7.513 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.325 -7.796 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.425 -6.351 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.426 -5.922 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.994 -4.932 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.772 -5.779 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.803 -6.842 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.360 -7.317 -4.692 1.00 0.00 H new ATOM 784 N ASN A 68 11.589 -7.706 -8.872 1.00 0.00 N ATOM 785 CA ASN A 68 11.104 -8.824 -9.711 1.00 0.00 C ATOM 786 C ASN A 68 9.713 -8.510 -10.299 1.00 0.00 C ATOM 787 O ASN A 68 9.422 -8.824 -11.460 1.00 0.00 O ATOM 788 CB ASN A 68 11.070 -10.134 -8.868 1.00 0.00 C ATOM 789 CG ASN A 68 10.546 -11.365 -9.630 1.00 0.00 C ATOM 790 OD1 ASN A 68 11.311 -12.093 -10.259 1.00 0.00 O ATOM 791 ND2 ASN A 68 9.237 -11.610 -9.570 1.00 0.00 N ATOM 0 H ASN A 68 11.741 -7.974 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 68 11.790 -8.960 -10.547 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.076 -10.346 -8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.444 -9.971 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.847 -12.419 -10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.626 -10.989 -9.040 1.00 0.00 H new ATOM 798 N VAL A 69 8.862 -7.901 -9.460 1.00 0.00 N ATOM 799 CA VAL A 69 7.520 -7.446 -9.870 1.00 0.00 C ATOM 800 C VAL A 69 7.626 -6.192 -10.768 1.00 0.00 C ATOM 801 O VAL A 69 6.944 -6.087 -11.776 1.00 0.00 O ATOM 802 CB VAL A 69 6.615 -7.093 -8.627 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.164 -6.760 -9.066 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.643 -8.214 -7.559 1.00 0.00 C ATOM 0 H VAL A 69 9.081 -7.710 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 69 7.062 -8.269 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 69 7.033 -6.200 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.564 -6.521 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.175 -5.905 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.732 -7.620 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.007 -7.933 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.276 -9.143 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.665 -8.357 -7.208 1.00 0.00 H new ATOM 814 N ALA A 70 8.550 -5.283 -10.401 1.00 0.00 N ATOM 815 CA ALA A 70 8.680 -3.928 -10.991 1.00 0.00 C ATOM 816 C ALA A 70 9.260 -3.940 -12.418 1.00 0.00 C ATOM 817 O ALA A 70 9.318 -2.892 -13.071 1.00 0.00 O ATOM 818 CB ALA A 70 9.538 -3.038 -10.067 1.00 0.00 C ATOM 0 H ALA A 70 9.241 -5.469 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 70 7.674 -3.518 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.631 -2.044 -10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.061 -2.962 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.528 -3.479 -9.954 1.00 0.00 H new ATOM 824 N LYS A 71 9.683 -5.113 -12.902 1.00 0.00 N ATOM 825 CA LYS A 71 10.181 -5.260 -14.281 1.00 0.00 C ATOM 826 C LYS A 71 9.026 -5.620 -15.246 1.00 0.00 C ATOM 827 O LYS A 71 9.144 -5.423 -16.460 1.00 0.00 O ATOM 828 CB LYS A 71 11.306 -6.327 -14.346 1.00 0.00 C ATOM 829 CG LYS A 71 10.848 -7.791 -14.178 1.00 0.00 C ATOM 830 CD LYS A 71 12.003 -8.825 -14.287 1.00 0.00 C ATOM 831 CE LYS A 71 12.684 -8.889 -15.680 1.00 0.00 C ATOM 832 NZ LYS A 71 13.591 -7.746 -15.964 1.00 0.00 N ATOM 0 H LYS A 71 9.692 -5.978 -12.361 1.00 0.00 H new ATOM 0 HA LYS A 71 10.600 -4.304 -14.596 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.816 -6.233 -15.304 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.039 -6.103 -13.571 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.364 -7.902 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.098 -8.017 -14.936 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.759 -8.586 -13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.613 -9.813 -14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.252 -9.817 -15.753 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.912 -8.926 -16.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.139 -7.105 -16.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.786 -7.230 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.484 -8.102 -16.362 1.00 0.00 H new ATOM 846 N THR A 72 7.903 -6.121 -14.685 1.00 0.00 N ATOM 847 CA THR A 72 6.721 -6.557 -15.455 1.00 0.00 C ATOM 848 C THR A 72 5.461 -5.752 -15.057 1.00 0.00 C ATOM 849 O THR A 72 4.466 -5.762 -15.787 1.00 0.00 O ATOM 850 CB THR A 72 6.481 -8.100 -15.275 1.00 0.00 C ATOM 851 OG1 THR A 72 5.355 -8.533 -16.053 1.00 0.00 O ATOM 852 CG2 THR A 72 6.265 -8.506 -13.803 1.00 0.00 C ATOM 0 H THR A 72 7.793 -6.234 -13.677 1.00 0.00 H new ATOM 0 HA THR A 72 6.917 -6.361 -16.509 1.00 0.00 H new ATOM 0 HB THR A 72 7.389 -8.590 -15.626 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.607 -9.317 -16.585 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.105 -9.582 -13.742 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.145 -8.237 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.393 -7.986 -13.406 1.00 0.00 H new ATOM 860 N ALA A 73 5.518 -5.044 -13.918 1.00 0.00 N ATOM 861 CA ALA A 73 4.400 -4.221 -13.421 1.00 0.00 C ATOM 862 C ALA A 73 4.509 -2.795 -13.962 1.00 0.00 C ATOM 863 O ALA A 73 5.284 -1.976 -13.443 1.00 0.00 O ATOM 864 CB ALA A 73 4.354 -4.226 -11.885 1.00 0.00 C ATOM 0 H ALA A 73 6.340 -5.025 -13.314 1.00 0.00 H new ATOM 0 HA ALA A 73 3.467 -4.654 -13.781 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.521 -3.612 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.222 -5.247 -11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.287 -3.822 -11.492 1.00 0.00 H new ATOM 870 N ASN A 74 3.765 -2.532 -15.046 1.00 0.00 N ATOM 871 CA ASN A 74 3.618 -1.183 -15.628 1.00 0.00 C ATOM 872 C ASN A 74 2.861 -0.284 -14.633 1.00 0.00 C ATOM 873 O ASN A 74 2.119 -0.796 -13.782 1.00 0.00 O ATOM 874 CB ASN A 74 2.846 -1.275 -16.981 1.00 0.00 C ATOM 875 CG ASN A 74 2.705 0.051 -17.740 1.00 0.00 C ATOM 876 OD1 ASN A 74 3.569 0.923 -17.675 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.611 0.204 -18.474 1.00 0.00 N ATOM 0 H ASN A 74 3.244 -3.251 -15.549 1.00 0.00 H new ATOM 0 HA ASN A 74 4.601 -0.752 -15.820 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.356 -1.992 -17.625 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.850 -1.673 -16.787 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.469 1.063 -19.005 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.912 -0.538 -18.508 1.00 0.00 H new ATOM 884 N LYS A 75 3.035 1.043 -14.737 1.00 0.00 N ATOM 885 CA LYS A 75 2.355 1.990 -13.841 1.00 0.00 C ATOM 886 C LYS A 75 0.823 1.920 -14.053 1.00 0.00 C ATOM 887 O LYS A 75 0.057 1.970 -13.094 1.00 0.00 O ATOM 888 CB LYS A 75 2.878 3.440 -14.038 1.00 0.00 C ATOM 889 CG LYS A 75 2.395 4.428 -12.951 1.00 0.00 C ATOM 890 CD LYS A 75 2.863 4.023 -11.523 1.00 0.00 C ATOM 891 CE LYS A 75 4.342 4.351 -11.234 1.00 0.00 C ATOM 892 NZ LYS A 75 4.591 5.814 -11.196 1.00 0.00 N ATOM 0 H LYS A 75 3.639 1.483 -15.431 1.00 0.00 H new ATOM 0 HA LYS A 75 2.579 1.703 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.968 3.426 -14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.558 3.803 -15.015 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.767 5.426 -13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.306 4.481 -12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.238 4.531 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.705 2.953 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.631 3.909 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.970 3.896 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.253 6.033 -10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.000 6.120 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.694 6.315 -11.035 1.00 0.00 H new ATOM 906 N ASP A 76 0.410 1.768 -15.325 1.00 0.00 N ATOM 907 CA ASP A 76 -1.008 1.590 -15.725 1.00 0.00 C ATOM 908 C ASP A 76 -1.586 0.267 -15.170 1.00 0.00 C ATOM 909 O ASP A 76 -2.765 0.201 -14.794 1.00 0.00 O ATOM 910 CB ASP A 76 -1.115 1.636 -17.273 1.00 0.00 C ATOM 911 CG ASP A 76 -2.535 1.390 -17.825 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.404 2.272 -17.668 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.779 0.323 -18.443 1.00 0.00 O ATOM 0 H ASP A 76 1.054 1.765 -16.116 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.598 2.402 -15.301 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.768 2.609 -17.620 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.441 0.889 -17.693 1.00 0.00 H new ATOM 918 N HIS A 77 -0.732 -0.777 -15.102 1.00 0.00 N ATOM 919 CA HIS A 77 -1.069 -2.087 -14.485 1.00 0.00 C ATOM 920 C HIS A 77 -1.272 -1.901 -12.970 1.00 0.00 C ATOM 921 O HIS A 77 -2.157 -2.515 -12.374 1.00 0.00 O ATOM 922 CB HIS A 77 0.068 -3.122 -14.762 1.00 0.00 C ATOM 923 CG HIS A 77 -0.221 -4.547 -14.334 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.572 -5.534 -15.229 1.00 0.00 N ATOM 925 CD2 HIS A 77 -0.192 -5.150 -13.114 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.749 -6.671 -14.587 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.524 -6.471 -13.303 1.00 0.00 N ATOM 0 H HIS A 77 0.217 -0.739 -15.474 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.991 -2.468 -14.924 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.284 -3.120 -15.830 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.972 -2.786 -14.254 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.047 -4.678 -12.172 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.032 -7.611 -15.038 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.586 -7.179 -12.571 1.00 0.00 H new ATOM 936 N LEU A 78 -0.434 -1.044 -12.368 1.00 0.00 N ATOM 937 CA LEU A 78 -0.460 -0.765 -10.920 1.00 0.00 C ATOM 938 C LEU A 78 -1.642 0.114 -10.520 1.00 0.00 C ATOM 939 O LEU A 78 -2.077 0.040 -9.386 1.00 0.00 O ATOM 940 CB LEU A 78 0.870 -0.132 -10.441 1.00 0.00 C ATOM 941 CG LEU A 78 2.097 -1.089 -10.470 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.361 -0.374 -9.988 1.00 0.00 C ATOM 943 CD2 LEU A 78 1.828 -2.370 -9.644 1.00 0.00 C ATOM 0 H LEU A 78 0.284 -0.522 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.583 -1.727 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.089 0.735 -11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.736 0.233 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 78 2.259 -1.393 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.204 -1.065 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.567 0.478 -10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.214 -0.025 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.703 -3.019 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.624 -2.099 -8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.968 -2.896 -10.058 1.00 0.00 H new ATOM 955 N VAL A 79 -2.151 0.945 -11.444 1.00 0.00 N ATOM 956 CA VAL A 79 -3.387 1.727 -11.222 1.00 0.00 C ATOM 957 C VAL A 79 -4.591 0.771 -11.175 1.00 0.00 C ATOM 958 O VAL A 79 -5.455 0.877 -10.292 1.00 0.00 O ATOM 959 CB VAL A 79 -3.602 2.826 -12.334 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.956 3.557 -12.161 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.430 3.837 -12.344 1.00 0.00 C ATOM 0 H VAL A 79 -1.725 1.096 -12.359 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.291 2.251 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.625 2.316 -13.297 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.068 4.306 -12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.770 2.836 -12.229 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.984 4.045 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.601 4.585 -13.119 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.365 4.329 -11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.497 3.311 -12.547 1.00 0.00 H new ATOM 971 N THR A 80 -4.599 -0.181 -12.124 1.00 0.00 N ATOM 972 CA THR A 80 -5.609 -1.250 -12.207 1.00 0.00 C ATOM 973 C THR A 80 -5.633 -2.084 -10.906 1.00 0.00 C ATOM 974 O THR A 80 -6.679 -2.224 -10.268 1.00 0.00 O ATOM 975 CB THR A 80 -5.316 -2.179 -13.435 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.261 -1.390 -14.634 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.367 -3.292 -13.614 1.00 0.00 C ATOM 0 H THR A 80 -3.897 -0.230 -12.863 1.00 0.00 H new ATOM 0 HA THR A 80 -6.587 -0.786 -12.338 1.00 0.00 H new ATOM 0 HB THR A 80 -4.359 -2.663 -13.242 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.411 -0.903 -14.666 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.108 -3.901 -14.480 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.388 -3.919 -12.723 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.349 -2.844 -13.766 1.00 0.00 H new ATOM 985 N ALA A 81 -4.450 -2.565 -10.484 1.00 0.00 N ATOM 986 CA ALA A 81 -4.300 -3.434 -9.302 1.00 0.00 C ATOM 987 C ALA A 81 -4.669 -2.697 -8.000 1.00 0.00 C ATOM 988 O ALA A 81 -5.410 -3.227 -7.163 1.00 0.00 O ATOM 989 CB ALA A 81 -2.858 -3.959 -9.227 1.00 0.00 C ATOM 0 H ALA A 81 -3.568 -2.362 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.989 -4.272 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.750 -4.601 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.632 -4.530 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.168 -3.119 -9.148 1.00 0.00 H new ATOM 995 N TYR A 82 -4.148 -1.458 -7.876 1.00 0.00 N ATOM 996 CA TYR A 82 -4.330 -0.595 -6.695 1.00 0.00 C ATOM 997 C TYR A 82 -5.821 -0.336 -6.450 1.00 0.00 C ATOM 998 O TYR A 82 -6.360 -0.736 -5.427 1.00 0.00 O ATOM 999 CB TYR A 82 -3.565 0.735 -6.924 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.577 1.735 -5.764 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.691 1.604 -4.695 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.448 2.831 -5.754 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.678 2.521 -3.677 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.416 3.752 -4.740 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.535 3.580 -3.703 1.00 0.00 C ATOM 1006 OH TYR A 82 -3.462 4.506 -2.705 1.00 0.00 O ATOM 0 H TYR A 82 -3.581 -1.025 -8.605 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.931 -1.090 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.528 0.497 -7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.986 1.225 -7.802 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.006 0.769 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.157 2.953 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.988 2.404 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.078 4.605 -4.757 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.541 4.558 -2.374 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.491 0.221 -7.473 1.00 0.00 N ATOM 1017 CA ASN A 83 -7.908 0.618 -7.387 1.00 0.00 C ATOM 1018 C ASN A 83 -8.823 -0.593 -7.079 1.00 0.00 C ATOM 1019 O ASN A 83 -9.719 -0.502 -6.228 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.362 1.358 -8.685 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.052 2.868 -8.675 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.877 3.674 -8.246 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -6.877 3.275 -9.156 1.00 0.00 N ATOM 0 H ASN A 83 -6.067 0.409 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.004 1.314 -6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.872 0.901 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.435 1.217 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.649 4.269 -9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.206 2.592 -9.507 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.550 -1.736 -7.736 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.312 -2.990 -7.536 1.00 0.00 C ATOM 1032 C HIS A 84 -9.089 -3.606 -6.134 1.00 0.00 C ATOM 1033 O HIS A 84 -9.967 -4.337 -5.659 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.013 -4.037 -8.651 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.718 -3.762 -9.957 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -11.092 -3.709 -10.069 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.240 -3.556 -11.207 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.426 -3.483 -11.324 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.322 -3.386 -12.037 1.00 0.00 N ATOM 0 H HIS A 84 -7.797 -1.820 -8.419 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.364 -2.714 -7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.938 -4.066 -8.829 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.303 -5.025 -8.294 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -11.749 -3.827 -9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.200 -3.530 -11.498 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.433 -3.393 -11.703 1.00 0.00 H new ATOM 1048 N LEU A 85 -7.937 -3.324 -5.472 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.663 -3.855 -4.107 1.00 0.00 C ATOM 1050 C LEU A 85 -8.698 -3.338 -3.102 1.00 0.00 C ATOM 1051 O LEU A 85 -9.317 -4.112 -2.382 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.245 -3.454 -3.585 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.890 -3.959 -2.136 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.961 -5.501 -2.015 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.522 -3.423 -1.656 1.00 0.00 C ATOM 0 H LEU A 85 -7.192 -2.741 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.718 -4.940 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.499 -3.840 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.164 -2.367 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.654 -3.550 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.708 -5.798 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.970 -5.838 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.255 -5.953 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.317 -3.796 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.740 -3.761 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.543 -2.333 -1.641 1.00 0.00 H new ATOM 1067 N PHE A 86 -8.835 -2.008 -3.078 1.00 0.00 N ATOM 1068 CA PHE A 86 -9.730 -1.276 -2.159 1.00 0.00 C ATOM 1069 C PHE A 86 -11.199 -1.409 -2.602 1.00 0.00 C ATOM 1070 O PHE A 86 -12.118 -1.189 -1.811 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.286 0.201 -2.068 1.00 0.00 C ATOM 1072 CG PHE A 86 -7.773 0.357 -1.889 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.141 0.090 -0.678 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -6.981 0.738 -2.954 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -5.765 0.209 -0.549 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -5.620 0.846 -2.822 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.011 0.586 -1.623 1.00 0.00 C ATOM 0 H PHE A 86 -8.319 -1.393 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.659 -1.714 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.596 0.725 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.797 0.678 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.731 -0.214 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.441 0.955 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.291 0.004 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.022 1.139 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.939 0.679 -1.528 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.404 -1.748 -3.892 1.00 0.00 N ATOM 1088 CA GLU A 87 -12.745 -2.002 -4.462 1.00 0.00 C ATOM 1089 C GLU A 87 -13.352 -3.311 -3.896 1.00 0.00 C ATOM 1090 O GLU A 87 -14.571 -3.460 -3.814 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.646 -2.076 -6.011 1.00 0.00 C ATOM 1092 CG GLU A 87 -13.991 -2.186 -6.757 1.00 0.00 C ATOM 1093 CD GLU A 87 -13.819 -2.447 -8.263 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.710 -3.629 -8.661 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -13.772 -1.478 -9.054 1.00 0.00 O ATOM 0 H GLU A 87 -10.647 -1.853 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.405 -1.181 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.124 -1.188 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.031 -2.935 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.579 -2.992 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.556 -1.265 -6.615 1.00 0.00 H new ATOM 1102 N THR A 88 -12.484 -4.249 -3.484 1.00 0.00 N ATOM 1103 CA THR A 88 -12.887 -5.548 -2.907 1.00 0.00 C ATOM 1104 C THR A 88 -12.507 -5.629 -1.413 1.00 0.00 C ATOM 1105 O THR A 88 -13.094 -6.409 -0.656 1.00 0.00 O ATOM 1106 CB THR A 88 -12.201 -6.707 -3.693 1.00 0.00 C ATOM 1107 OG1 THR A 88 -10.788 -6.447 -3.789 1.00 0.00 O ATOM 1108 CG2 THR A 88 -12.786 -6.876 -5.109 1.00 0.00 C ATOM 0 H THR A 88 -11.473 -4.129 -3.541 1.00 0.00 H new ATOM 0 HA THR A 88 -13.970 -5.642 -2.990 1.00 0.00 H new ATOM 0 HB THR A 88 -12.385 -7.632 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.629 -5.741 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.277 -7.695 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.851 -7.099 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.645 -5.954 -5.673 1.00 0.00 H new ATOM 1116 N LYS A 89 -11.525 -4.797 -1.013 1.00 0.00 N ATOM 1117 CA LYS A 89 -10.945 -4.761 0.349 1.00 0.00 C ATOM 1118 C LYS A 89 -10.416 -6.143 0.798 1.00 0.00 C ATOM 1119 O LYS A 89 -10.649 -6.584 1.926 1.00 0.00 O ATOM 1120 CB LYS A 89 -11.951 -4.137 1.357 1.00 0.00 C ATOM 1121 CG LYS A 89 -12.328 -2.680 1.009 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.418 -2.086 1.922 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.783 -0.648 1.514 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.877 -0.081 2.339 1.00 0.00 N ATOM 0 H LYS A 89 -11.101 -4.114 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.070 -4.112 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.856 -4.744 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.520 -4.166 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.435 -2.058 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.671 -2.640 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.309 -2.713 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.071 -2.094 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.901 -0.014 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.080 -0.636 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.084 0.888 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.729 -0.668 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.586 -0.065 3.337 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.659 -6.791 -0.107 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.013 -8.115 0.135 1.00 0.00 C ATOM 1140 C ARG A 90 -7.835 -8.013 1.121 1.00 0.00 C ATOM 1141 O ARG A 90 -7.350 -9.025 1.630 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.503 -8.701 -1.205 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.613 -8.984 -2.227 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.060 -9.378 -3.602 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.140 -9.628 -4.572 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.965 -9.928 -5.869 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -8.749 -10.005 -6.388 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.020 -10.157 -6.630 1.00 0.00 N ATOM 0 H ARG A 90 -9.471 -6.416 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.766 -8.769 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.788 -8.006 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.965 -9.627 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.251 -9.785 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.240 -8.099 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.412 -8.584 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.444 -10.272 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.099 -9.568 -4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.932 -9.836 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.629 -10.234 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.957 -10.105 -6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.897 -10.386 -7.616 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.366 -6.786 1.336 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.272 -6.486 2.265 1.00 0.00 C ATOM 1164 C PHE A 91 -6.715 -6.616 3.737 1.00 0.00 C ATOM 1165 O PHE A 91 -7.913 -6.611 4.037 1.00 0.00 O ATOM 1166 CB PHE A 91 -5.723 -5.059 1.993 1.00 0.00 C ATOM 1167 CG PHE A 91 -6.732 -3.912 2.185 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -6.921 -3.299 3.427 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.486 -3.444 1.117 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -7.823 -2.267 3.584 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.389 -2.408 1.281 1.00 0.00 C ATOM 1172 CZ PHE A 91 -8.557 -1.822 2.514 1.00 0.00 C ATOM 0 H PHE A 91 -7.737 -5.960 0.866 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.482 -7.218 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.872 -4.885 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.348 -5.022 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.351 -3.639 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.366 -3.895 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.952 -1.808 4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.964 -2.058 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.264 -1.015 2.639 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.731 -6.750 4.631 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.920 -6.590 6.081 1.00 0.00 C ATOM 1184 C LYS A 92 -5.817 -5.077 6.423 1.00 0.00 C ATOM 1185 O LYS A 92 -6.780 -4.509 6.990 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.887 -7.465 6.882 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.414 -7.325 6.428 1.00 0.00 C ATOM 1188 CD LYS A 92 -2.434 -8.236 7.199 1.00 0.00 C ATOM 1189 CE LYS A 92 -0.988 -8.138 6.662 1.00 0.00 C ATOM 1190 NZ LYS A 92 -0.044 -8.987 7.431 1.00 0.00 N ATOM 1191 OXT LYS A 92 -4.813 -4.439 6.025 1.00 0.00 O ATOM 0 H LYS A 92 -4.771 -6.975 4.369 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.906 -6.947 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.952 -7.200 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.179 -8.512 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.348 -7.554 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.103 -6.287 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.445 -7.965 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.774 -9.269 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.971 -8.437 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.657 -7.100 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.913 -8.889 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.039 -8.687 8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.343 -9.981 7.371 1.00 0.00 H new