USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=11 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 60 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-1.2) USER MOD Set 1.2: A 77 HIS : no HD1:sc=-0.000271 X(o=-0.72,f=-0.71) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 33 GLN : amide:sc= -0.386 K(o=-0.39,f=-4.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 0.869 (180deg=0.75) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.28) USER MOD Single : A 51 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.42) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.577 K(o=-0.58,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.36 K(o=-1.4,f=-6.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -24:sc= 0.273 USER MOD Single : A 74 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= 1.29 (180deg=0.654) USER MOD Single : A 80 THR OG1 : rot 72:sc= 0.4 USER MOD Single : A 82 TYR OH : rot 57:sc= 0.552 USER MOD Single : A 83 ASN : amide:sc= -0.645 K(o=-0.65,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 88 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= -0.03 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.252 4.664 1.633 1.00 0.00 N ATOM 96 CA ARG A 27 -4.480 5.075 0.448 1.00 0.00 C ATOM 97 C ARG A 27 -3.559 6.272 0.758 1.00 0.00 C ATOM 98 O ARG A 27 -3.989 7.317 1.266 1.00 0.00 O ATOM 99 CB ARG A 27 -5.359 5.383 -0.799 1.00 0.00 C ATOM 100 CG ARG A 27 -6.213 6.669 -0.747 1.00 0.00 C ATOM 101 CD ARG A 27 -7.436 6.533 0.158 1.00 0.00 C ATOM 102 NE ARG A 27 -8.363 5.521 -0.371 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.302 4.871 0.323 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.512 5.144 1.602 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.029 3.954 -0.290 1.00 0.00 N ATOM 0 HA ARG A 27 -3.868 4.210 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.705 5.444 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.027 4.537 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.596 7.495 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.540 6.923 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.121 6.255 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.945 7.494 0.237 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.281 5.294 -1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.954 5.858 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.232 4.640 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.869 3.752 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.750 3.448 0.224 1.00 0.00 H new ATOM 119 N ALA A 28 -2.287 6.072 0.456 1.00 0.00 N ATOM 120 CA ALA A 28 -1.224 7.055 0.687 1.00 0.00 C ATOM 121 C ALA A 28 -1.160 8.049 -0.483 1.00 0.00 C ATOM 122 O ALA A 28 -0.629 9.153 -0.341 1.00 0.00 O ATOM 123 CB ALA A 28 0.121 6.329 0.871 1.00 0.00 C ATOM 0 H ALA A 28 -1.950 5.206 0.034 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.440 7.618 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.910 7.062 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.058 5.657 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.349 5.753 -0.026 1.00 0.00 H new ATOM 129 N TRP A 29 -1.706 7.627 -1.645 1.00 0.00 N ATOM 130 CA TRP A 29 -1.680 8.393 -2.906 1.00 0.00 C ATOM 131 C TRP A 29 -3.029 8.233 -3.637 1.00 0.00 C ATOM 132 O TRP A 29 -3.673 7.181 -3.521 1.00 0.00 O ATOM 133 CB TRP A 29 -0.538 7.870 -3.833 1.00 0.00 C ATOM 134 CG TRP A 29 0.805 7.711 -3.146 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.647 8.705 -2.730 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.430 6.474 -2.768 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.759 8.157 -2.130 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.649 6.794 -2.145 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.083 5.130 -2.908 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.515 5.817 -1.657 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.943 4.164 -2.425 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.148 4.510 -1.809 1.00 0.00 C ATOM 0 H TRP A 29 -2.184 6.730 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.504 9.443 -2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.836 6.907 -4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.424 8.557 -4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.467 9.763 -2.854 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.539 8.683 -1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.156 4.850 -3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.444 6.084 -1.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.679 3.122 -2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.801 3.730 -1.446 1.00 0.00 H new ATOM 153 N THR A 30 -3.454 9.283 -4.365 1.00 0.00 N ATOM 154 CA THR A 30 -4.594 9.199 -5.299 1.00 0.00 C ATOM 155 C THR A 30 -4.117 8.626 -6.648 1.00 0.00 C ATOM 156 O THR A 30 -2.913 8.439 -6.845 1.00 0.00 O ATOM 157 CB THR A 30 -5.254 10.601 -5.527 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.248 11.551 -5.913 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.999 11.109 -4.276 1.00 0.00 C ATOM 0 H THR A 30 -3.022 10.206 -4.324 1.00 0.00 H new ATOM 0 HA THR A 30 -5.343 8.541 -4.859 1.00 0.00 H new ATOM 0 HB THR A 30 -5.992 10.491 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.663 12.427 -6.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.439 12.084 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.788 10.405 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.298 11.198 -3.446 1.00 0.00 H new ATOM 167 N VAL A 31 -5.072 8.377 -7.570 1.00 0.00 N ATOM 168 CA VAL A 31 -4.794 7.832 -8.917 1.00 0.00 C ATOM 169 C VAL A 31 -3.710 8.657 -9.658 1.00 0.00 C ATOM 170 O VAL A 31 -2.769 8.082 -10.210 1.00 0.00 O ATOM 171 CB VAL A 31 -6.129 7.730 -9.766 1.00 0.00 C ATOM 172 CG1 VAL A 31 -5.876 7.453 -11.273 1.00 0.00 C ATOM 173 CG2 VAL A 31 -7.074 6.661 -9.158 1.00 0.00 C ATOM 0 H VAL A 31 -6.063 8.549 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.395 6.825 -8.793 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.610 8.707 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.830 7.395 -11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.278 8.260 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.342 6.509 -11.385 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.986 6.602 -9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.576 5.691 -9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.325 6.937 -8.134 1.00 0.00 H new ATOM 183 N GLU A 32 -3.830 10.002 -9.614 1.00 0.00 N ATOM 184 CA GLU A 32 -2.865 10.924 -10.254 1.00 0.00 C ATOM 185 C GLU A 32 -1.478 10.850 -9.574 1.00 0.00 C ATOM 186 O GLU A 32 -0.450 10.801 -10.262 1.00 0.00 O ATOM 187 CB GLU A 32 -3.408 12.386 -10.250 1.00 0.00 C ATOM 188 CG GLU A 32 -3.647 12.989 -8.850 1.00 0.00 C ATOM 189 CD GLU A 32 -4.103 14.453 -8.884 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.256 15.339 -9.131 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.299 14.728 -8.659 1.00 0.00 O ATOM 0 H GLU A 32 -4.595 10.478 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.743 10.608 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.703 13.021 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.346 12.411 -10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.399 12.395 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.727 12.917 -8.270 1.00 0.00 H new ATOM 198 N GLN A 33 -1.460 10.806 -8.224 1.00 0.00 N ATOM 199 CA GLN A 33 -0.211 10.731 -7.430 1.00 0.00 C ATOM 200 C GLN A 33 0.533 9.405 -7.696 1.00 0.00 C ATOM 201 O GLN A 33 1.766 9.353 -7.600 1.00 0.00 O ATOM 202 CB GLN A 33 -0.512 10.897 -5.913 1.00 0.00 C ATOM 203 CG GLN A 33 -1.147 12.249 -5.494 1.00 0.00 C ATOM 204 CD GLN A 33 -0.237 13.483 -5.639 1.00 0.00 C ATOM 205 OE1 GLN A 33 0.610 13.564 -6.518 1.00 0.00 O ATOM 206 NE2 GLN A 33 -0.408 14.460 -4.762 1.00 0.00 N ATOM 0 H GLN A 33 -2.306 10.821 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 33 0.436 11.551 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.180 10.093 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.419 10.768 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.045 12.409 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.465 12.174 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.119 14.375 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.172 15.298 -4.812 1.00 0.00 H new ATOM 215 N LEU A 34 -0.231 8.350 -8.034 1.00 0.00 N ATOM 216 CA LEU A 34 0.326 7.060 -8.464 1.00 0.00 C ATOM 217 C LEU A 34 0.976 7.210 -9.847 1.00 0.00 C ATOM 218 O LEU A 34 2.166 6.952 -10.005 1.00 0.00 O ATOM 219 CB LEU A 34 -0.780 5.984 -8.537 1.00 0.00 C ATOM 220 CG LEU A 34 -1.494 5.630 -7.203 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.728 4.756 -7.466 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.533 4.953 -6.199 1.00 0.00 C ATOM 0 H LEU A 34 -1.251 8.371 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 34 1.074 6.749 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.534 6.318 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.342 5.072 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.826 6.563 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.214 4.519 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.425 5.295 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.422 3.833 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.071 4.722 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.143 4.032 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.294 5.627 -5.976 1.00 0.00 H new ATOM 234 N ARG A 35 0.178 7.744 -10.815 1.00 0.00 N ATOM 235 CA ARG A 35 0.566 7.849 -12.245 1.00 0.00 C ATOM 236 C ARG A 35 1.756 8.801 -12.454 1.00 0.00 C ATOM 237 O ARG A 35 2.361 8.812 -13.534 1.00 0.00 O ATOM 238 CB ARG A 35 -0.629 8.297 -13.128 1.00 0.00 C ATOM 239 CG ARG A 35 -1.827 7.326 -13.136 1.00 0.00 C ATOM 240 CD ARG A 35 -2.955 7.769 -14.088 1.00 0.00 C ATOM 241 NE ARG A 35 -2.548 7.701 -15.500 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.259 8.156 -16.543 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.434 8.743 -16.372 1.00 0.00 N ATOM 244 NH2 ARG A 35 -2.778 8.017 -17.763 1.00 0.00 N ATOM 0 H ARG A 35 -0.753 8.113 -10.621 1.00 0.00 H new ATOM 0 HA ARG A 35 0.874 6.850 -12.553 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.972 9.272 -12.783 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.278 8.427 -14.152 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.482 6.334 -13.428 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.225 7.241 -12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.829 7.136 -13.933 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.253 8.789 -13.846 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.646 7.270 -15.704 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.815 8.857 -15.433 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.957 9.081 -17.179 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.874 7.567 -17.907 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.310 8.359 -18.563 1.00 0.00 H new ATOM 258 N SER A 36 2.056 9.615 -11.427 1.00 0.00 N ATOM 259 CA SER A 36 3.277 10.418 -11.370 1.00 0.00 C ATOM 260 C SER A 36 4.502 9.486 -11.426 1.00 0.00 C ATOM 261 O SER A 36 4.679 8.625 -10.561 1.00 0.00 O ATOM 262 CB SER A 36 3.295 11.270 -10.085 1.00 0.00 C ATOM 263 OG SER A 36 4.473 12.062 -9.997 1.00 0.00 O ATOM 0 H SER A 36 1.452 9.731 -10.613 1.00 0.00 H new ATOM 0 HA SER A 36 3.308 11.095 -12.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.418 11.918 -10.065 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.229 10.617 -9.214 1.00 0.00 H new ATOM 0 HG SER A 36 4.451 12.590 -9.172 1.00 0.00 H new ATOM 269 N GLU A 37 5.308 9.649 -12.485 1.00 0.00 N ATOM 270 CA GLU A 37 6.544 8.875 -12.717 1.00 0.00 C ATOM 271 C GLU A 37 7.616 9.170 -11.649 1.00 0.00 C ATOM 272 O GLU A 37 8.580 8.412 -11.504 1.00 0.00 O ATOM 273 CB GLU A 37 7.078 9.186 -14.138 1.00 0.00 C ATOM 274 CG GLU A 37 7.361 10.681 -14.393 1.00 0.00 C ATOM 275 CD GLU A 37 7.761 10.984 -15.844 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.863 11.169 -16.692 1.00 0.00 O ATOM 277 OE2 GLU A 37 8.973 11.048 -16.138 1.00 0.00 O ATOM 0 H GLU A 37 5.120 10.332 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 37 6.309 7.814 -12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.996 8.621 -14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.353 8.835 -14.872 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.473 11.260 -14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.158 11.012 -13.727 1.00 0.00 H new ATOM 284 N GLN A 38 7.425 10.278 -10.914 1.00 0.00 N ATOM 285 CA GLN A 38 8.262 10.656 -9.766 1.00 0.00 C ATOM 286 C GLN A 38 8.047 9.678 -8.590 1.00 0.00 C ATOM 287 O GLN A 38 8.924 9.511 -7.740 1.00 0.00 O ATOM 288 CB GLN A 38 7.933 12.109 -9.345 1.00 0.00 C ATOM 289 CG GLN A 38 8.057 13.158 -10.473 1.00 0.00 C ATOM 290 CD GLN A 38 9.456 13.229 -11.087 1.00 0.00 C ATOM 291 OE1 GLN A 38 9.756 12.562 -12.082 1.00 0.00 O ATOM 292 NE2 GLN A 38 10.331 14.019 -10.485 1.00 0.00 N ATOM 0 H GLN A 38 6.676 10.944 -11.104 1.00 0.00 H new ATOM 0 HA GLN A 38 9.312 10.601 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.916 12.137 -8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.597 12.394 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.336 12.925 -11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.792 14.139 -10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.052 14.557 -9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.284 14.089 -10.841 1.00 0.00 H new ATOM 301 N LEU A 39 6.856 9.047 -8.555 1.00 0.00 N ATOM 302 CA LEU A 39 6.555 7.949 -7.623 1.00 0.00 C ATOM 303 C LEU A 39 6.973 6.620 -8.290 1.00 0.00 C ATOM 304 O LEU A 39 6.445 6.287 -9.363 1.00 0.00 O ATOM 305 CB LEU A 39 5.043 7.911 -7.269 1.00 0.00 C ATOM 306 CG LEU A 39 4.653 6.964 -6.087 1.00 0.00 C ATOM 307 CD1 LEU A 39 5.270 7.452 -4.757 1.00 0.00 C ATOM 308 CD2 LEU A 39 3.122 6.813 -5.968 1.00 0.00 C ATOM 0 H LEU A 39 6.079 9.286 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 39 7.107 8.103 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.719 8.922 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.487 7.605 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 39 5.064 5.978 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.983 6.775 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.356 7.470 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.907 8.455 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.885 6.149 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.673 7.790 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.725 6.393 -6.892 1.00 0.00 H new ATOM 320 N PRO A 40 7.954 5.861 -7.699 1.00 0.00 N ATOM 321 CA PRO A 40 8.383 4.551 -8.233 1.00 0.00 C ATOM 322 C PRO A 40 7.247 3.514 -8.236 1.00 0.00 C ATOM 323 O PRO A 40 6.418 3.479 -7.313 1.00 0.00 O ATOM 324 CB PRO A 40 9.536 4.116 -7.283 1.00 0.00 C ATOM 325 CG PRO A 40 9.986 5.389 -6.637 1.00 0.00 C ATOM 326 CD PRO A 40 8.737 6.224 -6.494 1.00 0.00 C ATOM 0 HA PRO A 40 8.692 4.624 -9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.190 3.395 -6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.348 3.642 -7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.445 5.197 -5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.732 5.898 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.198 5.990 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.965 7.290 -6.466 1.00 0.00 H new ATOM 334 N LYS A 41 7.234 2.673 -9.282 1.00 0.00 N ATOM 335 CA LYS A 41 6.294 1.548 -9.406 1.00 0.00 C ATOM 336 C LYS A 41 6.473 0.559 -8.241 1.00 0.00 C ATOM 337 O LYS A 41 5.490 0.038 -7.716 1.00 0.00 O ATOM 338 CB LYS A 41 6.506 0.826 -10.761 1.00 0.00 C ATOM 339 CG LYS A 41 6.129 1.681 -11.992 1.00 0.00 C ATOM 340 CD LYS A 41 6.315 0.930 -13.325 1.00 0.00 C ATOM 341 CE LYS A 41 7.778 0.540 -13.582 1.00 0.00 C ATOM 342 NZ LYS A 41 7.930 -0.243 -14.822 1.00 0.00 N ATOM 0 H LYS A 41 7.878 2.755 -10.069 1.00 0.00 H new ATOM 0 HA LYS A 41 5.278 1.940 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.552 0.529 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.913 -0.089 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.090 1.999 -11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.740 2.584 -12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.698 0.031 -13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.960 1.556 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.388 1.441 -13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.152 -0.040 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.871 -0.685 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.200 -0.983 -14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.826 0.385 -15.644 1.00 0.00 H new ATOM 356 N LYS A 42 7.735 0.369 -7.812 1.00 0.00 N ATOM 357 CA LYS A 42 8.084 -0.523 -6.693 1.00 0.00 C ATOM 358 C LYS A 42 7.506 0.000 -5.364 1.00 0.00 C ATOM 359 O LYS A 42 7.103 -0.786 -4.522 1.00 0.00 O ATOM 360 CB LYS A 42 9.623 -0.695 -6.597 1.00 0.00 C ATOM 361 CG LYS A 42 10.405 0.617 -6.381 1.00 0.00 C ATOM 362 CD LYS A 42 11.929 0.397 -6.330 1.00 0.00 C ATOM 363 CE LYS A 42 12.706 1.715 -6.161 1.00 0.00 C ATOM 364 NZ LYS A 42 14.168 1.497 -6.116 1.00 0.00 N ATOM 0 H LYS A 42 8.541 0.831 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 42 7.639 -1.499 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.849 -1.376 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.980 -1.169 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.169 1.313 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.077 1.082 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.169 -0.272 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.253 -0.098 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.465 2.386 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.385 2.209 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.652 2.410 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.402 0.878 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.480 1.049 -7.001 1.00 0.00 H new ATOM 378 N ASP A 43 7.438 1.332 -5.204 1.00 0.00 N ATOM 379 CA ASP A 43 6.928 1.950 -3.964 1.00 0.00 C ATOM 380 C ASP A 43 5.408 1.708 -3.818 1.00 0.00 C ATOM 381 O ASP A 43 4.886 1.555 -2.708 1.00 0.00 O ATOM 382 CB ASP A 43 7.278 3.458 -3.936 1.00 0.00 C ATOM 383 CG ASP A 43 7.040 4.139 -2.573 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.257 3.498 -1.519 1.00 0.00 O ATOM 385 OD2 ASP A 43 6.673 5.329 -2.544 1.00 0.00 O ATOM 0 H ASP A 43 7.729 2.003 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 43 7.413 1.481 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.325 3.581 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.685 3.971 -4.694 1.00 0.00 H new ATOM 390 N ILE A 44 4.717 1.633 -4.969 1.00 0.00 N ATOM 391 CA ILE A 44 3.277 1.325 -5.027 1.00 0.00 C ATOM 392 C ILE A 44 3.036 -0.166 -4.729 1.00 0.00 C ATOM 393 O ILE A 44 2.170 -0.503 -3.933 1.00 0.00 O ATOM 394 CB ILE A 44 2.674 1.695 -6.429 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.972 3.189 -6.757 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.150 1.407 -6.497 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.457 3.660 -8.100 1.00 0.00 C ATOM 0 H ILE A 44 5.141 1.784 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 44 2.776 1.927 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 44 3.151 1.064 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.534 3.812 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.050 3.346 -6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.772 1.677 -7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.972 0.347 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.634 1.995 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.712 4.711 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.914 3.068 -8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.374 3.541 -8.136 1.00 0.00 H new ATOM 409 N ILE A 45 3.822 -1.043 -5.379 1.00 0.00 N ATOM 410 CA ILE A 45 3.764 -2.509 -5.165 1.00 0.00 C ATOM 411 C ILE A 45 4.075 -2.853 -3.693 1.00 0.00 C ATOM 412 O ILE A 45 3.483 -3.761 -3.135 1.00 0.00 O ATOM 413 CB ILE A 45 4.785 -3.251 -6.105 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.462 -2.946 -7.598 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.820 -4.788 -5.846 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.558 -3.320 -8.569 1.00 0.00 C ATOM 0 H ILE A 45 4.518 -0.760 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 45 2.755 -2.843 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 45 5.780 -2.871 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.552 -3.478 -7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.252 -1.881 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.539 -5.254 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.114 -4.976 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.831 -5.210 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.246 -3.072 -9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.465 -2.768 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.755 -4.390 -8.501 1.00 0.00 H new ATOM 428 N LYS A 46 4.984 -2.078 -3.086 1.00 0.00 N ATOM 429 CA LYS A 46 5.368 -2.202 -1.666 1.00 0.00 C ATOM 430 C LYS A 46 4.143 -1.978 -0.746 1.00 0.00 C ATOM 431 O LYS A 46 3.921 -2.712 0.222 1.00 0.00 O ATOM 432 CB LYS A 46 6.485 -1.166 -1.375 1.00 0.00 C ATOM 433 CG LYS A 46 7.068 -1.191 0.050 1.00 0.00 C ATOM 434 CD LYS A 46 8.192 -0.143 0.238 1.00 0.00 C ATOM 435 CE LYS A 46 8.826 -0.192 1.639 1.00 0.00 C ATOM 436 NZ LYS A 46 9.898 0.820 1.811 1.00 0.00 N ATOM 0 H LYS A 46 5.484 -1.334 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 46 5.739 -3.207 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.298 -1.328 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.089 -0.169 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.272 -1.001 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.461 -2.185 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.966 -0.309 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.786 0.853 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.053 -0.030 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.237 -1.186 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.294 0.747 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.650 0.651 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.503 1.772 1.671 1.00 0.00 H new ATOM 450 N PHE A 47 3.358 -0.959 -1.119 1.00 0.00 N ATOM 451 CA PHE A 47 2.093 -0.589 -0.459 1.00 0.00 C ATOM 452 C PHE A 47 1.016 -1.681 -0.660 1.00 0.00 C ATOM 453 O PHE A 47 0.356 -2.117 0.300 1.00 0.00 O ATOM 454 CB PHE A 47 1.636 0.784 -1.043 1.00 0.00 C ATOM 455 CG PHE A 47 0.209 1.236 -0.717 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.211 1.372 0.600 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.704 1.537 -1.733 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.493 1.792 0.899 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.985 1.959 -1.436 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.380 2.086 -0.120 1.00 0.00 C ATOM 0 H PHE A 47 3.588 -0.353 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 47 2.241 -0.502 0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.324 1.550 -0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.739 0.743 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.475 1.146 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.403 1.438 -2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.802 1.891 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.677 2.189 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.382 2.415 0.114 1.00 0.00 H new ATOM 470 N LEU A 48 0.882 -2.127 -1.915 1.00 0.00 N ATOM 471 CA LEU A 48 -0.166 -3.067 -2.349 1.00 0.00 C ATOM 472 C LEU A 48 0.054 -4.490 -1.795 1.00 0.00 C ATOM 473 O LEU A 48 -0.913 -5.164 -1.432 1.00 0.00 O ATOM 474 CB LEU A 48 -0.242 -3.092 -3.903 1.00 0.00 C ATOM 475 CG LEU A 48 -0.670 -1.752 -4.588 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.706 -1.903 -6.130 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.023 -1.240 -4.046 1.00 0.00 C ATOM 0 H LEU A 48 1.506 -1.843 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.114 -2.713 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.735 -3.380 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.945 -3.870 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 48 0.082 -1.003 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.006 -0.957 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.284 -2.179 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.421 -2.679 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.286 -0.308 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.796 -1.984 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.943 -1.066 -2.973 1.00 0.00 H new ATOM 489 N GLN A 49 1.324 -4.925 -1.710 1.00 0.00 N ATOM 490 CA GLN A 49 1.665 -6.300 -1.288 1.00 0.00 C ATOM 491 C GLN A 49 1.620 -6.435 0.240 1.00 0.00 C ATOM 492 O GLN A 49 1.279 -7.506 0.760 1.00 0.00 O ATOM 493 CB GLN A 49 3.056 -6.761 -1.826 1.00 0.00 C ATOM 494 CG GLN A 49 4.279 -6.098 -1.158 1.00 0.00 C ATOM 495 CD GLN A 49 5.629 -6.743 -1.500 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.540 -6.750 -0.674 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.788 -7.258 -2.718 1.00 0.00 N ATOM 0 H GLN A 49 2.134 -4.345 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 49 0.910 -6.954 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.135 -7.841 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.096 -6.562 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.310 -5.048 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.143 -6.124 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.016 -7.239 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.682 -7.671 -2.984 1.00 0.00 H new ATOM 506 N GLU A 50 1.962 -5.335 0.947 1.00 0.00 N ATOM 507 CA GLU A 50 2.039 -5.311 2.423 1.00 0.00 C ATOM 508 C GLU A 50 0.680 -5.661 3.053 1.00 0.00 C ATOM 509 O GLU A 50 0.609 -6.350 4.073 1.00 0.00 O ATOM 510 CB GLU A 50 2.512 -3.913 2.910 1.00 0.00 C ATOM 511 CG GLU A 50 2.599 -3.759 4.446 1.00 0.00 C ATOM 512 CD GLU A 50 3.057 -2.364 4.895 1.00 0.00 C ATOM 513 OE1 GLU A 50 2.232 -1.426 4.904 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.243 -2.201 5.246 1.00 0.00 O ATOM 0 H GLU A 50 2.192 -4.442 0.511 1.00 0.00 H new ATOM 0 HA GLU A 50 2.762 -6.063 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.493 -3.707 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.829 -3.158 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.622 -3.970 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.290 -4.504 4.840 1.00 0.00 H new ATOM 521 N HIS A 51 -0.394 -5.191 2.409 1.00 0.00 N ATOM 522 CA HIS A 51 -1.771 -5.363 2.912 1.00 0.00 C ATOM 523 C HIS A 51 -2.536 -6.416 2.093 1.00 0.00 C ATOM 524 O HIS A 51 -3.326 -7.183 2.654 1.00 0.00 O ATOM 525 CB HIS A 51 -2.507 -4.013 2.868 1.00 0.00 C ATOM 526 CG HIS A 51 -1.843 -2.931 3.681 1.00 0.00 C ATOM 527 ND1 HIS A 51 -2.175 -2.664 4.989 1.00 0.00 N ATOM 528 CD2 HIS A 51 -0.863 -2.053 3.363 1.00 0.00 C ATOM 529 CE1 HIS A 51 -1.437 -1.672 5.433 1.00 0.00 C ATOM 530 NE2 HIS A 51 -0.632 -1.287 4.471 1.00 0.00 N ATOM 0 H HIS A 51 -0.339 -4.682 1.527 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.722 -5.716 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.580 -3.683 1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.526 -4.153 3.230 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.358 -1.973 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.485 -1.245 6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.056 -0.537 4.539 1.00 0.00 H new ATOM 539 N GLY A 52 -2.282 -6.434 0.771 1.00 0.00 N ATOM 540 CA GLY A 52 -2.945 -7.345 -0.165 1.00 0.00 C ATOM 541 C GLY A 52 -2.713 -8.823 0.143 1.00 0.00 C ATOM 542 O GLY A 52 -1.565 -9.254 0.289 1.00 0.00 O ATOM 0 H GLY A 52 -1.607 -5.812 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.016 -7.145 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.592 -7.134 -1.174 1.00 0.00 H new ATOM 546 N SER A 53 -3.818 -9.583 0.244 1.00 0.00 N ATOM 547 CA SER A 53 -3.808 -11.028 0.537 1.00 0.00 C ATOM 548 C SER A 53 -3.207 -11.828 -0.644 1.00 0.00 C ATOM 549 O SER A 53 -3.036 -11.293 -1.743 1.00 0.00 O ATOM 550 CB SER A 53 -5.253 -11.494 0.863 1.00 0.00 C ATOM 551 OG SER A 53 -5.284 -12.847 1.282 1.00 0.00 O ATOM 0 H SER A 53 -4.758 -9.205 0.123 1.00 0.00 H new ATOM 0 HA SER A 53 -3.175 -11.216 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.672 -10.861 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.883 -11.371 -0.018 1.00 0.00 H new ATOM 0 HG SER A 53 -6.208 -13.107 1.481 1.00 0.00 H new ATOM 557 N ASP A 54 -2.917 -13.124 -0.394 1.00 0.00 N ATOM 558 CA ASP A 54 -2.198 -14.016 -1.341 1.00 0.00 C ATOM 559 C ASP A 54 -2.897 -14.123 -2.706 1.00 0.00 C ATOM 560 O ASP A 54 -2.244 -14.387 -3.715 1.00 0.00 O ATOM 561 CB ASP A 54 -2.017 -15.423 -0.726 1.00 0.00 C ATOM 562 CG ASP A 54 -1.166 -15.393 0.555 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.077 -15.362 0.452 1.00 0.00 O ATOM 564 OD2 ASP A 54 -1.740 -15.384 1.663 1.00 0.00 O ATOM 0 H ASP A 54 -3.176 -13.588 0.477 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.221 -13.565 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.995 -15.847 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.546 -16.079 -1.458 1.00 0.00 H new ATOM 569 N SER A 55 -4.223 -13.941 -2.710 1.00 0.00 N ATOM 570 CA SER A 55 -5.037 -13.890 -3.935 1.00 0.00 C ATOM 571 C SER A 55 -4.655 -12.666 -4.802 1.00 0.00 C ATOM 572 O SER A 55 -4.347 -12.805 -5.990 1.00 0.00 O ATOM 573 CB SER A 55 -6.530 -13.851 -3.548 1.00 0.00 C ATOM 574 OG SER A 55 -6.779 -12.847 -2.576 1.00 0.00 O ATOM 0 H SER A 55 -4.768 -13.824 -1.856 1.00 0.00 H new ATOM 0 HA SER A 55 -4.846 -14.782 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.134 -13.661 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.833 -14.823 -3.158 1.00 0.00 H new ATOM 0 HG SER A 55 -7.732 -12.841 -2.349 1.00 0.00 H new ATOM 580 N PHE A 56 -4.624 -11.483 -4.160 1.00 0.00 N ATOM 581 CA PHE A 56 -4.249 -10.202 -4.803 1.00 0.00 C ATOM 582 C PHE A 56 -2.802 -10.256 -5.335 1.00 0.00 C ATOM 583 O PHE A 56 -2.485 -9.722 -6.414 1.00 0.00 O ATOM 584 CB PHE A 56 -4.406 -9.058 -3.768 1.00 0.00 C ATOM 585 CG PHE A 56 -4.090 -7.654 -4.291 1.00 0.00 C ATOM 586 CD1 PHE A 56 -4.856 -7.086 -5.305 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.047 -6.901 -3.757 1.00 0.00 C ATOM 588 CE1 PHE A 56 -4.591 -5.813 -5.767 1.00 0.00 C ATOM 589 CE2 PHE A 56 -2.783 -5.631 -4.220 1.00 0.00 C ATOM 590 CZ PHE A 56 -3.554 -5.086 -5.225 1.00 0.00 C ATOM 0 H PHE A 56 -4.860 -11.385 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.905 -10.020 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.430 -9.067 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.755 -9.267 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.670 -7.650 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.437 -7.319 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.196 -5.387 -6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.970 -5.061 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.345 -4.090 -5.587 1.00 0.00 H new ATOM 600 N LEU A 57 -1.950 -10.936 -4.553 1.00 0.00 N ATOM 601 CA LEU A 57 -0.545 -11.172 -4.894 1.00 0.00 C ATOM 602 C LEU A 57 -0.423 -12.092 -6.123 1.00 0.00 C ATOM 603 O LEU A 57 0.397 -11.861 -6.994 1.00 0.00 O ATOM 604 CB LEU A 57 0.191 -11.795 -3.685 1.00 0.00 C ATOM 605 CG LEU A 57 0.182 -10.954 -2.372 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.934 -11.674 -1.232 1.00 0.00 C ATOM 607 CD2 LEU A 57 0.745 -9.537 -2.609 1.00 0.00 C ATOM 0 H LEU A 57 -2.223 -11.340 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.085 -10.215 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.256 -12.766 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.227 -11.976 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.857 -10.848 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.907 -11.059 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.457 -12.633 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.970 -11.840 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.725 -8.976 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.772 -9.609 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.136 -9.023 -3.353 1.00 0.00 H new ATOM 619 N ALA A 58 -1.259 -13.139 -6.170 1.00 0.00 N ATOM 620 CA ALA A 58 -1.279 -14.130 -7.268 1.00 0.00 C ATOM 621 C ALA A 58 -1.848 -13.547 -8.580 1.00 0.00 C ATOM 622 O ALA A 58 -1.494 -14.018 -9.669 1.00 0.00 O ATOM 623 CB ALA A 58 -2.093 -15.360 -6.846 1.00 0.00 C ATOM 0 H ALA A 58 -1.949 -13.328 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.246 -14.417 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.104 -16.086 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.640 -15.811 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.115 -15.058 -6.615 1.00 0.00 H new ATOM 629 N GLU A 59 -2.722 -12.528 -8.458 1.00 0.00 N ATOM 630 CA GLU A 59 -3.400 -11.892 -9.601 1.00 0.00 C ATOM 631 C GLU A 59 -2.407 -11.233 -10.587 1.00 0.00 C ATOM 632 O GLU A 59 -2.494 -11.466 -11.802 1.00 0.00 O ATOM 633 CB GLU A 59 -4.482 -10.880 -9.071 1.00 0.00 C ATOM 634 CG GLU A 59 -5.951 -11.332 -9.253 1.00 0.00 C ATOM 635 CD GLU A 59 -6.250 -12.770 -8.772 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.040 -13.734 -9.544 1.00 0.00 O ATOM 637 OE2 GLU A 59 -6.720 -12.945 -7.631 1.00 0.00 O ATOM 0 H GLU A 59 -2.978 -12.122 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.904 -12.667 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.302 -10.702 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.346 -9.927 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.599 -10.641 -8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.212 -11.255 -10.308 1.00 0.00 H new ATOM 644 N HIS A 60 -1.478 -10.403 -10.076 1.00 0.00 N ATOM 645 CA HIS A 60 -0.475 -9.709 -10.927 1.00 0.00 C ATOM 646 C HIS A 60 0.983 -10.094 -10.563 1.00 0.00 C ATOM 647 O HIS A 60 1.935 -9.453 -11.035 1.00 0.00 O ATOM 648 CB HIS A 60 -0.701 -8.172 -10.858 1.00 0.00 C ATOM 649 CG HIS A 60 0.070 -7.408 -11.900 1.00 0.00 C ATOM 650 ND1 HIS A 60 1.059 -6.497 -11.601 1.00 0.00 N ATOM 651 CD2 HIS A 60 0.016 -7.464 -13.253 1.00 0.00 C ATOM 652 CE1 HIS A 60 1.573 -6.031 -12.716 1.00 0.00 C ATOM 653 NE2 HIS A 60 0.960 -6.601 -13.729 1.00 0.00 N ATOM 0 H HIS A 60 -1.396 -10.193 -9.081 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.620 -10.040 -11.955 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.764 -7.963 -10.977 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.414 -7.814 -9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.649 -8.077 -13.844 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.366 -5.302 -12.788 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.158 -6.426 -14.714 1.00 0.00 H new ATOM 662 N LYS A 61 1.155 -11.175 -9.780 1.00 0.00 N ATOM 663 CA LYS A 61 2.465 -11.585 -9.220 1.00 0.00 C ATOM 664 C LYS A 61 3.107 -10.434 -8.418 1.00 0.00 C ATOM 665 O LYS A 61 4.279 -10.109 -8.603 1.00 0.00 O ATOM 666 CB LYS A 61 3.429 -12.141 -10.313 1.00 0.00 C ATOM 667 CG LYS A 61 3.036 -13.522 -10.881 1.00 0.00 C ATOM 668 CD LYS A 61 4.091 -14.076 -11.873 1.00 0.00 C ATOM 669 CE LYS A 61 5.496 -14.188 -11.239 1.00 0.00 C ATOM 670 NZ LYS A 61 6.527 -14.668 -12.196 1.00 0.00 N ATOM 0 H LYS A 61 0.389 -11.794 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 61 2.279 -12.408 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.476 -11.426 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.432 -12.209 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.909 -14.227 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.073 -13.443 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.775 -15.058 -12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.141 -13.426 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.793 -13.213 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.452 -14.869 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.448 -14.723 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.263 -15.611 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.593 -14.007 -12.996 1.00 0.00 H new ATOM 684 N LEU A 62 2.306 -9.839 -7.510 1.00 0.00 N ATOM 685 CA LEU A 62 2.757 -8.771 -6.590 1.00 0.00 C ATOM 686 C LEU A 62 3.523 -9.370 -5.389 1.00 0.00 C ATOM 687 O LEU A 62 4.084 -8.631 -4.576 1.00 0.00 O ATOM 688 CB LEU A 62 1.543 -7.921 -6.122 1.00 0.00 C ATOM 689 CG LEU A 62 0.744 -7.211 -7.268 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.502 -6.490 -6.726 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.641 -6.232 -8.068 1.00 0.00 C ATOM 0 H LEU A 62 1.323 -10.086 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 62 3.445 -8.115 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.859 -8.566 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.898 -7.162 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 62 0.409 -7.991 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.031 -6.009 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.160 -7.213 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.199 -5.736 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.052 -5.759 -8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.033 -5.467 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.469 -6.781 -8.516 1.00 0.00 H new ATOM 703 N LEU A 63 3.524 -10.717 -5.299 1.00 0.00 N ATOM 704 CA LEU A 63 4.315 -11.476 -4.312 1.00 0.00 C ATOM 705 C LEU A 63 5.804 -11.523 -4.717 1.00 0.00 C ATOM 706 O LEU A 63 6.153 -11.319 -5.887 1.00 0.00 O ATOM 707 CB LEU A 63 3.704 -12.914 -4.109 1.00 0.00 C ATOM 708 CG LEU A 63 3.176 -13.675 -5.387 1.00 0.00 C ATOM 709 CD1 LEU A 63 4.311 -14.149 -6.318 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.241 -14.846 -4.986 1.00 0.00 C ATOM 0 H LEU A 63 2.970 -11.312 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 63 4.267 -10.963 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.464 -13.537 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.877 -12.830 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 63 2.596 -12.955 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.884 -14.665 -7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.885 -13.288 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.967 -14.830 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.890 -15.355 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.788 -15.551 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.387 -14.456 -4.432 1.00 0.00 H new ATOM 722 N GLY A 64 6.665 -11.803 -3.725 1.00 0.00 N ATOM 723 CA GLY A 64 8.115 -11.904 -3.936 1.00 0.00 C ATOM 724 C GLY A 64 8.830 -10.561 -3.845 1.00 0.00 C ATOM 725 O GLY A 64 8.295 -9.607 -3.262 1.00 0.00 O ATOM 0 H GLY A 64 6.376 -11.965 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.537 -12.584 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.303 -12.343 -4.916 1.00 0.00 H new ATOM 729 N ASN A 65 10.053 -10.496 -4.414 1.00 0.00 N ATOM 730 CA ASN A 65 10.875 -9.273 -4.423 1.00 0.00 C ATOM 731 C ASN A 65 10.176 -8.165 -5.220 1.00 0.00 C ATOM 732 O ASN A 65 9.849 -8.350 -6.395 1.00 0.00 O ATOM 733 CB ASN A 65 12.284 -9.544 -5.011 1.00 0.00 C ATOM 734 CG ASN A 65 13.146 -10.491 -4.164 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.924 -11.278 -4.703 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.052 -10.401 -2.836 1.00 0.00 N ATOM 0 H ASN A 65 10.495 -11.290 -4.878 1.00 0.00 H new ATOM 0 HA ASN A 65 10.996 -8.947 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.174 -9.966 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.808 -8.595 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.633 -10.993 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.399 -9.740 -2.415 1.00 0.00 H new ATOM 743 N ILE A 66 9.967 -7.025 -4.554 1.00 0.00 N ATOM 744 CA ILE A 66 9.223 -5.871 -5.085 1.00 0.00 C ATOM 745 C ILE A 66 9.822 -5.368 -6.414 1.00 0.00 C ATOM 746 O ILE A 66 9.084 -5.096 -7.365 1.00 0.00 O ATOM 747 CB ILE A 66 9.230 -4.702 -4.035 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.736 -5.198 -2.648 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.370 -3.523 -4.518 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.819 -4.170 -1.531 1.00 0.00 C ATOM 0 H ILE A 66 10.317 -6.872 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 66 8.200 -6.197 -5.275 1.00 0.00 H new ATOM 0 HB ILE A 66 10.259 -4.357 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.701 -5.526 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.322 -6.072 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.392 -2.728 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.765 -3.147 -5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.343 -3.857 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.452 -4.610 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.855 -3.858 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.209 -3.304 -1.788 1.00 0.00 H new ATOM 762 N LYS A 67 11.159 -5.230 -6.445 1.00 0.00 N ATOM 763 CA LYS A 67 11.915 -4.791 -7.639 1.00 0.00 C ATOM 764 C LYS A 67 11.680 -5.744 -8.846 1.00 0.00 C ATOM 765 O LYS A 67 11.580 -5.296 -9.998 1.00 0.00 O ATOM 766 CB LYS A 67 13.433 -4.699 -7.306 1.00 0.00 C ATOM 767 CG LYS A 67 14.057 -6.036 -6.843 1.00 0.00 C ATOM 768 CD LYS A 67 15.582 -5.980 -6.610 1.00 0.00 C ATOM 769 CE LYS A 67 16.145 -7.357 -6.197 1.00 0.00 C ATOM 770 NZ LYS A 67 17.618 -7.338 -6.026 1.00 0.00 N ATOM 0 H LYS A 67 11.753 -5.421 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 67 11.551 -3.804 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.967 -4.347 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.579 -3.952 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.572 -6.349 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.843 -6.801 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.077 -5.642 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.805 -5.247 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.678 -7.672 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.879 -8.096 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.948 -8.285 -5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.068 -7.063 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.873 -6.653 -5.286 1.00 0.00 H new ATOM 784 N ASN A 68 11.578 -7.058 -8.554 1.00 0.00 N ATOM 785 CA ASN A 68 11.348 -8.119 -9.561 1.00 0.00 C ATOM 786 C ASN A 68 9.918 -8.035 -10.119 1.00 0.00 C ATOM 787 O ASN A 68 9.663 -8.398 -11.271 1.00 0.00 O ATOM 788 CB ASN A 68 11.598 -9.528 -8.946 1.00 0.00 C ATOM 789 CG ASN A 68 13.066 -9.798 -8.566 1.00 0.00 C ATOM 790 OD1 ASN A 68 13.852 -8.883 -8.335 1.00 0.00 O ATOM 791 ND2 ASN A 68 13.438 -11.064 -8.470 1.00 0.00 N ATOM 0 H ASN A 68 11.654 -7.417 -7.602 1.00 0.00 H new ATOM 0 HA ASN A 68 12.053 -7.966 -10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.978 -9.640 -8.057 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.273 -10.286 -9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.394 -11.296 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.769 -11.808 -8.666 1.00 0.00 H new ATOM 798 N VAL A 69 8.983 -7.577 -9.273 1.00 0.00 N ATOM 799 CA VAL A 69 7.607 -7.283 -9.707 1.00 0.00 C ATOM 800 C VAL A 69 7.578 -5.970 -10.529 1.00 0.00 C ATOM 801 O VAL A 69 6.868 -5.867 -11.523 1.00 0.00 O ATOM 802 CB VAL A 69 6.617 -7.154 -8.492 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.155 -6.998 -8.987 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.753 -8.345 -7.511 1.00 0.00 C ATOM 0 H VAL A 69 9.154 -7.402 -8.283 1.00 0.00 H new ATOM 0 HA VAL A 69 7.279 -8.120 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 69 6.887 -6.253 -7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.488 -6.911 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.073 -6.103 -9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.875 -7.871 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.052 -8.218 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.532 -9.275 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.770 -8.381 -7.121 1.00 0.00 H new ATOM 814 N ALA A 70 8.407 -4.998 -10.111 1.00 0.00 N ATOM 815 CA ALA A 70 8.445 -3.632 -10.690 1.00 0.00 C ATOM 816 C ALA A 70 8.984 -3.611 -12.134 1.00 0.00 C ATOM 817 O ALA A 70 8.694 -2.675 -12.884 1.00 0.00 O ATOM 818 CB ALA A 70 9.267 -2.708 -9.776 1.00 0.00 C ATOM 0 H ALA A 70 9.078 -5.134 -9.355 1.00 0.00 H new ATOM 0 HA ALA A 70 7.420 -3.267 -10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.294 -1.705 -10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.807 -2.670 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.283 -3.093 -9.689 1.00 0.00 H new ATOM 824 N LYS A 71 9.743 -4.653 -12.525 1.00 0.00 N ATOM 825 CA LYS A 71 10.318 -4.760 -13.887 1.00 0.00 C ATOM 826 C LYS A 71 9.293 -5.335 -14.889 1.00 0.00 C ATOM 827 O LYS A 71 9.468 -5.211 -16.105 1.00 0.00 O ATOM 828 CB LYS A 71 11.600 -5.632 -13.881 1.00 0.00 C ATOM 829 CG LYS A 71 11.357 -7.136 -13.605 1.00 0.00 C ATOM 830 CD LYS A 71 12.647 -7.981 -13.679 1.00 0.00 C ATOM 831 CE LYS A 71 13.341 -7.893 -15.051 1.00 0.00 C ATOM 832 NZ LYS A 71 14.590 -8.683 -15.094 1.00 0.00 N ATOM 0 H LYS A 71 9.975 -5.438 -11.916 1.00 0.00 H new ATOM 0 HA LYS A 71 10.581 -3.752 -14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.098 -5.529 -14.845 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.284 -5.244 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.911 -7.251 -12.617 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.636 -7.520 -14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.339 -7.648 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.406 -9.022 -13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.661 -8.249 -15.824 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.564 -6.850 -15.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.024 -8.595 -16.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.251 -8.327 -14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.375 -9.683 -14.903 1.00 0.00 H new ATOM 846 N THR A 72 8.237 -5.985 -14.360 1.00 0.00 N ATOM 847 CA THR A 72 7.155 -6.588 -15.167 1.00 0.00 C ATOM 848 C THR A 72 5.815 -5.855 -14.916 1.00 0.00 C ATOM 849 O THR A 72 4.809 -6.134 -15.586 1.00 0.00 O ATOM 850 CB THR A 72 7.024 -8.123 -14.852 1.00 0.00 C ATOM 851 OG1 THR A 72 6.023 -8.734 -15.681 1.00 0.00 O ATOM 852 CG2 THR A 72 6.699 -8.401 -13.374 1.00 0.00 C ATOM 0 H THR A 72 8.109 -6.107 -13.355 1.00 0.00 H new ATOM 0 HA THR A 72 7.407 -6.478 -16.222 1.00 0.00 H new ATOM 0 HB THR A 72 7.999 -8.560 -15.068 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.382 -8.054 -15.975 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.620 -9.476 -13.215 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.493 -7.998 -12.745 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.753 -7.926 -13.114 1.00 0.00 H new ATOM 860 N ALA A 73 5.816 -4.910 -13.958 1.00 0.00 N ATOM 861 CA ALA A 73 4.644 -4.086 -13.630 1.00 0.00 C ATOM 862 C ALA A 73 4.705 -2.751 -14.377 1.00 0.00 C ATOM 863 O ALA A 73 5.750 -2.096 -14.398 1.00 0.00 O ATOM 864 CB ALA A 73 4.557 -3.845 -12.110 1.00 0.00 C ATOM 0 H ALA A 73 6.635 -4.698 -13.388 1.00 0.00 H new ATOM 0 HA ALA A 73 3.749 -4.622 -13.945 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.683 -3.233 -11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.471 -4.801 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.456 -3.330 -11.771 1.00 0.00 H new ATOM 870 N ASN A 74 3.586 -2.396 -15.009 1.00 0.00 N ATOM 871 CA ASN A 74 3.361 -1.075 -15.610 1.00 0.00 C ATOM 872 C ASN A 74 2.568 -0.224 -14.611 1.00 0.00 C ATOM 873 O ASN A 74 1.696 -0.751 -13.901 1.00 0.00 O ATOM 874 CB ASN A 74 2.575 -1.222 -16.942 1.00 0.00 C ATOM 875 CG ASN A 74 2.198 0.107 -17.608 1.00 0.00 C ATOM 876 OD1 ASN A 74 2.913 1.102 -17.518 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.064 0.119 -18.280 1.00 0.00 N ATOM 0 H ASN A 74 2.794 -3.028 -15.121 1.00 0.00 H new ATOM 0 HA ASN A 74 4.314 -0.594 -15.833 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.174 -1.807 -17.640 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.664 -1.789 -16.751 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.756 0.973 -18.746 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.494 -0.725 -18.334 1.00 0.00 H new ATOM 884 N LYS A 75 2.865 1.088 -14.589 1.00 0.00 N ATOM 885 CA LYS A 75 2.233 2.062 -13.681 1.00 0.00 C ATOM 886 C LYS A 75 0.697 2.057 -13.817 1.00 0.00 C ATOM 887 O LYS A 75 -0.020 2.068 -12.808 1.00 0.00 O ATOM 888 CB LYS A 75 2.780 3.487 -13.958 1.00 0.00 C ATOM 889 CG LYS A 75 2.237 4.569 -13.005 1.00 0.00 C ATOM 890 CD LYS A 75 2.646 4.317 -11.532 1.00 0.00 C ATOM 891 CE LYS A 75 4.139 4.596 -11.253 1.00 0.00 C ATOM 892 NZ LYS A 75 4.487 6.028 -11.426 1.00 0.00 N ATOM 0 H LYS A 75 3.559 1.506 -15.209 1.00 0.00 H new ATOM 0 HA LYS A 75 2.481 1.768 -12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.867 3.467 -13.885 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.535 3.765 -14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.606 5.545 -13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.150 4.601 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.039 4.946 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.423 3.282 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.380 4.286 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.750 3.992 -11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.324 6.254 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.694 6.216 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.688 6.619 -11.120 1.00 0.00 H new ATOM 906 N ASP A 76 0.224 2.023 -15.075 1.00 0.00 N ATOM 907 CA ASP A 76 -1.215 2.059 -15.413 1.00 0.00 C ATOM 908 C ASP A 76 -1.984 0.893 -14.754 1.00 0.00 C ATOM 909 O ASP A 76 -3.060 1.099 -14.172 1.00 0.00 O ATOM 910 CB ASP A 76 -1.397 2.048 -16.957 1.00 0.00 C ATOM 911 CG ASP A 76 -2.866 1.906 -17.424 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.654 2.855 -17.233 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.232 0.843 -17.981 1.00 0.00 O ATOM 0 H ASP A 76 0.831 1.969 -15.893 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.636 2.983 -15.016 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.985 2.971 -17.366 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.814 1.227 -17.374 1.00 0.00 H new ATOM 918 N HIS A 77 -1.401 -0.319 -14.811 1.00 0.00 N ATOM 919 CA HIS A 77 -2.012 -1.523 -14.222 1.00 0.00 C ATOM 920 C HIS A 77 -1.873 -1.521 -12.687 1.00 0.00 C ATOM 921 O HIS A 77 -2.661 -2.170 -12.008 1.00 0.00 O ATOM 922 CB HIS A 77 -1.425 -2.822 -14.826 1.00 0.00 C ATOM 923 CG HIS A 77 -2.245 -4.051 -14.492 1.00 0.00 C ATOM 924 ND1 HIS A 77 -3.277 -4.504 -15.286 1.00 0.00 N ATOM 925 CD2 HIS A 77 -2.196 -4.897 -13.434 1.00 0.00 C ATOM 926 CE1 HIS A 77 -3.831 -5.563 -14.723 1.00 0.00 C ATOM 927 NE2 HIS A 77 -3.189 -5.822 -13.604 1.00 0.00 N ATOM 0 H HIS A 77 -0.502 -0.490 -15.262 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.073 -1.498 -14.469 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.362 -2.717 -15.909 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -0.408 -2.960 -14.459 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.501 -4.849 -12.609 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.668 -6.121 -15.115 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.398 -6.590 -12.966 1.00 0.00 H new ATOM 936 N LEU A 78 -0.849 -0.844 -12.143 1.00 0.00 N ATOM 937 CA LEU A 78 -0.680 -0.711 -10.673 1.00 0.00 C ATOM 938 C LEU A 78 -1.774 0.159 -10.048 1.00 0.00 C ATOM 939 O LEU A 78 -2.147 -0.038 -8.895 1.00 0.00 O ATOM 940 CB LEU A 78 0.709 -0.147 -10.314 1.00 0.00 C ATOM 941 CG LEU A 78 1.902 -1.091 -10.615 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.219 -0.437 -10.182 1.00 0.00 C ATOM 943 CD2 LEU A 78 1.703 -2.476 -9.947 1.00 0.00 C ATOM 0 H LEU A 78 -0.124 -0.379 -12.690 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.767 -1.715 -10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.857 0.785 -10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.720 0.100 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 78 1.948 -1.260 -11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.048 -1.110 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.358 0.497 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.189 -0.232 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.555 -3.116 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.623 -2.351 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.791 -2.936 -10.328 1.00 0.00 H new ATOM 955 N VAL A 79 -2.257 1.130 -10.831 1.00 0.00 N ATOM 956 CA VAL A 79 -3.430 1.940 -10.481 1.00 0.00 C ATOM 957 C VAL A 79 -4.702 1.067 -10.545 1.00 0.00 C ATOM 958 O VAL A 79 -5.588 1.177 -9.693 1.00 0.00 O ATOM 959 CB VAL A 79 -3.568 3.177 -11.438 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.822 4.017 -11.098 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.287 4.046 -11.400 1.00 0.00 C ATOM 0 H VAL A 79 -1.843 1.378 -11.730 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.302 2.316 -9.466 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.692 2.801 -12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.887 4.865 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.713 3.398 -11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.750 4.380 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.405 4.897 -12.070 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.120 4.404 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.433 3.449 -11.719 1.00 0.00 H new ATOM 971 N THR A 80 -4.758 0.193 -11.563 1.00 0.00 N ATOM 972 CA THR A 80 -5.855 -0.772 -11.747 1.00 0.00 C ATOM 973 C THR A 80 -5.916 -1.780 -10.575 1.00 0.00 C ATOM 974 O THR A 80 -7.000 -2.088 -10.082 1.00 0.00 O ATOM 975 CB THR A 80 -5.698 -1.523 -13.109 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.584 -0.562 -14.169 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.872 -2.476 -13.405 1.00 0.00 C ATOM 0 H THR A 80 -4.040 0.135 -12.285 1.00 0.00 H new ATOM 0 HA THR A 80 -6.793 -0.217 -11.760 1.00 0.00 H new ATOM 0 HB THR A 80 -4.798 -2.134 -13.041 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.710 -0.121 -14.119 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.708 -2.969 -14.363 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.939 -3.227 -12.617 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.801 -1.907 -13.444 1.00 0.00 H new ATOM 985 N ALA A 81 -4.743 -2.237 -10.105 1.00 0.00 N ATOM 986 CA ALA A 81 -4.620 -3.184 -8.980 1.00 0.00 C ATOM 987 C ALA A 81 -4.978 -2.473 -7.667 1.00 0.00 C ATOM 988 O ALA A 81 -5.674 -3.034 -6.817 1.00 0.00 O ATOM 989 CB ALA A 81 -3.194 -3.768 -8.925 1.00 0.00 C ATOM 0 H ALA A 81 -3.844 -1.958 -10.498 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.314 -4.012 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.118 -4.465 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.979 -4.292 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.475 -2.960 -8.790 1.00 0.00 H new ATOM 995 N TYR A 82 -4.508 -1.214 -7.554 1.00 0.00 N ATOM 996 CA TYR A 82 -4.799 -0.309 -6.428 1.00 0.00 C ATOM 997 C TYR A 82 -6.318 -0.165 -6.222 1.00 0.00 C ATOM 998 O TYR A 82 -6.819 -0.429 -5.143 1.00 0.00 O ATOM 999 CB TYR A 82 -4.111 1.066 -6.691 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.653 2.278 -5.907 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -4.157 2.623 -4.649 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.656 3.092 -6.460 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -4.651 3.726 -3.973 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -6.140 4.187 -5.792 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.643 4.499 -4.556 1.00 0.00 C ATOM 1006 OH TYR A 82 -6.140 5.593 -3.896 1.00 0.00 O ATOM 0 H TYR A 82 -3.903 -0.791 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.397 -0.726 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.050 0.963 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.191 1.287 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.380 2.024 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.055 2.849 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.266 3.982 -2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.909 4.800 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.408 6.211 -3.689 1.00 0.00 H new ATOM 1016 N ASN A 83 -7.045 0.224 -7.286 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.500 0.469 -7.206 1.00 0.00 C ATOM 1018 C ASN A 83 -9.269 -0.845 -6.947 1.00 0.00 C ATOM 1019 O ASN A 83 -10.188 -0.872 -6.122 1.00 0.00 O ATOM 1020 CB ASN A 83 -9.027 1.189 -8.483 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.732 2.700 -8.489 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.476 3.483 -7.900 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.682 3.138 -9.172 1.00 0.00 N ATOM 0 H ASN A 83 -6.649 0.376 -8.214 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.678 1.133 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.574 0.733 -9.363 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.103 1.035 -8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.482 4.137 -9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.075 2.475 -9.655 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.848 -1.937 -7.610 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.459 -3.279 -7.450 1.00 0.00 C ATOM 1032 C HIS A 84 -9.219 -3.850 -6.034 1.00 0.00 C ATOM 1033 O HIS A 84 -9.997 -4.695 -5.570 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.955 -4.262 -8.546 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.438 -3.946 -9.944 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -9.193 -4.764 -11.027 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.152 -2.898 -10.431 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -9.716 -4.224 -12.112 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.305 -3.097 -11.776 1.00 0.00 N ATOM 0 H HIS A 84 -8.074 -1.919 -8.274 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.535 -3.163 -7.576 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.865 -4.261 -8.543 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.274 -5.271 -8.285 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.529 -2.062 -9.861 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.668 -4.638 -13.108 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.797 -2.472 -12.415 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.146 -3.380 -5.368 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.802 -3.769 -3.980 1.00 0.00 C ATOM 1050 C LEU A 85 -8.953 -3.425 -3.019 1.00 0.00 C ATOM 1051 O LEU A 85 -9.450 -4.275 -2.285 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.514 -3.010 -3.540 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.921 -3.352 -2.142 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.643 -4.859 -1.993 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.648 -2.520 -1.854 1.00 0.00 C ATOM 0 H LEU A 85 -7.488 -2.716 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.632 -4.845 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.742 -3.195 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.729 -1.942 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.672 -3.084 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.230 -5.057 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.573 -5.414 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.929 -5.174 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.257 -2.781 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.895 -2.733 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.894 -1.458 -1.876 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.357 -2.155 -3.069 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.427 -1.599 -2.222 1.00 0.00 C ATOM 1069 C PHE A 86 -11.820 -2.058 -2.700 1.00 0.00 C ATOM 1070 O PHE A 86 -12.750 -2.194 -1.900 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.329 -0.059 -2.222 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.917 0.472 -1.949 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.331 0.391 -0.688 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.183 1.054 -2.965 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -7.052 0.883 -0.470 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.921 1.539 -2.738 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.355 1.458 -1.495 1.00 0.00 C ATOM 0 H PHE A 86 -8.949 -1.470 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.297 -1.970 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.668 0.317 -3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.009 0.339 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.877 -0.059 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.611 1.128 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.607 0.811 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.368 1.990 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.362 1.847 -1.325 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.919 -2.296 -4.021 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.174 -2.608 -4.734 1.00 0.00 C ATOM 1089 C GLU A 87 -13.873 -3.868 -4.190 1.00 0.00 C ATOM 1090 O GLU A 87 -15.082 -3.854 -3.927 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.835 -2.781 -6.233 1.00 0.00 C ATOM 1092 CG GLU A 87 -13.991 -3.177 -7.165 1.00 0.00 C ATOM 1093 CD GLU A 87 -13.504 -3.411 -8.605 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -12.903 -4.479 -8.867 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -13.701 -2.530 -9.473 1.00 0.00 O ATOM 0 H GLU A 87 -11.108 -2.276 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.876 -1.788 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.412 -1.844 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.055 -3.537 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.467 -4.083 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.748 -2.393 -7.159 1.00 0.00 H new ATOM 1102 N THR A 88 -13.103 -4.948 -4.013 1.00 0.00 N ATOM 1103 CA THR A 88 -13.616 -6.250 -3.540 1.00 0.00 C ATOM 1104 C THR A 88 -12.933 -6.676 -2.226 1.00 0.00 C ATOM 1105 O THR A 88 -13.138 -7.807 -1.757 1.00 0.00 O ATOM 1106 CB THR A 88 -13.384 -7.338 -4.640 1.00 0.00 C ATOM 1107 OG1 THR A 88 -12.016 -7.305 -5.055 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.290 -7.138 -5.866 1.00 0.00 C ATOM 0 H THR A 88 -12.099 -4.949 -4.194 1.00 0.00 H new ATOM 0 HA THR A 88 -14.684 -6.147 -3.346 1.00 0.00 H new ATOM 0 HB THR A 88 -13.634 -8.304 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.783 -8.155 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.089 -7.920 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.335 -7.189 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.090 -6.163 -6.311 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.142 -5.749 -1.635 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.356 -5.987 -0.407 1.00 0.00 C ATOM 1118 C LYS A 89 -10.438 -7.214 -0.566 1.00 0.00 C ATOM 1119 O LYS A 89 -10.585 -8.234 0.110 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.268 -6.076 0.849 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.089 -4.793 1.100 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.948 -4.866 2.379 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.759 -3.579 2.607 1.00 0.00 C ATOM 1124 NZ LYS A 89 -15.591 -3.654 3.833 1.00 0.00 N ATOM 0 H LYS A 89 -12.033 -4.805 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.706 -5.126 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.950 -6.919 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.651 -6.281 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.411 -3.943 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.738 -4.610 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.628 -5.715 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.302 -5.044 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.079 -2.731 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.400 -3.398 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.120 -2.766 3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.259 -4.447 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.978 -3.801 4.660 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.525 -7.091 -1.540 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.508 -8.107 -1.873 1.00 0.00 C ATOM 1140 C ARG A 90 -7.359 -8.125 -0.846 1.00 0.00 C ATOM 1141 O ARG A 90 -6.485 -8.997 -0.898 1.00 0.00 O ATOM 1142 CB ARG A 90 -7.976 -7.812 -3.298 1.00 0.00 C ATOM 1143 CG ARG A 90 -8.988 -8.117 -4.415 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.525 -7.669 -5.815 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.158 -8.475 -6.875 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.173 -8.098 -7.663 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.769 -6.918 -7.511 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.606 -8.926 -8.590 1.00 0.00 N ATOM 0 H ARG A 90 -9.469 -6.264 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.964 -9.097 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.688 -6.762 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.074 -8.400 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.182 -9.189 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.932 -7.626 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.769 -6.617 -5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.441 -7.758 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.786 -9.413 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.455 -6.278 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.540 -6.653 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.169 -9.841 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.378 -8.653 -9.198 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.361 -7.134 0.055 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.455 -7.067 1.210 1.00 0.00 C ATOM 1164 C PHE A 91 -6.967 -7.935 2.364 1.00 0.00 C ATOM 1165 O PHE A 91 -8.143 -8.322 2.394 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.257 -5.596 1.674 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.547 -4.784 1.862 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.309 -4.873 3.025 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.974 -3.906 0.871 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.454 -4.115 3.180 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.110 -3.144 1.029 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.851 -3.248 2.185 1.00 0.00 C ATOM 0 H PHE A 91 -8.003 -6.343 0.001 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.487 -7.459 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.711 -5.601 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.629 -5.084 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.001 -5.542 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.403 -3.820 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.039 -4.202 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.419 -2.466 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.742 -2.651 2.312 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.050 -8.240 3.296 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.357 -8.968 4.530 1.00 0.00 C ATOM 1184 C LYS A 92 -7.354 -8.132 5.375 1.00 0.00 C ATOM 1185 O LYS A 92 -7.009 -6.994 5.770 1.00 0.00 O ATOM 1186 CB LYS A 92 -5.035 -9.289 5.313 1.00 0.00 C ATOM 1187 CG LYS A 92 -5.170 -10.303 6.497 1.00 0.00 C ATOM 1188 CD LYS A 92 -5.672 -9.674 7.830 1.00 0.00 C ATOM 1189 CE LYS A 92 -6.267 -10.714 8.794 1.00 0.00 C ATOM 1190 NZ LYS A 92 -7.512 -11.311 8.245 1.00 0.00 N ATOM 1191 OXT LYS A 92 -8.469 -8.620 5.640 1.00 0.00 O ATOM 0 H LYS A 92 -5.066 -7.984 3.210 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.827 -9.924 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.303 -9.681 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.632 -8.355 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.857 -11.097 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.200 -10.769 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.843 -9.164 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.425 -8.918 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.536 -11.501 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.480 -10.243 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.048 -11.764 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.092 -10.565 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.268 -12.023 7.527 1.00 0.00 H new