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 Single : A 30 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 33 GLN : amide:sc= -0.876 K(o=-0.88,f=-5.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0075 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.853 (180deg=0.738) 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= 0.326 K(o=0.33,f=-0.26) USER MOD Single : A 51 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-2.1) 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 HD1:sc= -0.334 X(o=-0.33,f=-0.5) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 0.84 (180deg=0.489) USER MOD Single : A 65 ASN : amide:sc=-0.00161 X(o=-0.0016,f=-0.026) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.531 K(o=-0.53,f=-4.2!) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -0.274 (180deg=-0.529) USER MOD Single : A 77 HIS : no HD1:sc= -0.897 K(o=-0.9,f=-3.6!) USER MOD Single : A 80 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 82 TYR OH : rot -123:sc= -0.0496 USER MOD Single : A 83 ASN : amide:sc= -3.05! K(o=-3.1!,f=-0.44) USER MOD Single : A 84 HIS : no HD1:sc= -0.689 K(o=-0.69,f=0.19) USER MOD Single : A 88 THR OG1 : rot -75:sc= -0.214 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 -6.331 3.832 1.227 1.00 0.00 N ATOM 96 CA ARG A 27 -5.391 4.291 0.187 1.00 0.00 C ATOM 97 C ARG A 27 -4.351 5.280 0.758 1.00 0.00 C ATOM 98 O ARG A 27 -4.617 5.971 1.745 1.00 0.00 O ATOM 99 CB ARG A 27 -6.145 4.943 -1.002 1.00 0.00 C ATOM 100 CG ARG A 27 -6.793 6.338 -0.752 1.00 0.00 C ATOM 101 CD ARG A 27 -8.020 6.287 0.175 1.00 0.00 C ATOM 102 NE ARG A 27 -9.056 5.361 -0.324 1.00 0.00 N ATOM 103 CZ ARG A 27 -10.204 5.073 0.304 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.539 5.659 1.448 1.00 0.00 N ATOM 105 NH2 ARG A 27 -11.030 4.207 -0.246 1.00 0.00 N ATOM 0 HA ARG A 27 -4.862 3.410 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.447 5.038 -1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.930 4.258 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.047 7.004 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.088 6.770 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.708 5.977 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.444 7.287 0.270 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.884 4.903 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.916 6.347 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.419 5.421 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.791 3.768 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.909 3.975 0.217 1.00 0.00 H new ATOM 119 N ALA A 28 -3.173 5.331 0.126 1.00 0.00 N ATOM 120 CA ALA A 28 -2.071 6.221 0.540 1.00 0.00 C ATOM 121 C ALA A 28 -1.885 7.360 -0.478 1.00 0.00 C ATOM 122 O ALA A 28 -1.612 8.507 -0.102 1.00 0.00 O ATOM 123 CB ALA A 28 -0.773 5.410 0.698 1.00 0.00 C ATOM 0 H ALA A 28 -2.952 4.758 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.321 6.668 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.036 6.074 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.916 4.639 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.518 4.942 -0.253 1.00 0.00 H new ATOM 129 N TRP A 29 -2.018 7.022 -1.778 1.00 0.00 N ATOM 130 CA TRP A 29 -1.802 7.960 -2.903 1.00 0.00 C ATOM 131 C TRP A 29 -3.013 7.906 -3.837 1.00 0.00 C ATOM 132 O TRP A 29 -3.572 6.832 -4.049 1.00 0.00 O ATOM 133 CB TRP A 29 -0.518 7.581 -3.691 1.00 0.00 C ATOM 134 CG TRP A 29 0.661 7.256 -2.801 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.443 8.133 -2.098 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.160 5.946 -2.505 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.390 7.441 -1.381 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.237 6.100 -1.620 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.795 4.658 -2.906 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.955 5.014 -1.130 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.508 3.582 -2.421 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.577 3.767 -1.538 1.00 0.00 C ATOM 0 H TRP A 29 -2.280 6.084 -2.080 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.680 8.968 -2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.731 6.722 -4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.249 8.406 -4.351 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.332 9.207 -2.106 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.093 7.858 -0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.032 4.508 -3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.783 5.152 -0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.237 2.582 -2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.115 2.905 -1.171 1.00 0.00 H new ATOM 153 N THR A 30 -3.378 9.048 -4.429 1.00 0.00 N ATOM 154 CA THR A 30 -4.543 9.149 -5.327 1.00 0.00 C ATOM 155 C THR A 30 -4.146 8.712 -6.745 1.00 0.00 C ATOM 156 O THR A 30 -2.952 8.557 -7.026 1.00 0.00 O ATOM 157 CB THR A 30 -5.111 10.606 -5.324 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.040 11.547 -5.505 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.863 10.926 -4.021 1.00 0.00 C ATOM 0 H THR A 30 -2.879 9.928 -4.302 1.00 0.00 H new ATOM 0 HA THR A 30 -5.330 8.485 -4.969 1.00 0.00 H new ATOM 0 HB THR A 30 -5.820 10.685 -6.148 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.401 12.458 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.241 11.948 -4.061 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.697 10.235 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.184 10.823 -3.174 1.00 0.00 H new ATOM 167 N VAL A 31 -5.145 8.539 -7.640 1.00 0.00 N ATOM 168 CA VAL A 31 -4.921 7.992 -9.004 1.00 0.00 C ATOM 169 C VAL A 31 -3.887 8.831 -9.796 1.00 0.00 C ATOM 170 O VAL A 31 -3.084 8.281 -10.559 1.00 0.00 O ATOM 171 CB VAL A 31 -6.275 7.829 -9.814 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.044 9.163 -9.939 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.038 7.184 -11.212 1.00 0.00 C ATOM 0 H VAL A 31 -6.119 8.770 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.504 6.993 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.901 7.148 -9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.964 9.001 -10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.287 9.537 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.424 9.893 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.990 7.090 -11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.365 7.814 -11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.593 6.197 -11.087 1.00 0.00 H new ATOM 183 N GLU A 32 -3.907 10.156 -9.558 1.00 0.00 N ATOM 184 CA GLU A 32 -2.966 11.113 -10.167 1.00 0.00 C ATOM 185 C GLU A 32 -1.526 10.892 -9.656 1.00 0.00 C ATOM 186 O GLU A 32 -0.575 10.947 -10.443 1.00 0.00 O ATOM 187 CB GLU A 32 -3.452 12.571 -9.900 1.00 0.00 C ATOM 188 CG GLU A 32 -3.480 12.992 -8.417 1.00 0.00 C ATOM 189 CD GLU A 32 -4.106 14.379 -8.189 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.379 15.391 -8.282 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.332 14.464 -7.918 1.00 0.00 O ATOM 0 H GLU A 32 -4.582 10.595 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.946 10.946 -11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.804 13.258 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.455 12.684 -10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.039 12.251 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.462 12.992 -8.027 1.00 0.00 H new ATOM 198 N GLN A 33 -1.381 10.629 -8.335 1.00 0.00 N ATOM 199 CA GLN A 33 -0.074 10.369 -7.698 1.00 0.00 C ATOM 200 C GLN A 33 0.513 9.024 -8.158 1.00 0.00 C ATOM 201 O GLN A 33 1.729 8.905 -8.345 1.00 0.00 O ATOM 202 CB GLN A 33 -0.192 10.418 -6.150 1.00 0.00 C ATOM 203 CG GLN A 33 -0.535 11.805 -5.556 1.00 0.00 C ATOM 204 CD GLN A 33 0.541 12.895 -5.769 1.00 0.00 C ATOM 205 OE1 GLN A 33 1.238 12.939 -6.785 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.682 13.790 -4.801 1.00 0.00 N ATOM 0 H GLN A 33 -2.166 10.592 -7.685 1.00 0.00 H new ATOM 0 HA GLN A 33 0.610 11.157 -8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.958 9.708 -5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.751 10.080 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.471 12.150 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.708 11.692 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.096 13.737 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.377 14.532 -4.889 1.00 0.00 H new ATOM 215 N LEU A 34 -0.369 8.043 -8.376 1.00 0.00 N ATOM 216 CA LEU A 34 0.022 6.693 -8.813 1.00 0.00 C ATOM 217 C LEU A 34 0.626 6.725 -10.220 1.00 0.00 C ATOM 218 O LEU A 34 1.648 6.107 -10.485 1.00 0.00 O ATOM 219 CB LEU A 34 -1.197 5.768 -8.806 1.00 0.00 C ATOM 220 CG LEU A 34 -1.880 5.557 -7.432 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.225 4.867 -7.629 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.976 4.771 -6.453 1.00 0.00 C ATOM 0 H LEU A 34 -1.375 8.160 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 34 0.774 6.318 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.936 6.168 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.892 4.795 -9.192 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.049 6.533 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.704 4.720 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.863 5.487 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.071 3.900 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.493 4.645 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.748 3.792 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.049 5.321 -6.292 1.00 0.00 H new ATOM 234 N ARG A 35 -0.048 7.459 -11.120 1.00 0.00 N ATOM 235 CA ARG A 35 0.392 7.608 -12.517 1.00 0.00 C ATOM 236 C ARG A 35 1.535 8.642 -12.640 1.00 0.00 C ATOM 237 O ARG A 35 2.224 8.667 -13.661 1.00 0.00 O ATOM 238 CB ARG A 35 -0.816 7.982 -13.416 1.00 0.00 C ATOM 239 CG ARG A 35 -1.977 6.956 -13.350 1.00 0.00 C ATOM 240 CD ARG A 35 -3.130 7.280 -14.317 1.00 0.00 C ATOM 241 NE ARG A 35 -4.267 6.340 -14.185 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.351 5.114 -14.723 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.327 4.575 -15.380 1.00 0.00 N ATOM 244 NH2 ARG A 35 -5.454 4.404 -14.563 1.00 0.00 N ATOM 0 H ARG A 35 -0.908 7.963 -10.902 1.00 0.00 H new ATOM 0 HA ARG A 35 0.791 6.653 -12.859 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.190 8.962 -13.119 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.477 8.070 -14.448 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.589 5.963 -13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.365 6.921 -12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.480 8.296 -14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.758 7.253 -15.341 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.063 6.655 -13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.456 5.096 -15.483 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.413 3.641 -15.781 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.236 4.789 -14.033 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.524 3.471 -14.970 1.00 0.00 H new ATOM 258 N SER A 36 1.734 9.473 -11.588 1.00 0.00 N ATOM 259 CA SER A 36 2.783 10.517 -11.566 1.00 0.00 C ATOM 260 C SER A 36 4.191 9.900 -11.629 1.00 0.00 C ATOM 261 O SER A 36 4.484 8.913 -10.942 1.00 0.00 O ATOM 262 CB SER A 36 2.667 11.404 -10.301 1.00 0.00 C ATOM 263 OG SER A 36 3.719 12.357 -10.237 1.00 0.00 O ATOM 0 H SER A 36 1.174 9.438 -10.736 1.00 0.00 H new ATOM 0 HA SER A 36 2.630 11.137 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.707 11.920 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.689 10.775 -9.411 1.00 0.00 H new ATOM 0 HG SER A 36 3.618 12.903 -9.429 1.00 0.00 H new ATOM 269 N GLU A 37 5.056 10.549 -12.428 1.00 0.00 N ATOM 270 CA GLU A 37 6.456 10.146 -12.646 1.00 0.00 C ATOM 271 C GLU A 37 7.305 10.275 -11.354 1.00 0.00 C ATOM 272 O GLU A 37 8.366 9.652 -11.239 1.00 0.00 O ATOM 273 CB GLU A 37 7.053 11.020 -13.778 1.00 0.00 C ATOM 274 CG GLU A 37 7.052 12.533 -13.479 1.00 0.00 C ATOM 275 CD GLU A 37 7.487 13.388 -14.676 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.618 13.755 -15.500 1.00 0.00 O ATOM 277 OE2 GLU A 37 8.692 13.690 -14.808 1.00 0.00 O ATOM 0 H GLU A 37 4.796 11.385 -12.951 1.00 0.00 H new ATOM 0 HA GLU A 37 6.476 9.094 -12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.078 10.699 -13.967 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.490 10.842 -14.694 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.051 12.835 -13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.718 12.731 -12.639 1.00 0.00 H new ATOM 284 N GLN A 38 6.804 11.067 -10.387 1.00 0.00 N ATOM 285 CA GLN A 38 7.483 11.344 -9.116 1.00 0.00 C ATOM 286 C GLN A 38 7.430 10.121 -8.182 1.00 0.00 C ATOM 287 O GLN A 38 8.463 9.679 -7.670 1.00 0.00 O ATOM 288 CB GLN A 38 6.822 12.565 -8.436 1.00 0.00 C ATOM 289 CG GLN A 38 6.895 13.863 -9.267 1.00 0.00 C ATOM 290 CD GLN A 38 6.104 15.023 -8.659 1.00 0.00 C ATOM 291 OE1 GLN A 38 5.928 15.099 -7.445 1.00 0.00 O ATOM 292 NE2 GLN A 38 5.623 15.931 -9.489 1.00 0.00 N ATOM 0 H GLN A 38 5.903 11.537 -10.472 1.00 0.00 H new ATOM 0 HA GLN A 38 8.531 11.563 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.776 12.333 -8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.302 12.735 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.939 14.160 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.519 13.664 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.785 15.842 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.090 16.721 -9.127 1.00 0.00 H new ATOM 301 N LEU A 39 6.215 9.578 -7.979 1.00 0.00 N ATOM 302 CA LEU A 39 5.983 8.454 -7.048 1.00 0.00 C ATOM 303 C LEU A 39 6.594 7.150 -7.614 1.00 0.00 C ATOM 304 O LEU A 39 6.201 6.737 -8.718 1.00 0.00 O ATOM 305 CB LEU A 39 4.461 8.272 -6.807 1.00 0.00 C ATOM 306 CG LEU A 39 4.049 7.165 -5.776 1.00 0.00 C ATOM 307 CD1 LEU A 39 4.492 7.525 -4.342 1.00 0.00 C ATOM 308 CD2 LEU A 39 2.535 6.873 -5.843 1.00 0.00 C ATOM 0 H LEU A 39 5.371 9.902 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 39 6.468 8.679 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.052 9.224 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.988 8.043 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 39 4.574 6.251 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.188 6.733 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.576 7.634 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.025 8.463 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.281 6.101 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.979 7.782 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.275 6.529 -6.844 1.00 0.00 H new ATOM 320 N PRO A 40 7.568 6.489 -6.885 1.00 0.00 N ATOM 321 CA PRO A 40 8.219 5.244 -7.360 1.00 0.00 C ATOM 322 C PRO A 40 7.216 4.081 -7.494 1.00 0.00 C ATOM 323 O PRO A 40 6.347 3.892 -6.632 1.00 0.00 O ATOM 324 CB PRO A 40 9.305 4.940 -6.280 1.00 0.00 C ATOM 325 CG PRO A 40 9.474 6.235 -5.541 1.00 0.00 C ATOM 326 CD PRO A 40 8.108 6.885 -5.557 1.00 0.00 C ATOM 0 HA PRO A 40 8.644 5.362 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.987 4.140 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.241 4.619 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.816 6.064 -4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.217 6.869 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.480 6.526 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.175 7.968 -5.454 1.00 0.00 H new ATOM 334 N LYS A 41 7.364 3.310 -8.578 1.00 0.00 N ATOM 335 CA LYS A 41 6.472 2.192 -8.907 1.00 0.00 C ATOM 336 C LYS A 41 6.664 1.031 -7.919 1.00 0.00 C ATOM 337 O LYS A 41 5.705 0.347 -7.575 1.00 0.00 O ATOM 338 CB LYS A 41 6.722 1.738 -10.368 1.00 0.00 C ATOM 339 CG LYS A 41 8.079 1.069 -10.645 1.00 0.00 C ATOM 340 CD LYS A 41 8.248 0.689 -12.128 1.00 0.00 C ATOM 341 CE LYS A 41 7.144 -0.252 -12.638 1.00 0.00 C ATOM 342 NZ LYS A 41 7.386 -0.667 -14.037 1.00 0.00 N ATOM 0 H LYS A 41 8.113 3.446 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 41 5.437 2.524 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.932 1.042 -10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.629 2.608 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.882 1.745 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.174 0.175 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.251 1.597 -12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.218 0.211 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.093 -1.134 -12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.178 0.248 -12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.691 -1.391 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.292 0.157 -14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.346 -1.059 -14.122 1.00 0.00 H new ATOM 356 N LYS A 42 7.905 0.870 -7.427 1.00 0.00 N ATOM 357 CA LYS A 42 8.252 -0.135 -6.406 1.00 0.00 C ATOM 358 C LYS A 42 7.655 0.244 -5.035 1.00 0.00 C ATOM 359 O LYS A 42 7.348 -0.634 -4.230 1.00 0.00 O ATOM 360 CB LYS A 42 9.793 -0.325 -6.334 1.00 0.00 C ATOM 361 CG LYS A 42 10.609 0.973 -6.140 1.00 0.00 C ATOM 362 CD LYS A 42 12.135 0.709 -6.178 1.00 0.00 C ATOM 363 CE LYS A 42 12.975 1.997 -6.219 1.00 0.00 C ATOM 364 NZ LYS A 42 12.758 2.846 -5.026 1.00 0.00 N ATOM 0 H LYS A 42 8.699 1.436 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 42 7.814 -1.091 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.021 -1.004 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.126 -0.811 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.345 1.687 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.343 1.429 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.418 0.127 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.370 0.102 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.031 1.737 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.725 2.563 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.344 3.702 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.755 3.117 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.022 2.317 -4.171 1.00 0.00 H new ATOM 378 N ASP A 43 7.482 1.556 -4.794 1.00 0.00 N ATOM 379 CA ASP A 43 6.846 2.060 -3.560 1.00 0.00 C ATOM 380 C ASP A 43 5.338 1.711 -3.552 1.00 0.00 C ATOM 381 O ASP A 43 4.778 1.369 -2.505 1.00 0.00 O ATOM 382 CB ASP A 43 7.077 3.586 -3.426 1.00 0.00 C ATOM 383 CG ASP A 43 6.562 4.186 -2.104 1.00 0.00 C ATOM 384 OD1 ASP A 43 6.840 3.615 -1.021 1.00 0.00 O ATOM 385 OD2 ASP A 43 5.933 5.260 -2.131 1.00 0.00 O ATOM 0 H ASP A 43 7.774 2.290 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 43 7.303 1.575 -2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.144 3.790 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.586 4.091 -4.258 1.00 0.00 H new ATOM 390 N ILE A 44 4.701 1.763 -4.743 1.00 0.00 N ATOM 391 CA ILE A 44 3.281 1.386 -4.911 1.00 0.00 C ATOM 392 C ILE A 44 3.102 -0.127 -4.651 1.00 0.00 C ATOM 393 O ILE A 44 2.282 -0.531 -3.821 1.00 0.00 O ATOM 394 CB ILE A 44 2.739 1.747 -6.349 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.984 3.253 -6.672 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.234 1.392 -6.486 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.496 3.691 -8.041 1.00 0.00 C ATOM 0 H ILE A 44 5.152 2.065 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 44 2.703 1.958 -4.185 1.00 0.00 H new ATOM 0 HB ILE A 44 3.291 1.149 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.490 3.859 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.052 3.458 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.889 1.652 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.096 0.324 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.660 1.951 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.707 4.751 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.008 3.115 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.422 3.522 -8.116 1.00 0.00 H new ATOM 409 N ILE A 45 3.905 -0.941 -5.372 1.00 0.00 N ATOM 410 CA ILE A 45 3.894 -2.424 -5.267 1.00 0.00 C ATOM 411 C ILE A 45 4.133 -2.880 -3.817 1.00 0.00 C ATOM 412 O ILE A 45 3.482 -3.810 -3.350 1.00 0.00 O ATOM 413 CB ILE A 45 4.998 -3.051 -6.201 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.722 -2.669 -7.681 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.100 -4.593 -6.029 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.849 -2.971 -8.652 1.00 0.00 C ATOM 0 H ILE A 45 4.584 -0.589 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 45 2.910 -2.770 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 45 5.962 -2.638 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.828 -3.196 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.500 -1.603 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.873 -4.983 -6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.356 -4.828 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.143 -5.051 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.555 -2.667 -9.657 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.743 -2.423 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.059 -4.040 -8.644 1.00 0.00 H new ATOM 428 N LYS A 46 5.053 -2.185 -3.125 1.00 0.00 N ATOM 429 CA LYS A 46 5.394 -2.456 -1.718 1.00 0.00 C ATOM 430 C LYS A 46 4.148 -2.353 -0.822 1.00 0.00 C ATOM 431 O LYS A 46 3.898 -3.229 0.001 1.00 0.00 O ATOM 432 CB LYS A 46 6.490 -1.475 -1.232 1.00 0.00 C ATOM 433 CG LYS A 46 6.917 -1.659 0.244 1.00 0.00 C ATOM 434 CD LYS A 46 8.056 -0.703 0.673 1.00 0.00 C ATOM 435 CE LYS A 46 9.341 -0.905 -0.150 1.00 0.00 C ATOM 436 NZ LYS A 46 10.462 -0.071 0.335 1.00 0.00 N ATOM 0 H LYS A 46 5.584 -1.414 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 46 5.778 -3.474 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.369 -1.590 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.131 -0.455 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.053 -1.496 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.239 -2.689 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.719 0.328 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.277 -0.858 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.631 -1.955 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.141 -0.667 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.303 -0.244 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.199 0.933 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.674 -0.315 1.323 1.00 0.00 H new ATOM 450 N PHE A 47 3.364 -1.284 -1.040 1.00 0.00 N ATOM 451 CA PHE A 47 2.110 -1.054 -0.306 1.00 0.00 C ATOM 452 C PHE A 47 1.096 -2.172 -0.614 1.00 0.00 C ATOM 453 O PHE A 47 0.530 -2.769 0.298 1.00 0.00 O ATOM 454 CB PHE A 47 1.514 0.338 -0.659 1.00 0.00 C ATOM 455 CG PHE A 47 0.194 0.690 0.047 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.018 0.344 1.376 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.825 1.377 -0.618 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.196 0.658 2.021 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.009 1.697 0.029 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.189 1.339 1.352 1.00 0.00 C ATOM 0 H PHE A 47 3.580 -0.560 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 47 2.328 -1.069 0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.252 1.102 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.353 0.383 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.756 -0.182 1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.689 1.663 -1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.340 0.370 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.789 2.225 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.107 1.593 1.861 1.00 0.00 H new ATOM 470 N LEU A 48 0.924 -2.470 -1.907 1.00 0.00 N ATOM 471 CA LEU A 48 -0.111 -3.397 -2.389 1.00 0.00 C ATOM 472 C LEU A 48 0.172 -4.858 -1.976 1.00 0.00 C ATOM 473 O LEU A 48 -0.767 -5.625 -1.769 1.00 0.00 O ATOM 474 CB LEU A 48 -0.249 -3.269 -3.926 1.00 0.00 C ATOM 475 CG LEU A 48 -0.608 -1.847 -4.467 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.633 -1.833 -6.009 1.00 0.00 C ATOM 477 CD2 LEU A 48 -1.944 -1.332 -3.880 1.00 0.00 C ATOM 0 H LEU A 48 1.499 -2.075 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.055 -3.121 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.690 -3.583 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.016 -3.968 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 48 0.174 -1.164 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.885 -0.832 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.348 -2.115 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.379 -2.542 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.159 -0.341 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.748 -2.015 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.867 -1.276 -2.794 1.00 0.00 H new ATOM 489 N GLN A 49 1.468 -5.232 -1.858 1.00 0.00 N ATOM 490 CA GLN A 49 1.859 -6.608 -1.463 1.00 0.00 C ATOM 491 C GLN A 49 1.867 -6.780 0.069 1.00 0.00 C ATOM 492 O GLN A 49 1.517 -7.848 0.583 1.00 0.00 O ATOM 493 CB GLN A 49 3.218 -7.035 -2.085 1.00 0.00 C ATOM 494 CG GLN A 49 4.471 -6.364 -1.488 1.00 0.00 C ATOM 495 CD GLN A 49 5.795 -6.951 -1.993 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.762 -7.029 -1.245 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.868 -7.319 -3.264 1.00 0.00 N ATOM 0 H GLN A 49 2.255 -4.607 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 49 1.098 -7.276 -1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.322 -8.115 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.190 -6.822 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.446 -5.299 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.436 -6.454 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.047 -7.243 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.745 -7.678 -3.641 1.00 0.00 H new ATOM 506 N GLU A 50 2.283 -5.720 0.787 1.00 0.00 N ATOM 507 CA GLU A 50 2.349 -5.711 2.267 1.00 0.00 C ATOM 508 C GLU A 50 0.932 -5.730 2.863 1.00 0.00 C ATOM 509 O GLU A 50 0.656 -6.414 3.853 1.00 0.00 O ATOM 510 CB GLU A 50 3.122 -4.447 2.745 1.00 0.00 C ATOM 511 CG GLU A 50 3.278 -4.271 4.273 1.00 0.00 C ATOM 512 CD GLU A 50 4.054 -5.404 4.969 1.00 0.00 C ATOM 513 OE1 GLU A 50 5.299 -5.440 4.861 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.426 -6.248 5.642 1.00 0.00 O ATOM 0 H GLU A 50 2.584 -4.844 0.361 1.00 0.00 H new ATOM 0 HA GLU A 50 2.876 -6.602 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.117 -4.467 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.614 -3.567 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.786 -3.327 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.287 -4.198 4.721 1.00 0.00 H new ATOM 521 N HIS A 51 0.038 -4.977 2.204 1.00 0.00 N ATOM 522 CA HIS A 51 -1.331 -4.744 2.686 1.00 0.00 C ATOM 523 C HIS A 51 -2.298 -5.772 2.076 1.00 0.00 C ATOM 524 O HIS A 51 -3.085 -6.393 2.802 1.00 0.00 O ATOM 525 CB HIS A 51 -1.749 -3.291 2.350 1.00 0.00 C ATOM 526 CG HIS A 51 -2.909 -2.778 3.144 1.00 0.00 C ATOM 527 ND1 HIS A 51 -3.208 -3.216 4.417 1.00 0.00 N ATOM 528 CD2 HIS A 51 -3.815 -1.820 2.862 1.00 0.00 C ATOM 529 CE1 HIS A 51 -4.239 -2.554 4.874 1.00 0.00 C ATOM 530 NE2 HIS A 51 -4.627 -1.700 3.953 1.00 0.00 N ATOM 0 H HIS A 51 0.245 -4.512 1.320 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.368 -4.872 3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.895 -2.634 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.997 -3.234 1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.885 -1.254 1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.695 -2.686 5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.410 -1.051 4.040 1.00 0.00 H new ATOM 539 N GLY A 52 -2.236 -5.930 0.738 1.00 0.00 N ATOM 540 CA GLY A 52 -2.984 -6.967 0.019 1.00 0.00 C ATOM 541 C GLY A 52 -2.543 -8.383 0.377 1.00 0.00 C ATOM 542 O GLY A 52 -1.354 -8.621 0.604 1.00 0.00 O ATOM 0 H GLY A 52 -1.665 -5.341 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.046 -6.858 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.863 -6.816 -1.054 1.00 0.00 H new ATOM 546 N SER A 53 -3.508 -9.315 0.402 1.00 0.00 N ATOM 547 CA SER A 53 -3.274 -10.728 0.758 1.00 0.00 C ATOM 548 C SER A 53 -2.918 -11.558 -0.502 1.00 0.00 C ATOM 549 O SER A 53 -3.150 -11.106 -1.628 1.00 0.00 O ATOM 550 CB SER A 53 -4.530 -11.274 1.477 1.00 0.00 C ATOM 551 OG SER A 53 -4.353 -12.609 1.913 1.00 0.00 O ATOM 0 H SER A 53 -4.481 -9.110 0.174 1.00 0.00 H new ATOM 0 HA SER A 53 -2.423 -10.807 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.762 -10.641 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.385 -11.223 0.802 1.00 0.00 H new ATOM 0 HG SER A 53 -5.167 -12.917 2.363 1.00 0.00 H new ATOM 557 N ASP A 54 -2.404 -12.799 -0.283 1.00 0.00 N ATOM 558 CA ASP A 54 -1.790 -13.647 -1.349 1.00 0.00 C ATOM 559 C ASP A 54 -2.747 -13.934 -2.510 1.00 0.00 C ATOM 560 O ASP A 54 -2.318 -14.009 -3.665 1.00 0.00 O ATOM 561 CB ASP A 54 -1.291 -15.008 -0.791 1.00 0.00 C ATOM 562 CG ASP A 54 -0.160 -14.866 0.229 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.935 -14.405 -0.154 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.356 -15.213 1.416 1.00 0.00 O ATOM 0 H ASP A 54 -2.402 -13.242 0.636 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.948 -13.062 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.127 -15.530 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.948 -15.629 -1.619 1.00 0.00 H new ATOM 569 N SER A 55 -4.034 -14.106 -2.179 1.00 0.00 N ATOM 570 CA SER A 55 -5.093 -14.426 -3.156 1.00 0.00 C ATOM 571 C SER A 55 -5.288 -13.280 -4.176 1.00 0.00 C ATOM 572 O SER A 55 -5.667 -13.526 -5.317 1.00 0.00 O ATOM 573 CB SER A 55 -6.415 -14.731 -2.410 1.00 0.00 C ATOM 574 OG SER A 55 -7.470 -15.080 -3.297 1.00 0.00 O ATOM 0 H SER A 55 -4.375 -14.027 -1.221 1.00 0.00 H new ATOM 0 HA SER A 55 -4.788 -15.309 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.252 -15.547 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.709 -13.859 -1.826 1.00 0.00 H new ATOM 0 HG SER A 55 -8.283 -15.265 -2.782 1.00 0.00 H new ATOM 580 N PHE A 56 -5.053 -12.040 -3.727 1.00 0.00 N ATOM 581 CA PHE A 56 -5.008 -10.854 -4.600 1.00 0.00 C ATOM 582 C PHE A 56 -3.675 -10.815 -5.383 1.00 0.00 C ATOM 583 O PHE A 56 -3.654 -10.560 -6.596 1.00 0.00 O ATOM 584 CB PHE A 56 -5.179 -9.568 -3.738 1.00 0.00 C ATOM 585 CG PHE A 56 -5.019 -8.260 -4.507 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.031 -7.792 -5.337 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.850 -7.507 -4.412 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.880 -6.620 -6.045 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.702 -6.337 -5.120 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.715 -5.896 -5.934 1.00 0.00 C ATOM 0 H PHE A 56 -4.888 -11.828 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.823 -10.906 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.167 -9.584 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.449 -9.590 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.948 -8.355 -5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.049 -7.847 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.675 -6.270 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.789 -5.766 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.597 -4.977 -6.490 1.00 0.00 H new ATOM 600 N LEU A 57 -2.571 -11.063 -4.649 1.00 0.00 N ATOM 601 CA LEU A 57 -1.195 -10.860 -5.148 1.00 0.00 C ATOM 602 C LEU A 57 -0.839 -11.795 -6.307 1.00 0.00 C ATOM 603 O LEU A 57 -0.052 -11.424 -7.161 1.00 0.00 O ATOM 604 CB LEU A 57 -0.154 -11.020 -4.015 1.00 0.00 C ATOM 605 CG LEU A 57 -0.305 -10.068 -2.795 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.894 -10.209 -1.843 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.523 -8.607 -3.238 1.00 0.00 C ATOM 0 H LEU A 57 -2.609 -11.411 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.164 -9.837 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.198 -12.047 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.839 -10.874 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.199 -10.364 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.768 -9.534 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.954 -11.236 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.812 -9.957 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.624 -7.971 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.330 -8.275 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.429 -8.541 -3.840 1.00 0.00 H new ATOM 619 N ALA A 58 -1.382 -13.018 -6.296 1.00 0.00 N ATOM 620 CA ALA A 58 -1.142 -14.004 -7.366 1.00 0.00 C ATOM 621 C ALA A 58 -1.804 -13.551 -8.670 1.00 0.00 C ATOM 622 O ALA A 58 -1.165 -13.533 -9.730 1.00 0.00 O ATOM 623 CB ALA A 58 -1.653 -15.390 -6.941 1.00 0.00 C ATOM 0 H ALA A 58 -1.996 -13.354 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.068 -14.077 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.469 -16.107 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.130 -15.710 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.723 -15.337 -6.740 1.00 0.00 H new ATOM 629 N GLU A 59 -3.079 -13.157 -8.569 1.00 0.00 N ATOM 630 CA GLU A 59 -3.881 -12.720 -9.729 1.00 0.00 C ATOM 631 C GLU A 59 -3.272 -11.461 -10.381 1.00 0.00 C ATOM 632 O GLU A 59 -3.326 -11.299 -11.600 1.00 0.00 O ATOM 633 CB GLU A 59 -5.346 -12.450 -9.292 1.00 0.00 C ATOM 634 CG GLU A 59 -5.991 -13.572 -8.448 1.00 0.00 C ATOM 635 CD GLU A 59 -5.955 -14.962 -9.110 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.826 -15.249 -9.963 1.00 0.00 O ATOM 637 OE2 GLU A 59 -5.065 -15.781 -8.772 1.00 0.00 O ATOM 0 H GLU A 59 -3.587 -13.130 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.874 -13.519 -10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.374 -11.523 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.952 -12.292 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.480 -13.627 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.028 -13.306 -8.243 1.00 0.00 H new ATOM 644 N HIS A 60 -2.665 -10.590 -9.550 1.00 0.00 N ATOM 645 CA HIS A 60 -2.065 -9.318 -10.007 1.00 0.00 C ATOM 646 C HIS A 60 -0.519 -9.371 -10.024 1.00 0.00 C ATOM 647 O HIS A 60 0.119 -8.356 -10.274 1.00 0.00 O ATOM 648 CB HIS A 60 -2.569 -8.148 -9.117 1.00 0.00 C ATOM 649 CG HIS A 60 -4.047 -7.870 -9.241 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.552 -6.714 -9.789 1.00 0.00 N ATOM 651 CD2 HIS A 60 -5.123 -8.604 -8.879 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.867 -6.747 -9.758 1.00 0.00 C ATOM 653 NE2 HIS A 60 -6.242 -7.881 -9.211 1.00 0.00 N ATOM 0 H HIS A 60 -2.576 -10.747 -8.546 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.383 -9.151 -11.036 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.339 -8.373 -8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.017 -7.245 -9.377 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.106 -9.579 -8.415 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.527 -5.973 -10.121 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.206 -8.176 -9.058 1.00 0.00 H new ATOM 662 N LYS A 61 0.054 -10.558 -9.720 1.00 0.00 N ATOM 663 CA LYS A 61 1.525 -10.830 -9.792 1.00 0.00 C ATOM 664 C LYS A 61 2.371 -9.847 -8.936 1.00 0.00 C ATOM 665 O LYS A 61 3.548 -9.615 -9.223 1.00 0.00 O ATOM 666 CB LYS A 61 2.003 -10.849 -11.275 1.00 0.00 C ATOM 667 CG LYS A 61 1.300 -11.907 -12.152 1.00 0.00 C ATOM 668 CD LYS A 61 1.529 -13.356 -11.658 1.00 0.00 C ATOM 669 CE LYS A 61 0.777 -14.396 -12.511 1.00 0.00 C ATOM 670 NZ LYS A 61 -0.691 -14.155 -12.529 1.00 0.00 N ATOM 0 H LYS A 61 -0.488 -11.366 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 61 1.686 -11.817 -9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.838 -9.864 -11.711 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.077 -11.031 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.230 -11.701 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.660 -11.818 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.596 -13.578 -11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.204 -13.438 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.160 -14.371 -13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.974 -15.394 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.181 -15.017 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.013 -13.902 -11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.907 -13.377 -13.184 1.00 0.00 H new ATOM 684 N LEU A 62 1.764 -9.321 -7.851 1.00 0.00 N ATOM 685 CA LEU A 62 2.407 -8.340 -6.947 1.00 0.00 C ATOM 686 C LEU A 62 3.193 -9.024 -5.819 1.00 0.00 C ATOM 687 O LEU A 62 3.901 -8.346 -5.074 1.00 0.00 O ATOM 688 CB LEU A 62 1.349 -7.395 -6.337 1.00 0.00 C ATOM 689 CG LEU A 62 0.533 -6.545 -7.349 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.526 -5.725 -6.620 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.446 -5.641 -8.222 1.00 0.00 C ATOM 0 H LEU A 62 0.812 -9.564 -7.576 1.00 0.00 H new ATOM 0 HA LEU A 62 3.111 -7.765 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.652 -7.993 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.850 -6.718 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 62 0.031 -7.232 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.090 -5.134 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.204 -6.395 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.042 -5.059 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.832 -5.065 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.005 -4.960 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.142 -6.263 -8.785 1.00 0.00 H new ATOM 703 N LEU A 63 3.047 -10.356 -5.690 1.00 0.00 N ATOM 704 CA LEU A 63 3.779 -11.150 -4.682 1.00 0.00 C ATOM 705 C LEU A 63 5.287 -11.188 -4.983 1.00 0.00 C ATOM 706 O LEU A 63 5.726 -10.826 -6.087 1.00 0.00 O ATOM 707 CB LEU A 63 3.167 -12.588 -4.562 1.00 0.00 C ATOM 708 CG LEU A 63 2.819 -13.363 -5.888 1.00 0.00 C ATOM 709 CD1 LEU A 63 4.063 -13.739 -6.721 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.962 -14.610 -5.577 1.00 0.00 C ATOM 0 H LEU A 63 2.423 -10.910 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 63 3.665 -10.661 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.866 -13.201 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.254 -12.513 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 63 2.240 -12.677 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.752 -14.270 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.600 -12.833 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.717 -14.379 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.731 -15.133 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.515 -15.275 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.035 -14.303 -5.093 1.00 0.00 H new ATOM 722 N GLY A 64 6.063 -11.653 -3.997 1.00 0.00 N ATOM 723 CA GLY A 64 7.494 -11.858 -4.164 1.00 0.00 C ATOM 724 C GLY A 64 8.304 -10.572 -4.112 1.00 0.00 C ATOM 725 O GLY A 64 7.874 -9.578 -3.513 1.00 0.00 O ATOM 0 H GLY A 64 5.713 -11.894 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.849 -12.533 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.673 -12.352 -5.119 1.00 0.00 H new ATOM 729 N ASN A 65 9.482 -10.610 -4.759 1.00 0.00 N ATOM 730 CA ASN A 65 10.442 -9.494 -4.774 1.00 0.00 C ATOM 731 C ASN A 65 9.844 -8.277 -5.491 1.00 0.00 C ATOM 732 O ASN A 65 9.410 -8.384 -6.638 1.00 0.00 O ATOM 733 CB ASN A 65 11.764 -9.926 -5.455 1.00 0.00 C ATOM 734 CG ASN A 65 12.416 -11.120 -4.764 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.138 -12.271 -5.104 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.268 -10.866 -3.777 1.00 0.00 N ATOM 0 H ASN A 65 9.796 -11.422 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 65 10.658 -9.214 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.567 -10.177 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.459 -9.087 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.713 -11.635 -3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.477 -9.901 -3.519 1.00 0.00 H new ATOM 743 N ILE A 66 9.831 -7.137 -4.782 1.00 0.00 N ATOM 744 CA ILE A 66 9.287 -5.856 -5.281 1.00 0.00 C ATOM 745 C ILE A 66 10.009 -5.429 -6.579 1.00 0.00 C ATOM 746 O ILE A 66 9.366 -5.011 -7.539 1.00 0.00 O ATOM 747 CB ILE A 66 9.447 -4.727 -4.197 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.865 -5.190 -2.830 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.772 -3.415 -4.649 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.136 -4.259 -1.663 1.00 0.00 C ATOM 0 H ILE A 66 10.202 -7.074 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 66 8.227 -6.000 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 66 10.513 -4.534 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.787 -5.311 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.274 -6.172 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.901 -2.655 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.229 -3.071 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.709 -3.590 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.690 -4.671 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.212 -4.155 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.701 -3.281 -1.869 1.00 0.00 H new ATOM 762 N LYS A 67 11.356 -5.529 -6.560 1.00 0.00 N ATOM 763 CA LYS A 67 12.236 -5.281 -7.727 1.00 0.00 C ATOM 764 C LYS A 67 11.782 -6.084 -8.966 1.00 0.00 C ATOM 765 O LYS A 67 11.707 -5.542 -10.074 1.00 0.00 O ATOM 766 CB LYS A 67 13.691 -5.674 -7.344 1.00 0.00 C ATOM 767 CG LYS A 67 14.351 -4.763 -6.274 1.00 0.00 C ATOM 768 CD LYS A 67 15.374 -5.506 -5.376 1.00 0.00 C ATOM 769 CE LYS A 67 16.491 -6.217 -6.156 1.00 0.00 C ATOM 770 NZ LYS A 67 17.363 -5.271 -6.888 1.00 0.00 N ATOM 0 H LYS A 67 11.873 -5.789 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 67 12.182 -4.224 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.691 -6.700 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.306 -5.658 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.852 -3.934 -6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.572 -4.332 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.824 -4.791 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.844 -6.241 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.096 -6.803 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.047 -6.918 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.099 -5.800 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.793 -4.729 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.810 -4.618 -6.213 1.00 0.00 H new ATOM 784 N ASN A 68 11.483 -7.381 -8.748 1.00 0.00 N ATOM 785 CA ASN A 68 11.049 -8.308 -9.814 1.00 0.00 C ATOM 786 C ASN A 68 9.690 -7.875 -10.405 1.00 0.00 C ATOM 787 O ASN A 68 9.491 -7.933 -11.621 1.00 0.00 O ATOM 788 CB ASN A 68 10.988 -9.763 -9.276 1.00 0.00 C ATOM 789 CG ASN A 68 10.433 -10.772 -10.294 1.00 0.00 C ATOM 790 OD1 ASN A 68 11.170 -11.325 -11.113 1.00 0.00 O ATOM 791 ND2 ASN A 68 9.130 -11.037 -10.235 1.00 0.00 N ATOM 0 H ASN A 68 11.536 -7.816 -7.827 1.00 0.00 H new ATOM 0 HA ASN A 68 11.784 -8.273 -10.618 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.989 -10.074 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.368 -9.785 -8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.717 -11.713 -10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.544 -10.564 -9.547 1.00 0.00 H new ATOM 798 N VAL A 69 8.764 -7.435 -9.534 1.00 0.00 N ATOM 799 CA VAL A 69 7.440 -6.953 -9.978 1.00 0.00 C ATOM 800 C VAL A 69 7.585 -5.581 -10.692 1.00 0.00 C ATOM 801 O VAL A 69 6.866 -5.282 -11.632 1.00 0.00 O ATOM 802 CB VAL A 69 6.418 -6.830 -8.785 1.00 0.00 C ATOM 803 CG1 VAL A 69 4.983 -6.549 -9.305 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.434 -8.088 -7.879 1.00 0.00 C ATOM 0 H VAL A 69 8.905 -7.403 -8.524 1.00 0.00 H new ATOM 0 HA VAL A 69 7.043 -7.692 -10.674 1.00 0.00 H new ATOM 0 HB VAL A 69 6.736 -5.983 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.299 -6.469 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.976 -5.615 -9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.665 -7.365 -9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.715 -7.962 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.166 -8.965 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.432 -8.223 -7.461 1.00 0.00 H new ATOM 814 N ALA A 70 8.568 -4.781 -10.251 1.00 0.00 N ATOM 815 CA ALA A 70 8.812 -3.413 -10.774 1.00 0.00 C ATOM 816 C ALA A 70 9.506 -3.430 -12.148 1.00 0.00 C ATOM 817 O ALA A 70 9.516 -2.415 -12.850 1.00 0.00 O ATOM 818 CB ALA A 70 9.631 -2.597 -9.756 1.00 0.00 C ATOM 0 H ALA A 70 9.222 -5.059 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 70 7.842 -2.936 -10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.805 -1.595 -10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.081 -2.529 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.588 -3.089 -9.581 1.00 0.00 H new ATOM 824 N LYS A 71 10.090 -4.573 -12.530 1.00 0.00 N ATOM 825 CA LYS A 71 10.767 -4.718 -13.837 1.00 0.00 C ATOM 826 C LYS A 71 9.823 -5.318 -14.900 1.00 0.00 C ATOM 827 O LYS A 71 10.102 -5.216 -16.101 1.00 0.00 O ATOM 828 CB LYS A 71 12.060 -5.568 -13.700 1.00 0.00 C ATOM 829 CG LYS A 71 11.855 -7.091 -13.509 1.00 0.00 C ATOM 830 CD LYS A 71 13.179 -7.857 -13.304 1.00 0.00 C ATOM 831 CE LYS A 71 14.174 -7.677 -14.469 1.00 0.00 C ATOM 832 NZ LYS A 71 15.457 -8.383 -14.227 1.00 0.00 N ATOM 0 H LYS A 71 10.110 -5.416 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 71 11.049 -3.721 -14.174 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.669 -5.412 -14.590 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.632 -5.189 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.207 -7.260 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.339 -7.495 -14.380 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.647 -7.519 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.962 -8.918 -13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.724 -8.050 -15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.368 -6.615 -14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.093 -8.234 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.901 -8.010 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.277 -9.401 -14.112 1.00 0.00 H new ATOM 846 N THR A 72 8.707 -5.945 -14.460 1.00 0.00 N ATOM 847 CA THR A 72 7.809 -6.708 -15.354 1.00 0.00 C ATOM 848 C THR A 72 6.412 -6.047 -15.466 1.00 0.00 C ATOM 849 O THR A 72 5.785 -6.081 -16.530 1.00 0.00 O ATOM 850 CB THR A 72 7.681 -8.200 -14.869 1.00 0.00 C ATOM 851 OG1 THR A 72 7.019 -9.000 -15.861 1.00 0.00 O ATOM 852 CG2 THR A 72 6.919 -8.337 -13.530 1.00 0.00 C ATOM 0 H THR A 72 8.407 -5.936 -13.485 1.00 0.00 H new ATOM 0 HA THR A 72 8.254 -6.702 -16.349 1.00 0.00 H new ATOM 0 HB THR A 72 8.700 -8.553 -14.713 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.950 -9.924 -15.543 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.864 -9.389 -13.249 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.445 -7.781 -12.754 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.911 -7.938 -13.643 1.00 0.00 H new ATOM 860 N ALA A 73 5.945 -5.457 -14.356 1.00 0.00 N ATOM 861 CA ALA A 73 4.610 -4.852 -14.245 1.00 0.00 C ATOM 862 C ALA A 73 4.715 -3.335 -14.418 1.00 0.00 C ATOM 863 O ALA A 73 5.407 -2.674 -13.645 1.00 0.00 O ATOM 864 CB ALA A 73 3.983 -5.211 -12.888 1.00 0.00 C ATOM 0 H ALA A 73 6.492 -5.386 -13.498 1.00 0.00 H new ATOM 0 HA ALA A 73 3.965 -5.244 -15.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.994 -4.759 -12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.894 -6.294 -12.803 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.616 -4.835 -12.084 1.00 0.00 H new ATOM 870 N ASN A 74 4.036 -2.796 -15.441 1.00 0.00 N ATOM 871 CA ASN A 74 4.079 -1.356 -15.784 1.00 0.00 C ATOM 872 C ASN A 74 3.255 -0.520 -14.786 1.00 0.00 C ATOM 873 O ASN A 74 2.493 -1.068 -13.980 1.00 0.00 O ATOM 874 CB ASN A 74 3.584 -1.114 -17.242 1.00 0.00 C ATOM 875 CG ASN A 74 2.110 -1.479 -17.487 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.573 -2.399 -16.885 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.450 -0.754 -18.379 1.00 0.00 N ATOM 0 H ASN A 74 3.438 -3.344 -16.060 1.00 0.00 H new ATOM 0 HA ASN A 74 5.118 -1.032 -15.718 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.731 -0.063 -17.492 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.206 -1.694 -17.924 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.470 -0.958 -18.578 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.922 0.008 -18.867 1.00 0.00 H new ATOM 884 N LYS A 75 3.401 0.815 -14.877 1.00 0.00 N ATOM 885 CA LYS A 75 2.796 1.781 -13.932 1.00 0.00 C ATOM 886 C LYS A 75 1.254 1.662 -13.932 1.00 0.00 C ATOM 887 O LYS A 75 0.616 1.714 -12.876 1.00 0.00 O ATOM 888 CB LYS A 75 3.245 3.228 -14.292 1.00 0.00 C ATOM 889 CG LYS A 75 3.233 4.212 -13.100 1.00 0.00 C ATOM 890 CD LYS A 75 4.364 3.901 -12.093 1.00 0.00 C ATOM 891 CE LYS A 75 4.404 4.864 -10.902 1.00 0.00 C ATOM 892 NZ LYS A 75 4.441 6.286 -11.320 1.00 0.00 N ATOM 0 H LYS A 75 3.947 1.261 -15.614 1.00 0.00 H new ATOM 0 HA LYS A 75 3.144 1.550 -12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.252 3.191 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.592 3.615 -15.074 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.344 5.232 -13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.269 4.159 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.240 2.883 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.322 3.938 -12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.529 4.696 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.280 4.645 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.012 6.832 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.863 6.358 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.473 6.667 -11.342 1.00 0.00 H new ATOM 906 N ASP A 76 0.696 1.453 -15.132 1.00 0.00 N ATOM 907 CA ASP A 76 -0.756 1.329 -15.359 1.00 0.00 C ATOM 908 C ASP A 76 -1.330 0.084 -14.653 1.00 0.00 C ATOM 909 O ASP A 76 -2.429 0.141 -14.096 1.00 0.00 O ATOM 910 CB ASP A 76 -1.051 1.271 -16.882 1.00 0.00 C ATOM 911 CG ASP A 76 -2.551 1.172 -17.206 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.253 2.208 -17.139 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.047 0.057 -17.506 1.00 0.00 O ATOM 0 H ASP A 76 1.246 1.364 -15.987 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.243 2.206 -14.933 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.641 2.161 -17.359 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.536 0.413 -17.313 1.00 0.00 H new ATOM 918 N HIS A 77 -0.562 -1.028 -14.666 1.00 0.00 N ATOM 919 CA HIS A 77 -0.914 -2.291 -13.978 1.00 0.00 C ATOM 920 C HIS A 77 -1.069 -2.054 -12.465 1.00 0.00 C ATOM 921 O HIS A 77 -1.934 -2.645 -11.822 1.00 0.00 O ATOM 922 CB HIS A 77 0.179 -3.359 -14.268 1.00 0.00 C ATOM 923 CG HIS A 77 0.071 -4.657 -13.508 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.480 -5.797 -14.038 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.502 -4.997 -12.269 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.368 -6.779 -13.170 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.225 -6.318 -12.085 1.00 0.00 N ATOM 0 H HIS A 77 0.329 -1.075 -15.160 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.869 -2.655 -14.356 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.160 -3.585 -15.334 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.152 -2.918 -14.053 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.979 -4.340 -11.557 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.705 -7.794 -13.320 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.440 -6.860 -11.248 1.00 0.00 H new ATOM 936 N LEU A 78 -0.211 -1.186 -11.922 1.00 0.00 N ATOM 937 CA LEU A 78 -0.140 -0.916 -10.471 1.00 0.00 C ATOM 938 C LEU A 78 -1.346 -0.096 -9.998 1.00 0.00 C ATOM 939 O LEU A 78 -1.839 -0.293 -8.885 1.00 0.00 O ATOM 940 CB LEU A 78 1.184 -0.192 -10.137 1.00 0.00 C ATOM 941 CG LEU A 78 2.457 -0.835 -10.761 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.716 -0.087 -10.336 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.560 -2.340 -10.453 1.00 0.00 C ATOM 0 H LEU A 78 0.458 -0.646 -12.471 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.166 -1.868 -9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.112 0.841 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.303 -0.163 -9.054 1.00 0.00 H new ATOM 0 HG LEU A 78 2.365 -0.744 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.589 -0.559 -10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.652 0.950 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.808 -0.117 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.464 -2.744 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.601 -2.489 -9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.688 -2.855 -10.858 1.00 0.00 H new ATOM 955 N VAL A 79 -1.808 0.822 -10.867 1.00 0.00 N ATOM 956 CA VAL A 79 -3.017 1.625 -10.627 1.00 0.00 C ATOM 957 C VAL A 79 -4.266 0.723 -10.711 1.00 0.00 C ATOM 958 O VAL A 79 -5.191 0.848 -9.906 1.00 0.00 O ATOM 959 CB VAL A 79 -3.149 2.814 -11.652 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.313 3.765 -11.262 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.816 3.591 -11.788 1.00 0.00 C ATOM 0 H VAL A 79 -1.351 1.027 -11.756 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.935 2.057 -9.629 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.382 2.384 -12.626 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.379 4.576 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.250 3.208 -11.253 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.128 4.180 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.940 4.405 -12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.533 4.000 -10.818 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.036 2.916 -12.139 1.00 0.00 H new ATOM 971 N THR A 80 -4.252 -0.195 -11.699 1.00 0.00 N ATOM 972 CA THR A 80 -5.301 -1.219 -11.884 1.00 0.00 C ATOM 973 C THR A 80 -5.439 -2.083 -10.619 1.00 0.00 C ATOM 974 O THR A 80 -6.543 -2.319 -10.130 1.00 0.00 O ATOM 975 CB THR A 80 -4.975 -2.133 -13.112 1.00 0.00 C ATOM 976 OG1 THR A 80 -4.773 -1.318 -14.275 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.087 -3.161 -13.402 1.00 0.00 C ATOM 0 H THR A 80 -3.508 -0.247 -12.395 1.00 0.00 H new ATOM 0 HA THR A 80 -6.244 -0.704 -12.069 1.00 0.00 H new ATOM 0 HB THR A 80 -4.071 -2.690 -12.866 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.908 -0.863 -14.209 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.807 -3.767 -14.264 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.222 -3.806 -12.533 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.020 -2.638 -13.614 1.00 0.00 H new ATOM 985 N ALA A 81 -4.293 -2.500 -10.074 1.00 0.00 N ATOM 986 CA ALA A 81 -4.230 -3.336 -8.876 1.00 0.00 C ATOM 987 C ALA A 81 -4.742 -2.573 -7.648 1.00 0.00 C ATOM 988 O ALA A 81 -5.517 -3.108 -6.852 1.00 0.00 O ATOM 989 CB ALA A 81 -2.792 -3.809 -8.656 1.00 0.00 C ATOM 0 H ALA A 81 -3.377 -2.264 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.873 -4.204 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.747 -4.432 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.463 -4.388 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.140 -2.945 -8.529 1.00 0.00 H new ATOM 995 N TYR A 82 -4.310 -1.305 -7.542 1.00 0.00 N ATOM 996 CA TYR A 82 -4.730 -0.379 -6.484 1.00 0.00 C ATOM 997 C TYR A 82 -6.269 -0.292 -6.425 1.00 0.00 C ATOM 998 O TYR A 82 -6.864 -0.629 -5.406 1.00 0.00 O ATOM 999 CB TYR A 82 -4.059 1.002 -6.752 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.611 2.199 -5.956 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -5.723 2.914 -6.424 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.008 2.643 -4.773 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -6.212 4.007 -5.759 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.512 3.739 -4.090 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.615 4.414 -4.598 1.00 0.00 C ATOM 1006 OH TYR A 82 -6.114 5.523 -3.964 1.00 0.00 O ATOM 0 H TYR A 82 -3.650 -0.891 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.408 -0.736 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.994 0.911 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.152 1.226 -7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.207 2.594 -7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.141 2.126 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.064 4.544 -6.149 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.051 4.066 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.400 6.186 -3.854 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.901 0.067 -7.567 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.371 0.285 -7.658 1.00 0.00 C ATOM 1018 C ASN A 83 -9.145 -0.956 -7.181 1.00 0.00 C ATOM 1019 O ASN A 83 -10.013 -0.873 -6.304 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.800 0.632 -9.122 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.448 2.058 -9.595 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.207 2.665 -10.349 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.297 2.587 -9.209 1.00 0.00 N ATOM 0 H ASN A 83 -6.412 0.214 -8.450 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.613 1.126 -7.008 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.332 -0.083 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.878 0.494 -9.209 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.026 3.514 -9.537 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.681 2.068 -8.583 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.768 -2.102 -7.747 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.418 -3.397 -7.517 1.00 0.00 C ATOM 1032 C HIS A 84 -9.159 -3.946 -6.098 1.00 0.00 C ATOM 1033 O HIS A 84 -9.931 -4.784 -5.624 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.000 -4.402 -8.622 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.631 -4.096 -9.966 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.744 -4.760 -10.437 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.332 -3.175 -10.914 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.092 -4.269 -11.608 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.254 -3.304 -11.920 1.00 0.00 N ATOM 0 H HIS A 84 -7.982 -2.160 -8.395 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.496 -3.249 -7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.915 -4.391 -8.725 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.281 -5.409 -8.315 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.516 -2.468 -10.883 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.924 -4.602 -12.210 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.285 -2.743 -12.772 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.071 -3.501 -5.436 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.754 -3.930 -4.052 1.00 0.00 C ATOM 1050 C LEU A 85 -8.850 -3.478 -3.070 1.00 0.00 C ATOM 1051 O LEU A 85 -9.446 -4.289 -2.341 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.389 -3.325 -3.599 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.856 -3.781 -2.204 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.678 -5.310 -2.141 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.546 -3.045 -1.828 1.00 0.00 C ATOM 0 H LEU A 85 -7.397 -2.847 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.697 -5.018 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.639 -3.574 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.483 -2.239 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.608 -3.508 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.306 -5.593 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.637 -5.796 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.965 -5.625 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.204 -3.387 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.782 -3.258 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.729 -1.971 -1.792 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.095 -2.161 -3.092 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.034 -1.484 -2.180 1.00 0.00 C ATOM 1069 C PHE A 86 -11.499 -1.733 -2.579 1.00 0.00 C ATOM 1070 O PHE A 86 -12.385 -1.742 -1.725 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.729 0.029 -2.114 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.254 0.361 -1.881 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.649 0.222 -0.629 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.470 0.790 -2.926 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.302 0.522 -0.459 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.146 1.073 -2.749 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.560 0.945 -1.520 1.00 0.00 C ATOM 0 H PHE A 86 -8.643 -1.526 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.894 -1.910 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.052 0.494 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.321 0.473 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.232 -0.121 0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.910 0.905 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.844 0.420 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.554 1.402 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.513 1.178 -1.391 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.735 -1.949 -3.883 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.094 -2.126 -4.440 1.00 0.00 C ATOM 1089 C GLU A 87 -13.744 -3.455 -3.978 1.00 0.00 C ATOM 1090 O GLU A 87 -14.975 -3.601 -4.008 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.032 -2.034 -5.992 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.401 -2.008 -6.714 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.311 -0.842 -6.270 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -15.079 0.307 -6.707 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.259 -1.065 -5.483 1.00 0.00 O ATOM 0 H GLU A 87 -10.995 -2.006 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.729 -1.326 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.481 -1.134 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.460 -2.883 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.234 -1.939 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.917 -2.951 -6.531 1.00 0.00 H new ATOM 1102 N THR A 88 -12.919 -4.400 -3.501 1.00 0.00 N ATOM 1103 CA THR A 88 -13.374 -5.724 -3.025 1.00 0.00 C ATOM 1104 C THR A 88 -12.819 -6.051 -1.619 1.00 0.00 C ATOM 1105 O THR A 88 -13.127 -7.118 -1.071 1.00 0.00 O ATOM 1106 CB THR A 88 -12.938 -6.825 -4.041 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.565 -6.619 -4.363 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.766 -6.816 -5.342 1.00 0.00 C ATOM 0 H THR A 88 -11.910 -4.270 -3.433 1.00 0.00 H new ATOM 0 HA THR A 88 -14.461 -5.699 -2.952 1.00 0.00 H new ATOM 0 HB THR A 88 -13.104 -7.793 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.482 -5.852 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.411 -7.606 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.817 -6.985 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.656 -5.851 -5.837 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.002 -5.126 -1.060 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.417 -5.231 0.303 1.00 0.00 C ATOM 1118 C LYS A 89 -10.537 -6.505 0.455 1.00 0.00 C ATOM 1119 O LYS A 89 -10.514 -7.143 1.513 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.529 -5.171 1.400 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.510 -3.986 1.272 1.00 0.00 C ATOM 1122 CD LYS A 89 -12.830 -2.602 1.374 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.820 -1.448 1.117 1.00 0.00 C ATOM 1124 NZ LYS A 89 -13.157 -0.122 1.194 1.00 0.00 N ATOM 0 H LYS A 89 -11.726 -4.274 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.763 -4.370 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.099 -6.100 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.051 -5.123 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.028 -4.057 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.267 -4.067 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.390 -2.487 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.014 -2.546 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.273 -1.571 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.628 -1.493 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.856 0.627 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.746 0.006 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.403 -0.069 0.480 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.783 -6.833 -0.612 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.908 -8.038 -0.665 1.00 0.00 C ATOM 1140 C ARG A 90 -7.638 -7.893 0.202 1.00 0.00 C ATOM 1141 O ARG A 90 -6.889 -8.861 0.387 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.520 -8.338 -2.130 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.694 -8.807 -3.006 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.284 -8.989 -4.470 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.374 -9.555 -5.292 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.893 -8.986 -6.388 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.508 -7.764 -6.764 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.824 -9.621 -7.082 1.00 0.00 N ATOM 0 H ARG A 90 -9.758 -6.275 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.479 -8.870 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.087 -7.440 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.744 -9.104 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.081 -9.750 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.504 -8.081 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.983 -8.026 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.415 -9.644 -4.523 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.763 -10.452 -5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.814 -7.257 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.908 -7.338 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.145 -10.542 -6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.221 -9.190 -7.917 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.388 -6.673 0.673 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.327 -6.388 1.651 1.00 0.00 C ATOM 1164 C PHE A 91 -6.797 -6.698 3.074 1.00 0.00 C ATOM 1165 O PHE A 91 -8.002 -6.682 3.373 1.00 0.00 O ATOM 1166 CB PHE A 91 -5.870 -4.908 1.561 1.00 0.00 C ATOM 1167 CG PHE A 91 -6.955 -3.878 1.872 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -7.828 -3.451 0.887 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.102 -3.348 3.151 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -8.816 -2.531 1.170 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.080 -2.424 3.430 1.00 0.00 C ATOM 1172 CZ PHE A 91 -8.937 -2.015 2.438 1.00 0.00 C ATOM 0 H PHE A 91 -7.915 -5.847 0.389 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.480 -7.031 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.039 -4.757 2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.490 -4.721 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.735 -3.843 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.435 -3.669 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.496 -2.215 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.174 -2.020 4.427 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.706 -1.288 2.654 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.826 -6.951 3.939 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.033 -7.076 5.377 1.00 0.00 C ATOM 1184 C LYS A 92 -5.462 -5.805 6.038 1.00 0.00 C ATOM 1185 O LYS A 92 -6.240 -4.983 6.576 1.00 0.00 O ATOM 1186 CB LYS A 92 -5.323 -8.351 5.907 1.00 0.00 C ATOM 1187 CG LYS A 92 -5.494 -8.600 7.429 1.00 0.00 C ATOM 1188 CD LYS A 92 -4.560 -9.708 7.965 1.00 0.00 C ATOM 1189 CE LYS A 92 -3.069 -9.361 7.799 1.00 0.00 C ATOM 1190 NZ LYS A 92 -2.195 -10.498 8.166 1.00 0.00 N ATOM 1191 OXT LYS A 92 -4.225 -5.611 5.971 1.00 0.00 O ATOM 0 H LYS A 92 -4.854 -7.078 3.658 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.093 -7.173 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.706 -9.216 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.259 -8.279 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.297 -7.673 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.529 -8.874 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.774 -9.878 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.772 -10.641 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.876 -9.073 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.825 -8.500 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.199 -10.225 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.361 -10.757 9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.410 -11.312 7.556 1.00 0.00 H new