USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 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 30 THR OG1 : rot 180:sc= -0.33 USER MOD Set 1.2: A 33 GLN : amide:sc= 0.0755 K(o=-0.25,f=-2.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.524 (180deg=0.227) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0.696 (180deg=0.675) USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= 1.07 (180deg=-0.0775) USER MOD Single : A 49 GLN : amide:sc= 0.0278 K(o=0.028,f=-1.4) USER MOD Single : A 51 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-4.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.0464 K(o=0.046,f=-2.7) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0426) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.475 K(o=-0.48,f=-2.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -21:sc= 0.127 USER MOD Single : A 74 ASN :FLIP amide:sc= -1.53 F(o=-2.3!,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -1.36 (180deg=-2.54!) USER MOD Single : A 77 HIS : no HD1:sc= 0.425 K(o=0.42,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 75:sc= 0.977 USER MOD Single : A 82 TYR OH : rot -132:sc= 0.7 USER MOD Single : A 83 ASN : amide:sc= 0.17 X(o=0.17,f=-0.083) USER MOD Single : A 84 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.09) USER MOD Single : A 88 THR OG1 : rot 164:sc= -1.01 USER MOD Single : A 89 LYS NZ :NH3+ -174:sc=-0.00494 (180deg=-0.0778) USER MOD Single : A 92 LYS NZ :NH3+ 124:sc= 1.22 (180deg=0.0674) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -6.037 4.485 1.061 1.00 0.00 N ATOM 96 CA ARG A 27 -5.157 4.938 -0.028 1.00 0.00 C ATOM 97 C ARG A 27 -4.083 5.921 0.495 1.00 0.00 C ATOM 98 O ARG A 27 -4.390 6.911 1.173 1.00 0.00 O ATOM 99 CB ARG A 27 -5.959 5.578 -1.197 1.00 0.00 C ATOM 100 CG ARG A 27 -6.634 6.942 -0.915 1.00 0.00 C ATOM 101 CD ARG A 27 -7.798 6.847 0.082 1.00 0.00 C ATOM 102 NE ARG A 27 -8.414 8.145 0.389 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.549 8.303 1.088 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.198 7.252 1.591 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.029 9.520 1.278 1.00 0.00 N ATOM 0 HA ARG A 27 -4.655 4.053 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.285 5.701 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.732 4.874 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.888 7.636 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.001 7.359 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.559 6.179 -0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.438 6.397 1.007 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.947 8.985 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.833 6.310 1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.059 7.390 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.538 10.328 0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.891 9.651 1.808 1.00 0.00 H new ATOM 119 N ALA A 28 -2.830 5.587 0.219 1.00 0.00 N ATOM 120 CA ALA A 28 -1.668 6.425 0.561 1.00 0.00 C ATOM 121 C ALA A 28 -1.505 7.508 -0.516 1.00 0.00 C ATOM 122 O ALA A 28 -1.020 8.616 -0.255 1.00 0.00 O ATOM 123 CB ALA A 28 -0.398 5.563 0.657 1.00 0.00 C ATOM 0 H ALA A 28 -2.579 4.719 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.827 6.897 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.453 6.196 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.530 4.806 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.216 5.076 -0.301 1.00 0.00 H new ATOM 129 N TRP A 29 -1.934 7.139 -1.732 1.00 0.00 N ATOM 130 CA TRP A 29 -1.843 7.956 -2.944 1.00 0.00 C ATOM 131 C TRP A 29 -3.180 7.895 -3.686 1.00 0.00 C ATOM 132 O TRP A 29 -3.856 6.867 -3.651 1.00 0.00 O ATOM 133 CB TRP A 29 -0.721 7.409 -3.863 1.00 0.00 C ATOM 134 CG TRP A 29 0.612 7.274 -3.178 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.387 8.280 -2.682 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.324 6.056 -2.900 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.532 7.770 -2.135 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.518 6.410 -2.256 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.059 4.708 -3.144 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.449 5.465 -1.842 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.985 3.769 -2.735 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.172 4.153 -2.097 1.00 0.00 C ATOM 0 H TRP A 29 -2.368 6.232 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.613 8.986 -2.673 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.022 6.435 -4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.612 8.071 -4.722 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.133 9.329 -2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.277 8.318 -1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.150 4.406 -3.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.358 5.758 -1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.791 2.721 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.882 3.395 -1.801 1.00 0.00 H new ATOM 153 N THR A 30 -3.547 8.999 -4.343 1.00 0.00 N ATOM 154 CA THR A 30 -4.690 9.047 -5.269 1.00 0.00 C ATOM 155 C THR A 30 -4.218 8.616 -6.669 1.00 0.00 C ATOM 156 O THR A 30 -3.016 8.420 -6.878 1.00 0.00 O ATOM 157 CB THR A 30 -5.296 10.484 -5.317 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.237 11.430 -5.521 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.066 10.835 -4.031 1.00 0.00 C ATOM 0 H THR A 30 -3.060 9.890 -4.249 1.00 0.00 H new ATOM 0 HA THR A 30 -5.467 8.367 -4.921 1.00 0.00 H new ATOM 0 HB THR A 30 -6.009 10.522 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.609 12.336 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.469 11.845 -4.112 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.884 10.128 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.391 10.781 -3.177 1.00 0.00 H new ATOM 167 N VAL A 31 -5.154 8.505 -7.636 1.00 0.00 N ATOM 168 CA VAL A 31 -4.841 8.019 -9.002 1.00 0.00 C ATOM 169 C VAL A 31 -3.834 8.958 -9.718 1.00 0.00 C ATOM 170 O VAL A 31 -3.009 8.500 -10.519 1.00 0.00 O ATOM 171 CB VAL A 31 -6.146 7.802 -9.873 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.925 9.115 -10.135 1.00 0.00 C ATOM 173 CG2 VAL A 31 -5.831 7.063 -11.203 1.00 0.00 C ATOM 0 H VAL A 31 -6.136 8.745 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.368 7.043 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.801 7.165 -9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.808 8.900 -10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.231 9.552 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.285 9.818 -10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.751 6.932 -11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.122 7.651 -11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.399 6.087 -10.983 1.00 0.00 H new ATOM 183 N GLU A 32 -3.908 10.270 -9.394 1.00 0.00 N ATOM 184 CA GLU A 32 -2.988 11.305 -9.917 1.00 0.00 C ATOM 185 C GLU A 32 -1.569 11.168 -9.317 1.00 0.00 C ATOM 186 O GLU A 32 -0.572 11.363 -10.030 1.00 0.00 O ATOM 187 CB GLU A 32 -3.564 12.723 -9.649 1.00 0.00 C ATOM 188 CG GLU A 32 -3.772 13.059 -8.166 1.00 0.00 C ATOM 189 CD GLU A 32 -4.366 14.453 -7.937 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.601 14.614 -8.036 1.00 0.00 O ATOM 191 OE2 GLU A 32 -3.599 15.407 -7.684 1.00 0.00 O ATOM 0 H GLU A 32 -4.613 10.642 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.900 11.158 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.892 13.462 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.519 12.817 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.431 12.313 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.816 12.990 -7.647 1.00 0.00 H new ATOM 198 N GLN A 33 -1.481 10.833 -8.012 1.00 0.00 N ATOM 199 CA GLN A 33 -0.193 10.588 -7.331 1.00 0.00 C ATOM 200 C GLN A 33 0.456 9.289 -7.851 1.00 0.00 C ATOM 201 O GLN A 33 1.668 9.238 -8.036 1.00 0.00 O ATOM 202 CB GLN A 33 -0.381 10.517 -5.792 1.00 0.00 C ATOM 203 CG GLN A 33 -0.832 11.830 -5.142 1.00 0.00 C ATOM 204 CD GLN A 33 -0.944 11.732 -3.620 1.00 0.00 C ATOM 205 OE1 GLN A 33 -2.004 11.406 -3.079 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.156 11.983 -2.923 1.00 0.00 N ATOM 0 H GLN A 33 -2.294 10.726 -7.406 1.00 0.00 H new ATOM 0 HA GLN A 33 0.469 11.424 -7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.115 9.744 -5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.560 10.207 -5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.125 12.619 -5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.798 12.121 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.015 12.250 -3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.143 11.909 -1.906 1.00 0.00 H new ATOM 215 N LEU A 34 -0.378 8.268 -8.110 1.00 0.00 N ATOM 216 CA LEU A 34 0.077 6.943 -8.588 1.00 0.00 C ATOM 217 C LEU A 34 0.738 7.049 -9.961 1.00 0.00 C ATOM 218 O LEU A 34 1.853 6.573 -10.156 1.00 0.00 O ATOM 219 CB LEU A 34 -1.106 5.960 -8.682 1.00 0.00 C ATOM 220 CG LEU A 34 -1.753 5.528 -7.343 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.067 4.793 -7.618 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.786 4.663 -6.496 1.00 0.00 C ATOM 0 H LEU A 34 -1.389 8.334 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 34 0.805 6.573 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.878 6.414 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.765 5.064 -9.201 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.969 6.422 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.519 4.491 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.749 5.455 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.870 3.909 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.274 4.378 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.517 3.766 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.115 5.235 -6.274 1.00 0.00 H new ATOM 234 N ARG A 35 0.020 7.711 -10.897 1.00 0.00 N ATOM 235 CA ARG A 35 0.445 7.847 -12.307 1.00 0.00 C ATOM 236 C ARG A 35 1.675 8.785 -12.442 1.00 0.00 C ATOM 237 O ARG A 35 2.300 8.843 -13.508 1.00 0.00 O ATOM 238 CB ARG A 35 -0.734 8.349 -13.188 1.00 0.00 C ATOM 239 CG ARG A 35 -1.174 9.796 -12.893 1.00 0.00 C ATOM 240 CD ARG A 35 -2.326 10.287 -13.784 1.00 0.00 C ATOM 241 NE ARG A 35 -3.585 9.564 -13.547 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.720 9.757 -14.249 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.754 10.610 -15.271 1.00 0.00 N ATOM 244 NH2 ARG A 35 -5.805 9.077 -13.936 1.00 0.00 N ATOM 0 H ARG A 35 -0.870 8.166 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 35 0.744 6.861 -12.661 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.446 8.276 -14.237 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.587 7.686 -13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.478 9.868 -11.849 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.319 10.460 -13.022 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.486 11.351 -13.608 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.041 10.176 -14.830 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.600 8.869 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.914 11.127 -15.532 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.620 10.746 -15.793 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.783 8.409 -13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.666 9.219 -14.464 1.00 0.00 H new ATOM 258 N SER A 36 1.996 9.527 -11.362 1.00 0.00 N ATOM 259 CA SER A 36 3.206 10.361 -11.283 1.00 0.00 C ATOM 260 C SER A 36 4.449 9.459 -11.367 1.00 0.00 C ATOM 261 O SER A 36 4.640 8.577 -10.519 1.00 0.00 O ATOM 262 CB SER A 36 3.201 11.170 -9.965 1.00 0.00 C ATOM 263 OG SER A 36 4.315 12.042 -9.852 1.00 0.00 O ATOM 0 H SER A 36 1.420 9.563 -10.521 1.00 0.00 H new ATOM 0 HA SER A 36 3.225 11.065 -12.115 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.282 11.752 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.198 10.481 -9.121 1.00 0.00 H new ATOM 0 HG SER A 36 4.264 12.530 -9.004 1.00 0.00 H new ATOM 269 N GLU A 37 5.268 9.669 -12.415 1.00 0.00 N ATOM 270 CA GLU A 37 6.462 8.855 -12.684 1.00 0.00 C ATOM 271 C GLU A 37 7.521 9.004 -11.565 1.00 0.00 C ATOM 272 O GLU A 37 8.281 8.062 -11.292 1.00 0.00 O ATOM 273 CB GLU A 37 7.065 9.224 -14.066 1.00 0.00 C ATOM 274 CG GLU A 37 7.579 10.673 -14.204 1.00 0.00 C ATOM 275 CD GLU A 37 8.221 10.947 -15.575 1.00 0.00 C ATOM 276 OE1 GLU A 37 9.332 10.428 -15.826 1.00 0.00 O ATOM 277 OE2 GLU A 37 7.628 11.670 -16.406 1.00 0.00 O ATOM 0 H GLU A 37 5.117 10.411 -13.099 1.00 0.00 H new ATOM 0 HA GLU A 37 6.155 7.809 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.890 8.543 -14.276 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.307 9.052 -14.831 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.750 11.364 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.309 10.872 -13.419 1.00 0.00 H new ATOM 284 N GLN A 38 7.547 10.197 -10.927 1.00 0.00 N ATOM 285 CA GLN A 38 8.491 10.522 -9.829 1.00 0.00 C ATOM 286 C GLN A 38 8.207 9.680 -8.569 1.00 0.00 C ATOM 287 O GLN A 38 9.070 9.577 -7.689 1.00 0.00 O ATOM 288 CB GLN A 38 8.438 12.037 -9.489 1.00 0.00 C ATOM 289 CG GLN A 38 8.864 12.971 -10.639 1.00 0.00 C ATOM 290 CD GLN A 38 8.713 14.457 -10.295 1.00 0.00 C ATOM 291 OE1 GLN A 38 8.847 14.861 -9.138 1.00 0.00 O ATOM 292 NE2 GLN A 38 8.413 15.273 -11.287 1.00 0.00 N ATOM 0 H GLN A 38 6.914 10.963 -11.158 1.00 0.00 H new ATOM 0 HA GLN A 38 9.494 10.275 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.422 12.293 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.081 12.225 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.903 12.768 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.266 12.746 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.309 14.908 -12.234 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.285 16.269 -11.107 1.00 0.00 H new ATOM 301 N LEU A 39 6.988 9.109 -8.475 1.00 0.00 N ATOM 302 CA LEU A 39 6.649 8.125 -7.433 1.00 0.00 C ATOM 303 C LEU A 39 7.247 6.771 -7.897 1.00 0.00 C ATOM 304 O LEU A 39 6.834 6.261 -8.947 1.00 0.00 O ATOM 305 CB LEU A 39 5.093 8.024 -7.252 1.00 0.00 C ATOM 306 CG LEU A 39 4.545 7.511 -5.862 1.00 0.00 C ATOM 307 CD1 LEU A 39 3.013 7.419 -5.889 1.00 0.00 C ATOM 308 CD2 LEU A 39 5.156 6.166 -5.388 1.00 0.00 C ATOM 0 H LEU A 39 6.220 9.316 -9.114 1.00 0.00 H new ATOM 0 HA LEU A 39 7.057 8.417 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.670 9.012 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.708 7.363 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 39 4.863 8.255 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.653 7.064 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.593 8.404 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.704 6.724 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.724 5.889 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.938 5.389 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.236 6.274 -5.283 1.00 0.00 H new ATOM 320 N PRO A 40 8.235 6.178 -7.142 1.00 0.00 N ATOM 321 CA PRO A 40 8.816 4.853 -7.478 1.00 0.00 C ATOM 322 C PRO A 40 7.731 3.747 -7.517 1.00 0.00 C ATOM 323 O PRO A 40 7.031 3.501 -6.530 1.00 0.00 O ATOM 324 CB PRO A 40 9.875 4.603 -6.361 1.00 0.00 C ATOM 325 CG PRO A 40 9.514 5.555 -5.261 1.00 0.00 C ATOM 326 CD PRO A 40 8.874 6.751 -5.934 1.00 0.00 C ATOM 0 HA PRO A 40 9.263 4.833 -8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.846 3.570 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.885 4.788 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.826 5.091 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.398 5.852 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.142 7.231 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.615 7.507 -6.194 1.00 0.00 H new ATOM 334 N LYS A 41 7.603 3.123 -8.700 1.00 0.00 N ATOM 335 CA LYS A 41 6.612 2.065 -9.000 1.00 0.00 C ATOM 336 C LYS A 41 6.715 0.863 -8.037 1.00 0.00 C ATOM 337 O LYS A 41 5.705 0.228 -7.731 1.00 0.00 O ATOM 338 CB LYS A 41 6.806 1.594 -10.468 1.00 0.00 C ATOM 339 CG LYS A 41 8.221 1.055 -10.778 1.00 0.00 C ATOM 340 CD LYS A 41 8.435 0.690 -12.260 1.00 0.00 C ATOM 341 CE LYS A 41 9.894 0.317 -12.566 1.00 0.00 C ATOM 342 NZ LYS A 41 10.094 0.005 -14.004 1.00 0.00 N ATOM 0 H LYS A 41 8.199 3.343 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 41 5.617 2.489 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.076 0.815 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.592 2.428 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.957 1.805 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.406 0.173 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.786 -0.146 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.139 1.532 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.548 1.141 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.183 -0.544 -11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.088 0.173 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.855 -0.992 -14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.480 0.615 -14.580 1.00 0.00 H new ATOM 356 N LYS A 42 7.936 0.592 -7.539 1.00 0.00 N ATOM 357 CA LYS A 42 8.206 -0.523 -6.619 1.00 0.00 C ATOM 358 C LYS A 42 7.609 -0.239 -5.223 1.00 0.00 C ATOM 359 O LYS A 42 7.188 -1.162 -4.529 1.00 0.00 O ATOM 360 CB LYS A 42 9.735 -0.806 -6.535 1.00 0.00 C ATOM 361 CG LYS A 42 10.583 0.365 -6.005 1.00 0.00 C ATOM 362 CD LYS A 42 12.091 0.038 -5.960 1.00 0.00 C ATOM 363 CE LYS A 42 12.937 1.251 -5.552 1.00 0.00 C ATOM 364 NZ LYS A 42 12.525 1.812 -4.237 1.00 0.00 N ATOM 0 H LYS A 42 8.764 1.143 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 42 7.721 -1.418 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.895 -1.671 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.095 -1.076 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.424 1.238 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.243 0.630 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.263 -0.776 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.414 -0.314 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.987 0.960 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.852 2.023 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.168 2.586 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.553 2.177 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.566 1.066 -3.513 1.00 0.00 H new ATOM 378 N ASP A 43 7.567 1.044 -4.827 1.00 0.00 N ATOM 379 CA ASP A 43 6.978 1.471 -3.541 1.00 0.00 C ATOM 380 C ASP A 43 5.447 1.384 -3.587 1.00 0.00 C ATOM 381 O ASP A 43 4.802 1.218 -2.545 1.00 0.00 O ATOM 382 CB ASP A 43 7.457 2.889 -3.152 1.00 0.00 C ATOM 383 CG ASP A 43 8.945 2.921 -2.723 1.00 0.00 C ATOM 384 OD1 ASP A 43 9.821 2.611 -3.555 1.00 0.00 O ATOM 385 OD2 ASP A 43 9.239 3.236 -1.550 1.00 0.00 O ATOM 0 H ASP A 43 7.938 1.813 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 43 7.324 0.788 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.312 3.561 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.840 3.265 -2.336 1.00 0.00 H new ATOM 390 N ILE A 44 4.868 1.488 -4.805 1.00 0.00 N ATOM 391 CA ILE A 44 3.428 1.245 -5.030 1.00 0.00 C ATOM 392 C ILE A 44 3.121 -0.253 -4.802 1.00 0.00 C ATOM 393 O ILE A 44 2.223 -0.596 -4.029 1.00 0.00 O ATOM 394 CB ILE A 44 2.966 1.682 -6.472 1.00 0.00 C ATOM 395 CG1 ILE A 44 3.311 3.188 -6.730 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.449 1.412 -6.689 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.945 3.708 -8.114 1.00 0.00 C ATOM 0 H ILE A 44 5.381 1.740 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 44 2.870 1.854 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 44 3.513 1.077 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.798 3.795 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.381 3.331 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.164 1.725 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.248 0.347 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.871 1.974 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.223 4.759 -8.193 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.478 3.133 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.871 3.605 -8.269 1.00 0.00 H new ATOM 409 N ILE A 45 3.912 -1.130 -5.469 1.00 0.00 N ATOM 410 CA ILE A 45 3.828 -2.612 -5.310 1.00 0.00 C ATOM 411 C ILE A 45 3.960 -3.003 -3.819 1.00 0.00 C ATOM 412 O ILE A 45 3.228 -3.859 -3.309 1.00 0.00 O ATOM 413 CB ILE A 45 4.988 -3.334 -6.106 1.00 0.00 C ATOM 414 CG1 ILE A 45 5.001 -2.921 -7.605 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.919 -4.879 -5.968 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.223 -3.390 -8.388 1.00 0.00 C ATOM 0 H ILE A 45 4.627 -0.834 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 45 2.860 -2.925 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 45 5.923 -3.003 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.106 -3.318 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.942 -1.834 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.735 -5.331 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.007 -5.155 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.966 -5.237 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.143 -3.055 -9.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.125 -2.972 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.276 -4.478 -8.362 1.00 0.00 H new ATOM 428 N LYS A 46 4.900 -2.322 -3.139 1.00 0.00 N ATOM 429 CA LYS A 46 5.235 -2.546 -1.725 1.00 0.00 C ATOM 430 C LYS A 46 4.039 -2.225 -0.805 1.00 0.00 C ATOM 431 O LYS A 46 3.770 -2.953 0.155 1.00 0.00 O ATOM 432 CB LYS A 46 6.460 -1.676 -1.350 1.00 0.00 C ATOM 433 CG LYS A 46 6.982 -1.847 0.094 1.00 0.00 C ATOM 434 CD LYS A 46 8.103 -0.843 0.445 1.00 0.00 C ATOM 435 CE LYS A 46 7.646 0.624 0.329 1.00 0.00 C ATOM 436 NZ LYS A 46 8.710 1.580 0.726 1.00 0.00 N ATOM 0 H LYS A 46 5.459 -1.585 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 46 5.477 -3.599 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.272 -1.906 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.199 -0.629 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.155 -1.721 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.356 -2.863 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.449 -1.032 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.953 -1.008 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.343 0.827 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.769 0.779 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.385 2.143 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.568 1.055 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.923 2.213 -0.071 1.00 0.00 H new ATOM 450 N PHE A 47 3.340 -1.119 -1.118 1.00 0.00 N ATOM 451 CA PHE A 47 2.142 -0.694 -0.362 1.00 0.00 C ATOM 452 C PHE A 47 0.993 -1.706 -0.533 1.00 0.00 C ATOM 453 O PHE A 47 0.368 -2.131 0.445 1.00 0.00 O ATOM 454 CB PHE A 47 1.679 0.722 -0.821 1.00 0.00 C ATOM 455 CG PHE A 47 0.417 1.230 -0.111 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.346 1.210 1.270 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.699 1.688 -0.821 1.00 0.00 C ATOM 458 CE1 PHE A 47 -0.788 1.632 1.940 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.843 2.107 -0.150 1.00 0.00 C ATOM 460 CZ PHE A 47 -1.880 2.077 1.235 1.00 0.00 C ATOM 0 H PHE A 47 3.583 -0.500 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 47 2.410 -0.653 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.489 1.431 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.495 0.702 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.194 0.857 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.671 1.716 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.815 1.612 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.700 2.455 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.766 2.403 1.759 1.00 0.00 H new ATOM 470 N LEU A 48 0.746 -2.089 -1.783 1.00 0.00 N ATOM 471 CA LEU A 48 -0.382 -2.951 -2.169 1.00 0.00 C ATOM 472 C LEU A 48 -0.193 -4.399 -1.681 1.00 0.00 C ATOM 473 O LEU A 48 -1.175 -5.079 -1.394 1.00 0.00 O ATOM 474 CB LEU A 48 -0.596 -2.873 -3.696 1.00 0.00 C ATOM 475 CG LEU A 48 -0.855 -1.435 -4.255 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.991 -1.454 -5.795 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.074 -0.768 -3.571 1.00 0.00 C ATOM 0 H LEU A 48 1.329 -1.809 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.284 -2.586 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.282 -3.287 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.441 -3.508 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 48 0.013 -0.822 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.171 -0.442 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.072 -1.840 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.826 -2.094 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.223 0.229 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.965 -1.371 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.893 -0.692 -2.499 1.00 0.00 H new ATOM 489 N GLN A 49 1.076 -4.850 -1.569 1.00 0.00 N ATOM 490 CA GLN A 49 1.387 -6.189 -1.010 1.00 0.00 C ATOM 491 C GLN A 49 1.330 -6.157 0.532 1.00 0.00 C ATOM 492 O GLN A 49 1.075 -7.182 1.162 1.00 0.00 O ATOM 493 CB GLN A 49 2.768 -6.745 -1.493 1.00 0.00 C ATOM 494 CG GLN A 49 4.005 -6.078 -0.862 1.00 0.00 C ATOM 495 CD GLN A 49 5.336 -6.783 -1.157 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.229 -6.791 -0.315 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.508 -7.320 -2.356 1.00 0.00 N ATOM 0 H GLN A 49 1.896 -4.314 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 49 0.624 -6.870 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.805 -7.814 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.828 -6.632 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.068 -5.050 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.865 -6.033 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.749 -7.300 -3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.399 -7.754 -2.598 1.00 0.00 H new ATOM 506 N GLU A 50 1.577 -4.964 1.121 1.00 0.00 N ATOM 507 CA GLU A 50 1.620 -4.765 2.589 1.00 0.00 C ATOM 508 C GLU A 50 0.235 -4.985 3.245 1.00 0.00 C ATOM 509 O GLU A 50 0.147 -5.364 4.422 1.00 0.00 O ATOM 510 CB GLU A 50 2.165 -3.340 2.908 1.00 0.00 C ATOM 511 CG GLU A 50 2.365 -3.018 4.405 1.00 0.00 C ATOM 512 CD GLU A 50 2.959 -1.617 4.657 1.00 0.00 C ATOM 513 OE1 GLU A 50 2.198 -0.625 4.634 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.189 -1.495 4.863 1.00 0.00 O ATOM 0 H GLU A 50 1.752 -4.110 0.591 1.00 0.00 H new ATOM 0 HA GLU A 50 2.292 -5.512 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.120 -3.214 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.479 -2.606 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.406 -3.095 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.022 -3.768 4.845 1.00 0.00 H new ATOM 521 N HIS A 51 -0.851 -4.759 2.471 1.00 0.00 N ATOM 522 CA HIS A 51 -2.236 -4.926 2.982 1.00 0.00 C ATOM 523 C HIS A 51 -3.094 -5.857 2.101 1.00 0.00 C ATOM 524 O HIS A 51 -4.142 -6.304 2.546 1.00 0.00 O ATOM 525 CB HIS A 51 -2.927 -3.549 3.165 1.00 0.00 C ATOM 526 CG HIS A 51 -3.188 -2.766 1.903 1.00 0.00 C ATOM 527 ND1 HIS A 51 -2.281 -1.890 1.356 1.00 0.00 N ATOM 528 CD2 HIS A 51 -4.284 -2.699 1.113 1.00 0.00 C ATOM 529 CE1 HIS A 51 -2.808 -1.318 0.292 1.00 0.00 C ATOM 530 NE2 HIS A 51 -4.022 -1.789 0.121 1.00 0.00 N ATOM 0 H HIS A 51 -0.799 -4.462 1.496 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.151 -5.410 3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.878 -3.707 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.310 -2.940 3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.344 -1.710 1.718 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.198 -3.260 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.323 -0.584 -0.335 1.00 0.00 H new ATOM 539 N GLY A 52 -2.669 -6.118 0.855 1.00 0.00 N ATOM 540 CA GLY A 52 -3.372 -7.056 -0.035 1.00 0.00 C ATOM 541 C GLY A 52 -3.171 -8.515 0.373 1.00 0.00 C ATOM 542 O GLY A 52 -2.081 -8.888 0.825 1.00 0.00 O ATOM 0 H GLY A 52 -1.840 -5.692 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.437 -6.825 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.019 -6.916 -1.057 1.00 0.00 H new ATOM 546 N SER A 53 -4.229 -9.339 0.222 1.00 0.00 N ATOM 547 CA SER A 53 -4.173 -10.789 0.512 1.00 0.00 C ATOM 548 C SER A 53 -3.434 -11.532 -0.620 1.00 0.00 C ATOM 549 O SER A 53 -3.441 -11.076 -1.760 1.00 0.00 O ATOM 550 CB SER A 53 -5.602 -11.353 0.705 1.00 0.00 C ATOM 551 OG SER A 53 -5.567 -12.724 1.075 1.00 0.00 O ATOM 0 H SER A 53 -5.142 -9.021 -0.103 1.00 0.00 H new ATOM 0 HA SER A 53 -3.619 -10.943 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.122 -10.780 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.169 -11.237 -0.218 1.00 0.00 H new ATOM 0 HG SER A 53 -6.482 -13.055 1.192 1.00 0.00 H new ATOM 557 N ASP A 54 -2.856 -12.707 -0.289 1.00 0.00 N ATOM 558 CA ASP A 54 -1.935 -13.449 -1.198 1.00 0.00 C ATOM 559 C ASP A 54 -2.632 -13.920 -2.485 1.00 0.00 C ATOM 560 O ASP A 54 -1.998 -13.992 -3.544 1.00 0.00 O ATOM 561 CB ASP A 54 -1.306 -14.673 -0.481 1.00 0.00 C ATOM 562 CG ASP A 54 -0.434 -14.280 0.724 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.731 -13.869 0.524 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.910 -14.375 1.875 1.00 0.00 O ATOM 0 H ASP A 54 -3.008 -13.171 0.607 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.151 -12.744 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.101 -15.339 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.701 -15.233 -1.194 1.00 0.00 H new ATOM 569 N SER A 55 -3.936 -14.226 -2.376 1.00 0.00 N ATOM 570 CA SER A 55 -4.755 -14.684 -3.513 1.00 0.00 C ATOM 571 C SER A 55 -4.994 -13.536 -4.516 1.00 0.00 C ATOM 572 O SER A 55 -5.176 -13.778 -5.704 1.00 0.00 O ATOM 573 CB SER A 55 -6.102 -15.253 -3.004 1.00 0.00 C ATOM 574 OG SER A 55 -6.864 -15.809 -4.061 1.00 0.00 O ATOM 0 H SER A 55 -4.452 -14.163 -1.499 1.00 0.00 H new ATOM 0 HA SER A 55 -4.214 -15.476 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.914 -16.017 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.673 -14.461 -2.520 1.00 0.00 H new ATOM 0 HG SER A 55 -7.707 -16.161 -3.707 1.00 0.00 H new ATOM 580 N PHE A 56 -4.992 -12.290 -4.010 1.00 0.00 N ATOM 581 CA PHE A 56 -4.993 -11.082 -4.853 1.00 0.00 C ATOM 582 C PHE A 56 -3.589 -10.875 -5.463 1.00 0.00 C ATOM 583 O PHE A 56 -3.446 -10.673 -6.678 1.00 0.00 O ATOM 584 CB PHE A 56 -5.412 -9.836 -4.010 1.00 0.00 C ATOM 585 CG PHE A 56 -5.267 -8.509 -4.750 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.208 -8.114 -5.693 1.00 0.00 C ATOM 587 CD2 PHE A 56 -4.169 -7.672 -4.529 1.00 0.00 C ATOM 588 CE1 PHE A 56 -6.063 -6.935 -6.387 1.00 0.00 C ATOM 589 CE2 PHE A 56 -4.028 -6.492 -5.224 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.975 -6.131 -6.153 1.00 0.00 C ATOM 0 H PHE A 56 -4.990 -12.093 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.715 -11.208 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.449 -9.954 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.807 -9.803 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.066 -8.742 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.421 -7.955 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.805 -6.642 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.177 -5.853 -5.040 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.862 -5.208 -6.703 1.00 0.00 H new ATOM 600 N LEU A 57 -2.564 -10.949 -4.584 1.00 0.00 N ATOM 601 CA LEU A 57 -1.177 -10.572 -4.918 1.00 0.00 C ATOM 602 C LEU A 57 -0.616 -11.418 -6.071 1.00 0.00 C ATOM 603 O LEU A 57 -0.049 -10.872 -6.994 1.00 0.00 O ATOM 604 CB LEU A 57 -0.252 -10.679 -3.678 1.00 0.00 C ATOM 605 CG LEU A 57 -0.616 -9.773 -2.467 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.418 -9.927 -1.330 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.805 -8.299 -2.896 1.00 0.00 C ATOM 0 H LEU A 57 -2.678 -11.272 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.203 -9.533 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.250 -11.716 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.766 -10.442 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.577 -10.106 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.140 -9.283 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.440 -10.964 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.405 -9.643 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.058 -7.696 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.119 -7.927 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.609 -8.234 -3.629 1.00 0.00 H new ATOM 619 N ALA A 58 -0.806 -12.740 -6.007 1.00 0.00 N ATOM 620 CA ALA A 58 -0.279 -13.696 -7.008 1.00 0.00 C ATOM 621 C ALA A 58 -0.913 -13.476 -8.395 1.00 0.00 C ATOM 622 O ALA A 58 -0.205 -13.448 -9.412 1.00 0.00 O ATOM 623 CB ALA A 58 -0.492 -15.136 -6.517 1.00 0.00 C ATOM 0 H ALA A 58 -1.332 -13.188 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 58 0.791 -13.520 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.102 -15.834 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.032 -15.279 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.557 -15.317 -6.372 1.00 0.00 H new ATOM 629 N GLU A 59 -2.247 -13.295 -8.419 1.00 0.00 N ATOM 630 CA GLU A 59 -3.006 -13.015 -9.662 1.00 0.00 C ATOM 631 C GLU A 59 -2.568 -11.684 -10.329 1.00 0.00 C ATOM 632 O GLU A 59 -2.795 -11.482 -11.520 1.00 0.00 O ATOM 633 CB GLU A 59 -4.528 -12.972 -9.354 1.00 0.00 C ATOM 634 CG GLU A 59 -5.110 -14.281 -8.781 1.00 0.00 C ATOM 635 CD GLU A 59 -5.007 -15.477 -9.742 1.00 0.00 C ATOM 636 OE1 GLU A 59 -5.888 -15.630 -10.614 1.00 0.00 O ATOM 637 OE2 GLU A 59 -4.049 -16.279 -9.633 1.00 0.00 O ATOM 0 H GLU A 59 -2.831 -13.338 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.791 -13.821 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.718 -12.166 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.063 -12.724 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.589 -14.525 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.157 -14.121 -8.525 1.00 0.00 H new ATOM 644 N HIS A 60 -1.954 -10.774 -9.544 1.00 0.00 N ATOM 645 CA HIS A 60 -1.458 -9.461 -10.038 1.00 0.00 C ATOM 646 C HIS A 60 0.089 -9.385 -9.964 1.00 0.00 C ATOM 647 O HIS A 60 0.689 -8.355 -10.294 1.00 0.00 O ATOM 648 CB HIS A 60 -2.121 -8.317 -9.208 1.00 0.00 C ATOM 649 CG HIS A 60 -3.628 -8.275 -9.335 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.434 -9.323 -8.949 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.462 -7.331 -9.827 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.689 -9.030 -9.200 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.736 -7.827 -9.731 1.00 0.00 N ATOM 0 H HIS A 60 -1.786 -10.924 -8.549 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.734 -9.345 -11.086 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.856 -8.440 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.710 -7.360 -9.530 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.106 -10.194 -8.532 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.177 -6.367 -10.222 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.538 -9.668 -9.004 1.00 0.00 H new ATOM 662 N LYS A 61 0.702 -10.498 -9.502 1.00 0.00 N ATOM 663 CA LYS A 61 2.166 -10.669 -9.338 1.00 0.00 C ATOM 664 C LYS A 61 2.818 -9.605 -8.423 1.00 0.00 C ATOM 665 O LYS A 61 4.016 -9.394 -8.504 1.00 0.00 O ATOM 666 CB LYS A 61 2.875 -10.757 -10.726 1.00 0.00 C ATOM 667 CG LYS A 61 2.551 -12.047 -11.515 1.00 0.00 C ATOM 668 CD LYS A 61 3.413 -12.210 -12.789 1.00 0.00 C ATOM 669 CE LYS A 61 3.138 -11.133 -13.852 1.00 0.00 C ATOM 670 NZ LYS A 61 1.746 -11.200 -14.376 1.00 0.00 N ATOM 0 H LYS A 61 0.177 -11.328 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 61 2.308 -11.617 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.586 -9.894 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.953 -10.695 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.703 -12.910 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.497 -12.040 -11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.467 -12.177 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.227 -13.193 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.315 -10.147 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.841 -11.252 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.642 -10.537 -15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.544 -12.166 -14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.078 -10.944 -13.621 1.00 0.00 H new ATOM 684 N LEU A 62 2.036 -9.023 -7.497 1.00 0.00 N ATOM 685 CA LEU A 62 2.521 -7.972 -6.580 1.00 0.00 C ATOM 686 C LEU A 62 3.390 -8.543 -5.441 1.00 0.00 C ATOM 687 O LEU A 62 4.075 -7.784 -4.763 1.00 0.00 O ATOM 688 CB LEU A 62 1.337 -7.154 -5.996 1.00 0.00 C ATOM 689 CG LEU A 62 0.481 -6.362 -7.032 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.650 -5.594 -6.331 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.355 -5.416 -7.902 1.00 0.00 C ATOM 0 H LEU A 62 1.054 -9.265 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 62 3.152 -7.308 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.680 -7.836 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.733 -6.449 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 62 0.029 -7.087 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.234 -5.049 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.296 -6.297 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.223 -4.890 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.720 -4.883 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.864 -4.698 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.094 -6.003 -8.447 1.00 0.00 H new ATOM 703 N LEU A 63 3.354 -9.877 -5.228 1.00 0.00 N ATOM 704 CA LEU A 63 4.206 -10.548 -4.222 1.00 0.00 C ATOM 705 C LEU A 63 5.590 -10.898 -4.815 1.00 0.00 C ATOM 706 O LEU A 63 5.834 -10.718 -6.017 1.00 0.00 O ATOM 707 CB LEU A 63 3.468 -11.787 -3.602 1.00 0.00 C ATOM 708 CG LEU A 63 2.827 -12.857 -4.562 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.869 -13.646 -5.380 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.900 -13.821 -3.768 1.00 0.00 C ATOM 0 H LEU A 63 2.742 -10.512 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 63 4.391 -9.857 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.180 -12.306 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.675 -11.408 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 63 2.229 -12.303 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.359 -14.366 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.446 -12.956 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.540 -14.174 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.467 -14.553 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.481 -14.337 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.102 -13.250 -3.294 1.00 0.00 H new ATOM 722 N GLY A 64 6.476 -11.417 -3.948 1.00 0.00 N ATOM 723 CA GLY A 64 7.831 -11.815 -4.347 1.00 0.00 C ATOM 724 C GLY A 64 8.804 -10.648 -4.335 1.00 0.00 C ATOM 725 O GLY A 64 8.517 -9.612 -3.716 1.00 0.00 O ATOM 0 H GLY A 64 6.273 -11.570 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.192 -12.592 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.800 -12.249 -5.347 1.00 0.00 H new ATOM 729 N ASN A 65 9.969 -10.814 -5.004 1.00 0.00 N ATOM 730 CA ASN A 65 10.966 -9.736 -5.135 1.00 0.00 C ATOM 731 C ASN A 65 10.342 -8.566 -5.895 1.00 0.00 C ATOM 732 O ASN A 65 10.077 -8.674 -7.093 1.00 0.00 O ATOM 733 CB ASN A 65 12.248 -10.228 -5.860 1.00 0.00 C ATOM 734 CG ASN A 65 13.146 -11.097 -4.974 1.00 0.00 C ATOM 735 OD1 ASN A 65 14.064 -10.594 -4.322 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.881 -12.395 -4.922 1.00 0.00 N ATOM 0 H ASN A 65 10.238 -11.686 -5.460 1.00 0.00 H new ATOM 0 HA ASN A 65 11.261 -9.414 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.962 -10.797 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.816 -9.364 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.443 -13.007 -4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.115 -12.782 -5.473 1.00 0.00 H new ATOM 743 N ILE A 66 10.109 -7.465 -5.171 1.00 0.00 N ATOM 744 CA ILE A 66 9.447 -6.264 -5.699 1.00 0.00 C ATOM 745 C ILE A 66 10.257 -5.661 -6.866 1.00 0.00 C ATOM 746 O ILE A 66 9.678 -5.192 -7.847 1.00 0.00 O ATOM 747 CB ILE A 66 9.269 -5.204 -4.556 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.436 -5.796 -3.380 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.619 -3.909 -5.078 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.311 -4.888 -2.168 1.00 0.00 C ATOM 0 H ILE A 66 10.378 -7.381 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 66 8.465 -6.548 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 66 10.263 -4.951 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.436 -6.032 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.892 -6.736 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.512 -3.199 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.248 -3.474 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.636 -4.136 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.715 -5.384 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.303 -4.671 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.825 -3.957 -2.460 1.00 0.00 H new ATOM 762 N LYS A 67 11.598 -5.681 -6.734 1.00 0.00 N ATOM 763 CA LYS A 67 12.528 -5.216 -7.784 1.00 0.00 C ATOM 764 C LYS A 67 12.339 -6.019 -9.100 1.00 0.00 C ATOM 765 O LYS A 67 12.423 -5.454 -10.200 1.00 0.00 O ATOM 766 CB LYS A 67 13.997 -5.324 -7.277 1.00 0.00 C ATOM 767 CG LYS A 67 14.457 -6.765 -6.938 1.00 0.00 C ATOM 768 CD LYS A 67 15.860 -6.816 -6.300 1.00 0.00 C ATOM 769 CE LYS A 67 16.313 -8.253 -5.981 1.00 0.00 C ATOM 770 NZ LYS A 67 17.644 -8.278 -5.321 1.00 0.00 N ATOM 0 H LYS A 67 12.068 -6.021 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 67 12.305 -4.172 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.661 -4.914 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.108 -4.703 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.738 -7.219 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.456 -7.364 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.580 -6.354 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.860 -6.227 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.577 -8.731 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.353 -8.834 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.914 -9.262 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.351 -7.845 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.599 -7.744 -4.429 1.00 0.00 H new ATOM 784 N ASN A 68 12.061 -7.333 -8.960 1.00 0.00 N ATOM 785 CA ASN A 68 11.842 -8.246 -10.102 1.00 0.00 C ATOM 786 C ASN A 68 10.482 -7.943 -10.756 1.00 0.00 C ATOM 787 O ASN A 68 10.378 -7.852 -11.976 1.00 0.00 O ATOM 788 CB ASN A 68 11.912 -9.734 -9.633 1.00 0.00 C ATOM 789 CG ASN A 68 11.972 -10.779 -10.769 1.00 0.00 C ATOM 790 OD1 ASN A 68 11.463 -10.577 -11.867 1.00 0.00 O ATOM 791 ND2 ASN A 68 12.596 -11.916 -10.499 1.00 0.00 N ATOM 0 H ASN A 68 11.982 -7.791 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 68 12.629 -8.088 -10.840 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.791 -9.858 -9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.040 -9.944 -9.013 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.660 -12.644 -11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.012 -12.063 -9.580 1.00 0.00 H new ATOM 798 N VAL A 69 9.454 -7.759 -9.907 1.00 0.00 N ATOM 799 CA VAL A 69 8.089 -7.428 -10.353 1.00 0.00 C ATOM 800 C VAL A 69 8.082 -6.091 -11.125 1.00 0.00 C ATOM 801 O VAL A 69 7.450 -5.973 -12.169 1.00 0.00 O ATOM 802 CB VAL A 69 7.089 -7.354 -9.136 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.657 -6.970 -9.599 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.091 -8.689 -8.344 1.00 0.00 C ATOM 0 H VAL A 69 9.547 -7.836 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 69 7.756 -8.225 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 69 7.432 -6.565 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.994 -6.928 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.681 -5.995 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.289 -7.717 -10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.395 -8.617 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.786 -9.503 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.094 -8.886 -7.965 1.00 0.00 H new ATOM 814 N ALA A 70 8.891 -5.131 -10.630 1.00 0.00 N ATOM 815 CA ALA A 70 8.963 -3.749 -11.150 1.00 0.00 C ATOM 816 C ALA A 70 9.463 -3.671 -12.613 1.00 0.00 C ATOM 817 O ALA A 70 9.217 -2.665 -13.282 1.00 0.00 O ATOM 818 CB ALA A 70 9.833 -2.880 -10.214 1.00 0.00 C ATOM 0 H ALA A 70 9.522 -5.297 -9.846 1.00 0.00 H new ATOM 0 HA ALA A 70 7.946 -3.358 -11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.882 -1.863 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.393 -2.866 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.839 -3.297 -10.161 1.00 0.00 H new ATOM 824 N LYS A 71 10.104 -4.748 -13.137 1.00 0.00 N ATOM 825 CA LYS A 71 10.639 -4.742 -14.527 1.00 0.00 C ATOM 826 C LYS A 71 9.497 -4.901 -15.559 1.00 0.00 C ATOM 827 O LYS A 71 9.642 -4.524 -16.728 1.00 0.00 O ATOM 828 CB LYS A 71 11.711 -5.854 -14.740 1.00 0.00 C ATOM 829 CG LYS A 71 11.155 -7.286 -14.938 1.00 0.00 C ATOM 830 CD LYS A 71 12.258 -8.363 -15.059 1.00 0.00 C ATOM 831 CE LYS A 71 13.106 -8.490 -13.778 1.00 0.00 C ATOM 832 NZ LYS A 71 14.156 -9.529 -13.896 1.00 0.00 N ATOM 0 H LYS A 71 10.262 -5.618 -12.629 1.00 0.00 H new ATOM 0 HA LYS A 71 11.121 -3.777 -14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.312 -5.593 -15.611 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.381 -5.859 -13.880 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.506 -7.535 -14.099 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.537 -7.307 -15.836 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.798 -9.325 -15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.909 -8.118 -15.898 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.572 -7.530 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.455 -8.729 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.699 -9.576 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.712 -10.452 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.795 -9.289 -14.681 1.00 0.00 H new ATOM 846 N THR A 72 8.364 -5.466 -15.102 1.00 0.00 N ATOM 847 CA THR A 72 7.178 -5.719 -15.928 1.00 0.00 C ATOM 848 C THR A 72 5.943 -5.006 -15.338 1.00 0.00 C ATOM 849 O THR A 72 4.910 -4.893 -16.016 1.00 0.00 O ATOM 850 CB THR A 72 6.921 -7.262 -16.052 1.00 0.00 C ATOM 851 OG1 THR A 72 5.855 -7.527 -16.977 1.00 0.00 O ATOM 852 CG2 THR A 72 6.589 -7.925 -14.698 1.00 0.00 C ATOM 0 H THR A 72 8.249 -5.763 -14.133 1.00 0.00 H new ATOM 0 HA THR A 72 7.357 -5.317 -16.925 1.00 0.00 H new ATOM 0 HB THR A 72 7.852 -7.695 -16.418 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.299 -6.726 -17.073 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.421 -8.992 -14.847 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.421 -7.781 -14.009 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.690 -7.471 -14.281 1.00 0.00 H new ATOM 860 N ALA A 73 6.061 -4.511 -14.089 1.00 0.00 N ATOM 861 CA ALA A 73 4.972 -3.804 -13.406 1.00 0.00 C ATOM 862 C ALA A 73 4.869 -2.379 -13.942 1.00 0.00 C ATOM 863 O ALA A 73 5.506 -1.448 -13.430 1.00 0.00 O ATOM 864 CB ALA A 73 5.158 -3.822 -11.886 1.00 0.00 C ATOM 0 H ALA A 73 6.912 -4.592 -13.532 1.00 0.00 H new ATOM 0 HA ALA A 73 4.035 -4.322 -13.613 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.333 -3.289 -11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.174 -4.853 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.099 -3.336 -11.629 1.00 0.00 H new ATOM 870 N ASN A 74 4.120 -2.253 -15.031 1.00 0.00 N ATOM 871 CA ASN A 74 3.802 -0.966 -15.640 1.00 0.00 C ATOM 872 C ASN A 74 2.778 -0.242 -14.748 1.00 0.00 C ATOM 873 O ASN A 74 1.973 -0.884 -14.057 1.00 0.00 O ATOM 874 CB ASN A 74 3.291 -1.170 -17.087 1.00 0.00 C ATOM 875 CG ASN A 74 1.974 -1.941 -17.158 1.00 0.00 C ATOM 876 OD1 ASN A 74 0.877 -1.247 -17.404 1.00 0.00 O flip ATOM 877 ND2 ASN A 74 1.955 -3.162 -17.024 1.00 0.00 N flip ATOM 0 H ASN A 74 3.712 -3.049 -15.521 1.00 0.00 H new ATOM 0 HA ASN A 74 4.693 -0.343 -15.711 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.160 -0.197 -17.560 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.048 -1.704 -17.661 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.820 -3.668 -16.835 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.074 -3.670 -17.102 1.00 0.00 H new ATOM 884 N LYS A 75 2.826 1.086 -14.769 1.00 0.00 N ATOM 885 CA LYS A 75 2.128 1.936 -13.795 1.00 0.00 C ATOM 886 C LYS A 75 0.597 1.869 -13.981 1.00 0.00 C ATOM 887 O LYS A 75 -0.161 2.038 -13.027 1.00 0.00 O ATOM 888 CB LYS A 75 2.693 3.369 -13.915 1.00 0.00 C ATOM 889 CG LYS A 75 2.353 4.319 -12.749 1.00 0.00 C ATOM 890 CD LYS A 75 3.320 5.539 -12.658 1.00 0.00 C ATOM 891 CE LYS A 75 4.686 5.217 -12.004 1.00 0.00 C ATOM 892 NZ LYS A 75 5.527 4.310 -12.831 1.00 0.00 N ATOM 0 H LYS A 75 3.353 1.612 -15.466 1.00 0.00 H new ATOM 0 HA LYS A 75 2.306 1.576 -12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.778 3.306 -14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.322 3.810 -14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.331 4.680 -12.867 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.388 3.763 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.493 5.927 -13.662 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.835 6.332 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.227 6.147 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.517 4.759 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.531 4.480 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.290 3.321 -12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.349 4.494 -13.839 1.00 0.00 H new ATOM 906 N ASP A 76 0.166 1.570 -15.219 1.00 0.00 N ATOM 907 CA ASP A 76 -1.254 1.334 -15.555 1.00 0.00 C ATOM 908 C ASP A 76 -1.794 0.097 -14.799 1.00 0.00 C ATOM 909 O ASP A 76 -2.888 0.141 -14.227 1.00 0.00 O ATOM 910 CB ASP A 76 -1.396 1.163 -17.091 1.00 0.00 C ATOM 911 CG ASP A 76 -2.845 0.941 -17.568 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.606 1.927 -17.671 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.227 -0.217 -17.855 1.00 0.00 O ATOM 0 H ASP A 76 0.793 1.484 -16.019 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.849 2.192 -15.242 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.995 2.049 -17.583 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.786 0.317 -17.410 1.00 0.00 H new ATOM 918 N HIS A 77 -0.982 -0.983 -14.762 1.00 0.00 N ATOM 919 CA HIS A 77 -1.279 -2.229 -14.016 1.00 0.00 C ATOM 920 C HIS A 77 -1.390 -1.945 -12.505 1.00 0.00 C ATOM 921 O HIS A 77 -2.269 -2.487 -11.831 1.00 0.00 O ATOM 922 CB HIS A 77 -0.166 -3.294 -14.288 1.00 0.00 C ATOM 923 CG HIS A 77 -0.160 -4.487 -13.350 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.969 -5.588 -13.520 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.568 -4.736 -12.226 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.744 -6.453 -12.553 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.184 -5.963 -11.751 1.00 0.00 N ATOM 0 H HIS A 77 -0.090 -1.015 -15.256 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.236 -2.621 -14.361 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.277 -3.658 -15.309 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.805 -2.802 -14.229 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.312 -4.086 -11.789 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.237 -7.407 -12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.553 -6.421 -10.918 1.00 0.00 H new ATOM 936 N LEU A 78 -0.469 -1.114 -11.996 1.00 0.00 N ATOM 937 CA LEU A 78 -0.356 -0.802 -10.553 1.00 0.00 C ATOM 938 C LEU A 78 -1.586 -0.050 -10.024 1.00 0.00 C ATOM 939 O LEU A 78 -2.050 -0.310 -8.910 1.00 0.00 O ATOM 940 CB LEU A 78 0.935 0.011 -10.286 1.00 0.00 C ATOM 941 CG LEU A 78 2.259 -0.729 -10.634 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.479 0.168 -10.377 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.361 -2.071 -9.876 1.00 0.00 C ATOM 0 H LEU A 78 0.224 -0.635 -12.571 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.304 -1.748 -10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.890 0.935 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.959 0.292 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 78 2.247 -0.959 -11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.390 -0.375 -10.629 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.408 1.064 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.506 0.453 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.296 -2.567 -10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.337 -1.885 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.522 -2.710 -10.152 1.00 0.00 H new ATOM 955 N VAL A 79 -2.108 0.868 -10.856 1.00 0.00 N ATOM 956 CA VAL A 79 -3.335 1.628 -10.558 1.00 0.00 C ATOM 957 C VAL A 79 -4.573 0.697 -10.597 1.00 0.00 C ATOM 958 O VAL A 79 -5.461 0.798 -9.740 1.00 0.00 O ATOM 959 CB VAL A 79 -3.520 2.829 -11.560 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.857 3.572 -11.304 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.314 3.806 -11.474 1.00 0.00 C ATOM 0 H VAL A 79 -1.690 1.104 -11.756 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.237 2.040 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.557 2.422 -12.570 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.957 4.396 -12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.689 2.880 -11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.867 3.964 -10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.461 4.628 -12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.237 4.201 -10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.396 3.275 -11.727 1.00 0.00 H new ATOM 971 N THR A 80 -4.594 -0.222 -11.582 1.00 0.00 N ATOM 972 CA THR A 80 -5.670 -1.227 -11.732 1.00 0.00 C ATOM 973 C THR A 80 -5.731 -2.164 -10.506 1.00 0.00 C ATOM 974 O THR A 80 -6.813 -2.448 -9.989 1.00 0.00 O ATOM 975 CB THR A 80 -5.478 -2.054 -13.045 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.409 -1.153 -14.163 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.617 -3.070 -13.286 1.00 0.00 C ATOM 0 H THR A 80 -3.868 -0.290 -12.296 1.00 0.00 H new ATOM 0 HA THR A 80 -6.618 -0.693 -11.797 1.00 0.00 H new ATOM 0 HB THR A 80 -4.553 -2.621 -12.938 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.534 -0.711 -14.173 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.429 -3.614 -14.212 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.660 -3.773 -12.454 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.567 -2.541 -13.363 1.00 0.00 H new ATOM 985 N ALA A 81 -4.559 -2.577 -10.012 1.00 0.00 N ATOM 986 CA ALA A 81 -4.438 -3.445 -8.830 1.00 0.00 C ATOM 987 C ALA A 81 -4.866 -2.690 -7.554 1.00 0.00 C ATOM 988 O ALA A 81 -5.597 -3.224 -6.706 1.00 0.00 O ATOM 989 CB ALA A 81 -2.991 -3.955 -8.713 1.00 0.00 C ATOM 0 H ALA A 81 -3.661 -2.318 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.103 -4.301 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.902 -4.598 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.731 -4.522 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.314 -3.107 -8.611 1.00 0.00 H new ATOM 995 N TYR A 82 -4.426 -1.425 -7.474 1.00 0.00 N ATOM 996 CA TYR A 82 -4.784 -0.484 -6.396 1.00 0.00 C ATOM 997 C TYR A 82 -6.316 -0.414 -6.225 1.00 0.00 C ATOM 998 O TYR A 82 -6.829 -0.721 -5.154 1.00 0.00 O ATOM 999 CB TYR A 82 -4.143 0.904 -6.732 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.741 2.149 -6.051 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -5.808 2.841 -6.644 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.222 2.660 -4.855 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -6.335 3.979 -6.080 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.757 3.802 -4.285 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.813 4.453 -4.905 1.00 0.00 C ATOM 1006 OH TYR A 82 -6.345 5.591 -4.351 1.00 0.00 O ATOM 0 H TYR A 82 -3.800 -1.018 -8.168 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.392 -0.822 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.085 0.856 -6.475 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.203 1.050 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.226 2.470 -7.568 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.396 2.158 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.154 4.495 -6.559 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.353 4.185 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.621 6.202 -4.099 1.00 0.00 H new ATOM 1016 N ASN A 83 -7.029 -0.098 -7.323 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.498 0.098 -7.311 1.00 0.00 C ATOM 1018 C ASN A 83 -9.238 -1.198 -6.951 1.00 0.00 C ATOM 1019 O ASN A 83 -10.139 -1.183 -6.101 1.00 0.00 O ATOM 1020 CB ASN A 83 -9.000 0.658 -8.676 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.834 2.176 -8.789 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.722 2.926 -8.392 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.709 2.643 -9.316 1.00 0.00 N ATOM 0 H ASN A 83 -6.607 0.029 -8.243 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.721 0.833 -6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.452 0.175 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.051 0.401 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.564 3.649 -9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.989 1.996 -9.637 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.826 -2.322 -7.576 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.437 -3.652 -7.352 1.00 0.00 C ATOM 1032 C HIS A 84 -9.282 -4.115 -5.890 1.00 0.00 C ATOM 1033 O HIS A 84 -10.094 -4.917 -5.410 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.889 -4.706 -8.359 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.561 -4.650 -9.714 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.501 -5.574 -10.119 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.451 -3.767 -10.739 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.924 -5.272 -11.328 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.309 -4.180 -11.727 1.00 0.00 N ATOM 0 H HIS A 84 -8.061 -2.334 -8.250 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.507 -3.554 -7.538 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.817 -4.553 -8.487 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.020 -5.703 -7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.808 -2.900 -10.771 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.654 -5.828 -11.897 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.447 -3.716 -12.625 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.256 -3.614 -5.186 1.00 0.00 N ATOM 1049 CA LEU A 85 -8.095 -3.869 -3.741 1.00 0.00 C ATOM 1050 C LEU A 85 -9.288 -3.328 -2.949 1.00 0.00 C ATOM 1051 O LEU A 85 -9.906 -4.052 -2.168 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.763 -3.247 -3.206 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.647 -4.266 -2.900 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -4.289 -3.584 -2.634 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -6.058 -5.186 -1.735 1.00 0.00 C ATOM 0 H LEU A 85 -7.524 -3.030 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.052 -4.949 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.391 -2.533 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.981 -2.685 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.513 -4.882 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.536 -4.343 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.991 -3.011 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.379 -2.915 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.258 -5.898 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.241 -4.585 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.966 -5.727 -2.001 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.598 -2.049 -3.179 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.670 -1.350 -2.456 1.00 0.00 C ATOM 1069 C PHE A 86 -12.069 -1.832 -2.928 1.00 0.00 C ATOM 1070 O PHE A 86 -13.027 -1.847 -2.154 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.571 0.181 -2.657 1.00 0.00 C ATOM 1072 CG PHE A 86 -9.207 0.789 -2.336 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.806 1.064 -1.027 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.326 1.088 -3.357 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -7.559 1.623 -0.771 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -7.098 1.638 -3.094 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.712 1.906 -1.804 1.00 0.00 C ATOM 0 H PHE A 86 -9.117 -1.470 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.547 -1.583 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.820 0.413 -3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.323 0.663 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.471 0.840 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.609 0.885 -4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.260 1.833 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.427 1.863 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.742 2.339 -1.607 1.00 0.00 H new ATOM 1087 N GLU A 87 -12.128 -2.227 -4.222 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.362 -2.604 -4.969 1.00 0.00 C ATOM 1089 C GLU A 87 -14.266 -3.597 -4.216 1.00 0.00 C ATOM 1090 O GLU A 87 -15.484 -3.400 -4.104 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.922 -3.232 -6.321 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.036 -3.822 -7.204 1.00 0.00 C ATOM 1093 CD GLU A 87 -13.493 -4.500 -8.473 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.056 -5.670 -8.400 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -13.490 -3.868 -9.549 1.00 0.00 O ATOM 0 H GLU A 87 -11.290 -2.296 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.956 -1.700 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.400 -2.468 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.200 -4.021 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.606 -4.548 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.727 -3.028 -7.489 1.00 0.00 H new ATOM 1102 N THR A 88 -13.645 -4.659 -3.710 1.00 0.00 N ATOM 1103 CA THR A 88 -14.317 -5.742 -2.980 1.00 0.00 C ATOM 1104 C THR A 88 -13.736 -5.859 -1.561 1.00 0.00 C ATOM 1105 O THR A 88 -14.227 -6.662 -0.758 1.00 0.00 O ATOM 1106 CB THR A 88 -14.125 -7.092 -3.745 1.00 0.00 C ATOM 1107 OG1 THR A 88 -12.735 -7.268 -4.033 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.918 -7.140 -5.063 1.00 0.00 C ATOM 0 H THR A 88 -12.638 -4.798 -3.795 1.00 0.00 H new ATOM 0 HA THR A 88 -15.381 -5.517 -2.909 1.00 0.00 H new ATOM 0 HB THR A 88 -14.501 -7.890 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.567 -8.203 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.750 -8.098 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.981 -7.022 -4.853 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.586 -6.334 -5.717 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.693 -5.038 -1.278 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.913 -5.083 -0.028 1.00 0.00 C ATOM 1118 C LYS A 89 -11.212 -6.454 0.102 1.00 0.00 C ATOM 1119 O LYS A 89 -11.603 -7.307 0.902 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.785 -4.712 1.208 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.384 -3.287 1.134 1.00 0.00 C ATOM 1122 CD LYS A 89 -14.407 -2.989 2.254 1.00 0.00 C ATOM 1123 CE LYS A 89 -15.610 -3.946 2.240 1.00 0.00 C ATOM 1124 NZ LYS A 89 -16.304 -3.958 0.924 1.00 0.00 N ATOM 0 H LYS A 89 -12.371 -4.318 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.132 -4.323 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.596 -5.434 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.178 -4.796 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.575 -2.558 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.868 -3.155 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.908 -3.056 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.764 -1.964 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.273 -4.954 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.315 -3.652 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.165 -4.537 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.560 -2.986 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.672 -4.360 0.202 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.211 -6.655 -0.774 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.321 -7.849 -0.803 1.00 0.00 C ATOM 1140 C ARG A 90 -8.119 -7.692 0.151 1.00 0.00 C ATOM 1141 O ARG A 90 -7.125 -8.421 0.053 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.838 -8.067 -2.256 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.953 -8.508 -3.226 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.538 -8.336 -4.691 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.442 -9.037 -5.632 1.00 0.00 N ATOM 1146 CZ ARG A 90 -11.158 -8.457 -6.612 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -11.181 -7.138 -6.749 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.871 -9.200 -7.441 1.00 0.00 N ATOM 0 H ARG A 90 -9.986 -5.979 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.884 -8.717 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.395 -7.141 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.050 -8.820 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.204 -9.552 -3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.853 -7.925 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.519 -7.274 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.523 -8.711 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.529 -10.048 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.651 -6.549 -6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.729 -6.712 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.879 -10.215 -7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.413 -8.758 -8.184 1.00 0.00 H new ATOM 1162 N PHE A 91 -8.234 -6.712 1.041 1.00 0.00 N ATOM 1163 CA PHE A 91 -7.304 -6.486 2.166 1.00 0.00 C ATOM 1164 C PHE A 91 -7.194 -7.740 3.066 1.00 0.00 C ATOM 1165 O PHE A 91 -8.074 -8.605 3.059 1.00 0.00 O ATOM 1166 CB PHE A 91 -7.775 -5.277 3.019 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.717 -3.892 2.360 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -7.862 -3.712 0.985 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.555 -2.756 3.145 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -7.841 -2.450 0.427 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -7.529 -1.500 2.588 1.00 0.00 C ATOM 1172 CZ PHE A 91 -7.670 -1.346 1.235 1.00 0.00 C ATOM 0 H PHE A 91 -8.992 -6.030 1.008 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.321 -6.275 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.804 -5.462 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.170 -5.246 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.993 -4.573 0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.447 -2.863 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.958 -2.327 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.397 -0.633 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.647 -0.358 0.800 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.113 -7.808 3.843 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.839 -8.924 4.752 1.00 0.00 C ATOM 1184 C LYS A 92 -6.054 -8.428 6.200 1.00 0.00 C ATOM 1185 O LYS A 92 -7.101 -8.743 6.804 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.395 -9.462 4.516 1.00 0.00 C ATOM 1187 CG LYS A 92 -4.067 -10.761 5.292 1.00 0.00 C ATOM 1188 CD LYS A 92 -2.615 -11.251 5.083 1.00 0.00 C ATOM 1189 CE LYS A 92 -2.315 -11.663 3.633 1.00 0.00 C ATOM 1190 NZ LYS A 92 -0.905 -12.092 3.469 1.00 0.00 N ATOM 1191 OXT LYS A 92 -5.212 -7.651 6.700 1.00 0.00 O ATOM 0 H LYS A 92 -5.395 -7.084 3.860 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.517 -9.757 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.257 -9.644 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.680 -8.690 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.236 -10.593 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.756 -11.546 4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.926 -10.460 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.427 -12.100 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.980 -12.476 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.521 -10.826 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.878 -13.053 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.416 -11.438 2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.431 -12.087 4.395 1.00 0.00 H new