USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HD1:sc= -0.621 K(o=-0.62,f=0) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 TYR OH : rot 180:sc= -0.022 USER MOD Set 2.2: A 21 MET CE :methyl -130:sc= -3.01! (180deg=-7.23!) USER MOD Set 2.3: A 84 LYS NZ :NH3+ -123:sc= -0.328 (180deg=-3.3!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.754 USER MOD Single : A 14 MET CE :methyl -154:sc= 0 (180deg=-0.338) USER MOD Single : A 24 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.076) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 33 MET CE :methyl 176:sc= -2.11 (180deg=-2.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 30:sc= 0.305 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.334 K(o=0.33,f=-6.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 55 CYS SG : rot 80:sc= -2.59! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -117:sc= -0.576 USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -2.15! (180deg=-2.52!) USER MOD Single : A 73 ASN : amide:sc= -1.03! C(o=-1!,f=-1.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0869 K(o=-0.087,f=0.47) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.436 3.394 -14.542 1.00 0.00 N ATOM 84 CA ALA A 9 7.552 4.552 -14.585 1.00 0.00 C ATOM 85 C ALA A 9 6.088 4.127 -14.558 1.00 0.00 C ATOM 86 O ALA A 9 5.303 4.623 -13.751 1.00 0.00 O ATOM 87 CB ALA A 9 7.838 5.388 -15.824 1.00 0.00 C ATOM 0 HA ALA A 9 7.743 5.157 -13.699 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.171 6.250 -15.844 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.872 5.731 -15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.676 4.783 -16.716 1.00 0.00 H new ATOM 93 N ALA A 10 5.728 3.206 -15.446 1.00 0.00 N ATOM 94 CA ALA A 10 4.358 2.713 -15.522 1.00 0.00 C ATOM 95 C ALA A 10 4.166 1.487 -14.635 1.00 0.00 C ATOM 96 O ALA A 10 3.294 0.656 -14.890 1.00 0.00 O ATOM 97 CB ALA A 10 3.994 2.387 -16.963 1.00 0.00 C ATOM 0 H ALA A 10 6.366 2.786 -16.123 1.00 0.00 H new ATOM 0 HA ALA A 10 3.694 3.498 -15.160 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.969 2.020 -17.005 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.083 3.286 -17.573 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.669 1.621 -17.345 1.00 0.00 H new ATOM 103 N SER A 11 4.986 1.381 -13.595 1.00 0.00 N ATOM 104 CA SER A 11 4.908 0.253 -12.673 1.00 0.00 C ATOM 105 C SER A 11 4.509 0.720 -11.276 1.00 0.00 C ATOM 106 O SER A 11 4.531 1.915 -10.978 1.00 0.00 O ATOM 107 CB SER A 11 6.251 -0.478 -12.614 1.00 0.00 C ATOM 108 OG SER A 11 6.491 -1.200 -13.809 1.00 0.00 O ATOM 0 H SER A 11 5.712 2.061 -13.369 1.00 0.00 H new ATOM 0 HA SER A 11 4.144 -0.433 -13.040 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.054 0.242 -12.453 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.260 -1.161 -11.765 1.00 0.00 H new ATOM 0 HG SER A 11 7.356 -1.657 -13.747 1.00 0.00 H new ATOM 114 N LEU A 12 4.144 -0.231 -10.423 1.00 0.00 N ATOM 115 CA LEU A 12 3.740 0.081 -9.057 1.00 0.00 C ATOM 116 C LEU A 12 4.436 -0.838 -8.059 1.00 0.00 C ATOM 117 O LEU A 12 4.684 -2.009 -8.348 1.00 0.00 O ATOM 118 CB LEU A 12 2.222 -0.046 -8.912 1.00 0.00 C ATOM 119 CG LEU A 12 1.383 0.715 -9.939 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.021 0.059 -10.107 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.229 2.172 -9.527 1.00 0.00 C ATOM 0 H LEU A 12 4.120 -1.224 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 12 4.035 1.108 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.959 -1.102 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.942 0.299 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 12 1.899 0.682 -10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.562 0.614 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.151 -0.968 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.504 0.060 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.629 2.699 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.735 2.226 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.213 2.637 -9.459 1.00 0.00 H new ATOM 133 N TRP A 13 4.748 -0.301 -6.886 1.00 0.00 N ATOM 134 CA TRP A 13 5.414 -1.075 -5.844 1.00 0.00 C ATOM 135 C TRP A 13 4.403 -1.872 -5.027 1.00 0.00 C ATOM 136 O TRP A 13 3.351 -1.357 -4.652 1.00 0.00 O ATOM 137 CB TRP A 13 6.214 -0.149 -4.926 1.00 0.00 C ATOM 138 CG TRP A 13 6.557 -0.772 -3.606 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.749 -1.335 -3.250 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.696 -0.897 -2.469 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.682 -1.802 -1.960 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.433 -1.545 -1.458 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.376 -0.523 -2.205 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.892 -1.826 -0.207 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.840 -0.803 -0.962 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.597 -1.449 0.024 1.00 0.00 C ATOM 0 H TRP A 13 4.551 0.667 -6.632 1.00 0.00 H new ATOM 0 HA TRP A 13 6.096 -1.776 -6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.134 0.145 -5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.641 0.762 -4.752 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.617 -1.403 -3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.439 -2.265 -1.457 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.785 -0.024 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.474 -2.324 0.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.820 -0.519 -0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.150 -1.654 0.985 1.00 0.00 H new ATOM 157 N MET A 14 4.730 -3.131 -4.754 1.00 0.00 N ATOM 158 CA MET A 14 3.850 -3.998 -3.979 1.00 0.00 C ATOM 159 C MET A 14 4.636 -4.760 -2.917 1.00 0.00 C ATOM 160 O MET A 14 5.269 -5.774 -3.208 1.00 0.00 O ATOM 161 CB MET A 14 3.129 -4.982 -4.902 1.00 0.00 C ATOM 162 CG MET A 14 2.170 -5.909 -4.171 1.00 0.00 C ATOM 163 SD MET A 14 1.390 -7.108 -5.268 1.00 0.00 S ATOM 164 CE MET A 14 -0.215 -7.283 -4.493 1.00 0.00 C ATOM 0 H MET A 14 5.597 -3.573 -5.058 1.00 0.00 H new ATOM 0 HA MET A 14 3.111 -3.372 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.576 -4.422 -5.656 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.870 -5.582 -5.430 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.710 -6.438 -3.386 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.398 -5.315 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.629 -8.263 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.110 -7.186 -3.412 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.884 -6.507 -4.863 1.00 0.00 H new ATOM 174 N GLY A 15 4.589 -4.265 -1.684 1.00 0.00 N ATOM 175 CA GLY A 15 5.301 -4.913 -0.598 1.00 0.00 C ATOM 176 C GLY A 15 4.411 -5.837 0.210 1.00 0.00 C ATOM 177 O GLY A 15 3.385 -6.306 -0.282 1.00 0.00 O ATOM 0 H GLY A 15 4.071 -3.428 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.137 -5.483 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.723 -4.153 0.060 1.00 0.00 H new ATOM 181 N ASP A 16 4.805 -6.099 1.451 1.00 0.00 N ATOM 182 CA ASP A 16 4.035 -6.974 2.328 1.00 0.00 C ATOM 183 C ASP A 16 3.636 -8.255 1.604 1.00 0.00 C ATOM 184 O ASP A 16 2.460 -8.620 1.567 1.00 0.00 O ATOM 185 CB ASP A 16 2.787 -6.251 2.837 1.00 0.00 C ATOM 186 CG ASP A 16 2.296 -6.805 4.160 1.00 0.00 C ATOM 187 OD1 ASP A 16 3.099 -7.450 4.868 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.110 -6.594 4.488 1.00 0.00 O ATOM 0 H ASP A 16 5.652 -5.719 1.873 1.00 0.00 H new ATOM 0 HA ASP A 16 4.664 -7.240 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.006 -5.189 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.994 -6.335 2.094 1.00 0.00 H new ATOM 193 N LEU A 17 4.622 -8.934 1.027 1.00 0.00 N ATOM 194 CA LEU A 17 4.374 -10.175 0.301 1.00 0.00 C ATOM 195 C LEU A 17 4.906 -11.375 1.078 1.00 0.00 C ATOM 196 O LEU A 17 5.688 -11.222 2.016 1.00 0.00 O ATOM 197 CB LEU A 17 5.024 -10.119 -1.082 1.00 0.00 C ATOM 198 CG LEU A 17 4.666 -8.907 -1.943 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.508 -8.885 -3.209 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.183 -8.917 -2.287 1.00 0.00 C ATOM 0 H LEU A 17 5.600 -8.646 1.048 1.00 0.00 H new ATOM 0 HA LEU A 17 3.296 -10.290 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.106 -10.142 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.749 -11.021 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 17 4.881 -8.003 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.240 -8.016 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.564 -8.830 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.325 -9.793 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.946 -8.047 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.944 -9.826 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.596 -8.885 -1.369 1.00 0.00 H new ATOM 212 N GLU A 18 4.480 -12.569 0.678 1.00 0.00 N ATOM 213 CA GLU A 18 4.915 -13.795 1.336 1.00 0.00 C ATOM 214 C GLU A 18 5.961 -14.522 0.495 1.00 0.00 C ATOM 215 O GLU A 18 6.083 -14.306 -0.711 1.00 0.00 O ATOM 216 CB GLU A 18 3.720 -14.716 1.591 1.00 0.00 C ATOM 217 CG GLU A 18 3.013 -14.444 2.908 1.00 0.00 C ATOM 218 CD GLU A 18 3.727 -15.063 4.093 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.780 -14.528 4.498 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.233 -16.084 4.616 1.00 0.00 O ATOM 0 H GLU A 18 3.834 -12.713 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 18 5.365 -13.524 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.006 -14.605 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.061 -15.751 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.935 -13.367 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.996 -14.834 2.857 1.00 0.00 H new ATOM 227 N PRO A 19 6.733 -15.405 1.145 1.00 0.00 N ATOM 228 CA PRO A 19 7.781 -16.182 0.477 1.00 0.00 C ATOM 229 C PRO A 19 7.211 -17.232 -0.470 1.00 0.00 C ATOM 230 O PRO A 19 7.939 -17.824 -1.268 1.00 0.00 O ATOM 231 CB PRO A 19 8.518 -16.855 1.638 1.00 0.00 C ATOM 232 CG PRO A 19 7.511 -16.931 2.733 1.00 0.00 C ATOM 233 CD PRO A 19 6.642 -15.713 2.582 1.00 0.00 C ATOM 0 HA PRO A 19 8.419 -15.554 -0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.875 -17.846 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.390 -16.276 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.920 -17.844 2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.996 -16.946 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.614 -15.912 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.000 -14.885 3.194 1.00 0.00 H new ATOM 241 N TYR A 20 5.905 -17.457 -0.379 1.00 0.00 N ATOM 242 CA TYR A 20 5.237 -18.437 -1.227 1.00 0.00 C ATOM 243 C TYR A 20 4.593 -17.763 -2.435 1.00 0.00 C ATOM 244 O TYR A 20 4.094 -18.431 -3.340 1.00 0.00 O ATOM 245 CB TYR A 20 4.177 -19.196 -0.428 1.00 0.00 C ATOM 246 CG TYR A 20 3.030 -18.327 0.035 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.120 -17.801 -0.873 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.855 -18.033 1.382 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.071 -17.006 -0.454 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.808 -17.240 1.811 1.00 0.00 C ATOM 251 CZ TYR A 20 0.919 -16.728 0.889 1.00 0.00 C ATOM 252 OH TYR A 20 -0.126 -15.938 1.310 1.00 0.00 O ATOM 0 H TYR A 20 5.288 -16.974 0.274 1.00 0.00 H new ATOM 0 HA TYR A 20 5.988 -19.142 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.783 -20.006 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.648 -19.654 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.235 -18.017 -1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.550 -18.432 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.373 -16.604 -1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.686 -17.022 2.862 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.090 -15.840 2.284 1.00 0.00 H new ATOM 262 N MET A 21 4.609 -16.434 -2.441 1.00 0.00 N ATOM 263 CA MET A 21 4.029 -15.668 -3.538 1.00 0.00 C ATOM 264 C MET A 21 5.040 -15.481 -4.665 1.00 0.00 C ATOM 265 O MET A 21 6.080 -14.849 -4.480 1.00 0.00 O ATOM 266 CB MET A 21 3.547 -14.305 -3.038 1.00 0.00 C ATOM 267 CG MET A 21 2.330 -14.386 -2.130 1.00 0.00 C ATOM 268 SD MET A 21 1.595 -12.771 -1.809 1.00 0.00 S ATOM 269 CE MET A 21 0.330 -13.206 -0.617 1.00 0.00 C ATOM 0 H MET A 21 5.017 -15.866 -1.699 1.00 0.00 H new ATOM 0 HA MET A 21 3.177 -16.226 -3.927 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.359 -13.816 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.309 -13.676 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.584 -15.036 -2.586 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.617 -14.845 -1.184 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.624 -12.778 -0.926 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.240 -14.291 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.603 -12.814 0.363 1.00 0.00 H new ATOM 279 N ASP A 22 4.727 -16.034 -5.832 1.00 0.00 N ATOM 280 CA ASP A 22 5.608 -15.927 -6.989 1.00 0.00 C ATOM 281 C ASP A 22 4.944 -15.128 -8.106 1.00 0.00 C ATOM 282 O ASP A 22 3.740 -14.876 -8.070 1.00 0.00 O ATOM 283 CB ASP A 22 5.989 -17.318 -7.497 1.00 0.00 C ATOM 284 CG ASP A 22 6.112 -18.330 -6.375 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.796 -18.027 -5.375 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.525 -19.425 -6.497 1.00 0.00 O ATOM 0 H ASP A 22 3.870 -16.561 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 22 6.512 -15.402 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.238 -17.660 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.935 -17.259 -8.034 1.00 0.00 H new ATOM 291 N GLU A 23 5.737 -14.732 -9.096 1.00 0.00 N ATOM 292 CA GLU A 23 5.225 -13.960 -10.222 1.00 0.00 C ATOM 293 C GLU A 23 3.800 -14.382 -10.568 1.00 0.00 C ATOM 294 O GLU A 23 2.976 -13.558 -10.962 1.00 0.00 O ATOM 295 CB GLU A 23 6.131 -14.134 -11.442 1.00 0.00 C ATOM 296 CG GLU A 23 7.461 -13.409 -11.321 1.00 0.00 C ATOM 297 CD GLU A 23 8.478 -14.188 -10.510 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.161 -15.322 -10.094 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.590 -13.664 -10.291 1.00 0.00 O ATOM 0 H GLU A 23 6.736 -14.933 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 23 5.214 -12.909 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.319 -15.197 -11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.608 -13.771 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.862 -13.224 -12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.299 -12.436 -10.856 1.00 0.00 H new ATOM 306 N ASN A 24 3.519 -15.672 -10.419 1.00 0.00 N ATOM 307 CA ASN A 24 2.195 -16.206 -10.717 1.00 0.00 C ATOM 308 C ASN A 24 1.169 -15.715 -9.700 1.00 0.00 C ATOM 309 O ASN A 24 0.145 -15.136 -10.064 1.00 0.00 O ATOM 310 CB ASN A 24 2.228 -17.735 -10.727 1.00 0.00 C ATOM 311 CG ASN A 24 3.444 -18.282 -11.450 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.704 -17.933 -12.601 1.00 0.00 O ATOM 313 ND2 ASN A 24 4.194 -19.146 -10.776 1.00 0.00 N ATOM 0 H ASN A 24 4.191 -16.367 -10.094 1.00 0.00 H new ATOM 0 HA ASN A 24 1.901 -15.850 -11.704 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.223 -18.103 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.324 -18.112 -11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.024 -19.549 -11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.940 -19.407 -9.823 1.00 0.00 H new ATOM 320 N PHE A 25 1.452 -15.949 -8.423 1.00 0.00 N ATOM 321 CA PHE A 25 0.554 -15.531 -7.352 1.00 0.00 C ATOM 322 C PHE A 25 0.203 -14.052 -7.483 1.00 0.00 C ATOM 323 O PHE A 25 -0.964 -13.692 -7.639 1.00 0.00 O ATOM 324 CB PHE A 25 1.195 -15.795 -5.988 1.00 0.00 C ATOM 325 CG PHE A 25 0.281 -15.510 -4.831 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.066 -14.209 -4.405 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.362 -16.543 -4.169 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.775 -13.944 -3.341 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.204 -16.283 -3.104 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.410 -14.982 -2.689 1.00 0.00 C ATOM 0 H PHE A 25 2.296 -16.426 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.364 -16.113 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.514 -16.836 -5.941 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.091 -15.182 -5.892 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.561 -13.393 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.204 -17.562 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.935 -12.925 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.701 -17.097 -2.597 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.066 -14.777 -1.856 1.00 0.00 H new ATOM 340 N ILE A 26 1.221 -13.200 -7.419 1.00 0.00 N ATOM 341 CA ILE A 26 1.020 -11.761 -7.531 1.00 0.00 C ATOM 342 C ILE A 26 0.076 -11.425 -8.681 1.00 0.00 C ATOM 343 O ILE A 26 -0.893 -10.686 -8.507 1.00 0.00 O ATOM 344 CB ILE A 26 2.354 -11.021 -7.745 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.314 -11.312 -6.589 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.114 -9.525 -7.878 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.818 -10.810 -5.251 1.00 0.00 C ATOM 0 H ILE A 26 2.193 -13.482 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 26 0.577 -11.431 -6.592 1.00 0.00 H new ATOM 0 HB ILE A 26 2.808 -11.380 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.479 -12.388 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.279 -10.854 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.066 -9.016 -8.029 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.462 -9.335 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.642 -9.150 -6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.548 -11.051 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.680 -9.730 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.867 -11.287 -5.013 1.00 0.00 H new ATOM 359 N SER A 27 0.364 -11.975 -9.856 1.00 0.00 N ATOM 360 CA SER A 27 -0.458 -11.733 -11.036 1.00 0.00 C ATOM 361 C SER A 27 -1.908 -12.131 -10.778 1.00 0.00 C ATOM 362 O SER A 27 -2.833 -11.377 -11.080 1.00 0.00 O ATOM 363 CB SER A 27 0.091 -12.509 -12.234 1.00 0.00 C ATOM 364 OG SER A 27 -0.703 -12.295 -13.388 1.00 0.00 O ATOM 0 H SER A 27 1.161 -12.591 -10.016 1.00 0.00 H new ATOM 0 HA SER A 27 -0.426 -10.666 -11.259 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.117 -12.199 -12.432 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.119 -13.573 -12.000 1.00 0.00 H new ATOM 0 HG SER A 27 -0.330 -12.801 -14.140 1.00 0.00 H new ATOM 370 N ARG A 28 -2.098 -13.322 -10.219 1.00 0.00 N ATOM 371 CA ARG A 28 -3.434 -13.823 -9.922 1.00 0.00 C ATOM 372 C ARG A 28 -4.216 -12.819 -9.079 1.00 0.00 C ATOM 373 O ARG A 28 -5.390 -12.558 -9.338 1.00 0.00 O ATOM 374 CB ARG A 28 -3.349 -15.163 -9.190 1.00 0.00 C ATOM 375 CG ARG A 28 -3.336 -16.365 -10.120 1.00 0.00 C ATOM 376 CD ARG A 28 -3.781 -17.630 -9.402 1.00 0.00 C ATOM 377 NE ARG A 28 -5.234 -17.708 -9.281 1.00 0.00 N ATOM 378 CZ ARG A 28 -6.051 -17.859 -10.318 1.00 0.00 C ATOM 379 NH1 ARG A 28 -5.558 -17.948 -11.546 1.00 0.00 N ATOM 380 NH2 ARG A 28 -7.362 -17.922 -10.128 1.00 0.00 N ATOM 0 H ARG A 28 -1.343 -13.958 -9.963 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.959 -13.966 -10.866 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.446 -15.177 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.196 -15.250 -8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.993 -16.177 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.332 -16.506 -10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.415 -18.502 -9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.332 -17.660 -8.409 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.644 -17.643 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.550 -17.901 -11.696 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.187 -18.064 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.744 -17.855 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.988 -18.038 -10.925 1.00 0.00 H new ATOM 394 N ALA A 29 -3.555 -12.261 -8.070 1.00 0.00 N ATOM 395 CA ALA A 29 -4.187 -11.285 -7.191 1.00 0.00 C ATOM 396 C ALA A 29 -4.841 -10.165 -7.992 1.00 0.00 C ATOM 397 O ALA A 29 -6.046 -9.935 -7.887 1.00 0.00 O ATOM 398 CB ALA A 29 -3.166 -10.714 -6.217 1.00 0.00 C ATOM 0 H ALA A 29 -2.583 -12.468 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.968 -11.794 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.651 -9.986 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.749 -11.520 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.366 -10.226 -6.773 1.00 0.00 H new ATOM 404 N PHE A 30 -4.039 -9.471 -8.793 1.00 0.00 N ATOM 405 CA PHE A 30 -4.540 -8.373 -9.612 1.00 0.00 C ATOM 406 C PHE A 30 -5.667 -8.847 -10.526 1.00 0.00 C ATOM 407 O PHE A 30 -6.754 -8.270 -10.539 1.00 0.00 O ATOM 408 CB PHE A 30 -3.408 -7.774 -10.448 1.00 0.00 C ATOM 409 CG PHE A 30 -2.496 -6.873 -9.665 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.485 -7.401 -8.879 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.652 -5.497 -9.714 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.645 -6.575 -8.157 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.814 -4.665 -8.995 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.810 -5.205 -8.215 1.00 0.00 C ATOM 0 H PHE A 30 -3.040 -9.649 -8.892 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.934 -7.606 -8.945 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.821 -8.583 -10.883 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.838 -7.211 -11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.352 -8.472 -8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.437 -5.070 -10.321 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.139 -7.000 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.944 -3.594 -9.043 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.155 -4.557 -7.651 1.00 0.00 H new ATOM 424 N ALA A 31 -5.398 -9.901 -11.289 1.00 0.00 N ATOM 425 CA ALA A 31 -6.388 -10.453 -12.205 1.00 0.00 C ATOM 426 C ALA A 31 -7.705 -10.729 -11.489 1.00 0.00 C ATOM 427 O ALA A 31 -8.783 -10.470 -12.026 1.00 0.00 O ATOM 428 CB ALA A 31 -5.859 -11.726 -12.849 1.00 0.00 C ATOM 0 H ALA A 31 -4.503 -10.390 -11.291 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.576 -9.715 -12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.609 -12.128 -13.531 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.948 -11.502 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.641 -12.462 -12.075 1.00 0.00 H new ATOM 434 N THR A 32 -7.613 -11.256 -10.272 1.00 0.00 N ATOM 435 CA THR A 32 -8.797 -11.569 -9.482 1.00 0.00 C ATOM 436 C THR A 32 -9.565 -10.303 -9.118 1.00 0.00 C ATOM 437 O THR A 32 -10.795 -10.303 -9.075 1.00 0.00 O ATOM 438 CB THR A 32 -8.428 -12.321 -8.190 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.703 -13.514 -8.508 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.676 -12.677 -7.396 1.00 0.00 C ATOM 0 H THR A 32 -6.729 -11.475 -9.812 1.00 0.00 H new ATOM 0 HA THR A 32 -9.428 -12.209 -10.098 1.00 0.00 H new ATOM 0 HB THR A 32 -7.803 -11.668 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.776 -13.285 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.390 -13.208 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.211 -11.765 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.322 -13.314 -8.000 1.00 0.00 H new ATOM 448 N MET A 33 -8.832 -9.226 -8.858 1.00 0.00 N ATOM 449 CA MET A 33 -9.445 -7.952 -8.500 1.00 0.00 C ATOM 450 C MET A 33 -10.002 -7.251 -9.735 1.00 0.00 C ATOM 451 O MET A 33 -10.563 -6.160 -9.641 1.00 0.00 O ATOM 452 CB MET A 33 -8.427 -7.049 -7.802 1.00 0.00 C ATOM 453 CG MET A 33 -8.170 -7.430 -6.353 1.00 0.00 C ATOM 454 SD MET A 33 -9.667 -7.390 -5.349 1.00 0.00 S ATOM 455 CE MET A 33 -9.465 -5.825 -4.501 1.00 0.00 C ATOM 0 H MET A 33 -7.813 -9.210 -8.888 1.00 0.00 H new ATOM 0 HA MET A 33 -10.269 -8.154 -7.816 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.486 -7.084 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.780 -6.019 -7.841 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.738 -8.430 -6.315 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.433 -6.749 -5.927 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.348 -5.623 -3.894 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.586 -5.870 -3.859 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.339 -5.028 -5.234 1.00 0.00 H new ATOM 465 N GLY A 34 -9.844 -7.885 -10.893 1.00 0.00 N ATOM 466 CA GLY A 34 -10.335 -7.306 -12.129 1.00 0.00 C ATOM 467 C GLY A 34 -9.337 -6.357 -12.762 1.00 0.00 C ATOM 468 O GLY A 34 -9.715 -5.318 -13.301 1.00 0.00 O ATOM 0 H GLY A 34 -9.384 -8.790 -10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.569 -8.105 -12.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.265 -6.772 -11.932 1.00 0.00 H new ATOM 472 N GLU A 35 -8.059 -6.716 -12.696 1.00 0.00 N ATOM 473 CA GLU A 35 -7.003 -5.886 -13.266 1.00 0.00 C ATOM 474 C GLU A 35 -6.056 -6.723 -14.122 1.00 0.00 C ATOM 475 O GLU A 35 -5.716 -7.853 -13.769 1.00 0.00 O ATOM 476 CB GLU A 35 -6.219 -5.185 -12.155 1.00 0.00 C ATOM 477 CG GLU A 35 -6.857 -3.889 -11.684 1.00 0.00 C ATOM 478 CD GLU A 35 -7.344 -3.027 -12.833 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.715 -3.064 -13.911 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.354 -2.316 -12.654 1.00 0.00 O ATOM 0 H GLU A 35 -7.730 -7.574 -12.254 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.470 -5.133 -13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.123 -5.862 -11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.210 -4.975 -12.511 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.695 -4.119 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.134 -3.326 -11.093 1.00 0.00 H new ATOM 487 N THR A 36 -5.635 -6.160 -15.250 1.00 0.00 N ATOM 488 CA THR A 36 -4.729 -6.853 -16.158 1.00 0.00 C ATOM 489 C THR A 36 -3.285 -6.422 -15.930 1.00 0.00 C ATOM 490 O THR A 36 -2.885 -5.325 -16.321 1.00 0.00 O ATOM 491 CB THR A 36 -5.103 -6.596 -17.630 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.492 -6.878 -17.839 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.261 -7.455 -18.560 1.00 0.00 C ATOM 0 H THR A 36 -5.907 -5.226 -15.557 1.00 0.00 H new ATOM 0 HA THR A 36 -4.825 -7.918 -15.947 1.00 0.00 H new ATOM 0 HB THR A 36 -4.908 -5.547 -17.854 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.722 -6.711 -18.777 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.543 -7.256 -19.594 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.207 -7.218 -18.419 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.429 -8.508 -18.334 1.00 0.00 H new ATOM 501 N VAL A 37 -2.506 -7.291 -15.295 1.00 0.00 N ATOM 502 CA VAL A 37 -1.104 -7.000 -15.016 1.00 0.00 C ATOM 503 C VAL A 37 -0.227 -7.315 -16.223 1.00 0.00 C ATOM 504 O VAL A 37 -0.412 -8.333 -16.889 1.00 0.00 O ATOM 505 CB VAL A 37 -0.595 -7.801 -13.803 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.254 -9.227 -14.209 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.609 -7.113 -13.178 1.00 0.00 C ATOM 0 H VAL A 37 -2.821 -8.203 -14.964 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.040 -5.935 -14.792 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.389 -7.842 -13.057 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.104 -9.777 -13.339 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.144 -9.715 -14.606 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.523 -9.212 -14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.956 -7.692 -12.322 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.409 -7.040 -13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.326 -6.113 -12.849 1.00 0.00 H new ATOM 517 N MET A 38 0.729 -6.433 -16.499 1.00 0.00 N ATOM 518 CA MET A 38 1.636 -6.618 -17.625 1.00 0.00 C ATOM 519 C MET A 38 2.758 -7.587 -17.266 1.00 0.00 C ATOM 520 O MET A 38 2.960 -8.596 -17.941 1.00 0.00 O ATOM 521 CB MET A 38 2.225 -5.274 -18.059 1.00 0.00 C ATOM 522 CG MET A 38 1.220 -4.361 -18.741 1.00 0.00 C ATOM 523 SD MET A 38 0.643 -5.018 -20.318 1.00 0.00 S ATOM 524 CE MET A 38 -1.131 -4.876 -20.115 1.00 0.00 C ATOM 0 H MET A 38 0.895 -5.584 -15.958 1.00 0.00 H new ATOM 0 HA MET A 38 1.067 -7.041 -18.453 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.630 -4.765 -17.184 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.059 -5.454 -18.738 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.366 -4.210 -18.081 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.675 -3.384 -18.903 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.630 -5.244 -21.011 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.447 -5.466 -19.255 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.396 -3.831 -19.955 1.00 0.00 H new ATOM 534 N SER A 39 3.486 -7.272 -16.199 1.00 0.00 N ATOM 535 CA SER A 39 4.591 -8.113 -15.753 1.00 0.00 C ATOM 536 C SER A 39 4.833 -7.943 -14.256 1.00 0.00 C ATOM 537 O SER A 39 4.401 -6.961 -13.653 1.00 0.00 O ATOM 538 CB SER A 39 5.865 -7.772 -16.528 1.00 0.00 C ATOM 539 OG SER A 39 5.954 -8.530 -17.722 1.00 0.00 O ATOM 0 H SER A 39 3.331 -6.441 -15.628 1.00 0.00 H new ATOM 0 HA SER A 39 4.324 -9.152 -15.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.875 -6.709 -16.767 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.737 -7.967 -15.904 1.00 0.00 H new ATOM 0 HG SER A 39 5.053 -8.735 -18.047 1.00 0.00 H new ATOM 545 N VAL A 40 5.526 -8.909 -13.661 1.00 0.00 N ATOM 546 CA VAL A 40 5.827 -8.868 -12.235 1.00 0.00 C ATOM 547 C VAL A 40 7.246 -9.351 -11.959 1.00 0.00 C ATOM 548 O VAL A 40 7.681 -10.372 -12.492 1.00 0.00 O ATOM 549 CB VAL A 40 4.837 -9.728 -11.428 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.543 -11.031 -12.156 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.381 -9.999 -10.033 1.00 0.00 C ATOM 0 H VAL A 40 5.890 -9.730 -14.145 1.00 0.00 H new ATOM 0 HA VAL A 40 5.733 -7.828 -11.921 1.00 0.00 H new ATOM 0 HB VAL A 40 3.902 -9.177 -11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.842 -11.625 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.107 -10.813 -13.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.469 -11.590 -12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.669 -10.608 -9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.330 -10.530 -10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.535 -9.054 -9.512 1.00 0.00 H new ATOM 561 N LYS A 41 7.964 -8.612 -11.121 1.00 0.00 N ATOM 562 CA LYS A 41 9.335 -8.964 -10.770 1.00 0.00 C ATOM 563 C LYS A 41 9.487 -9.124 -9.261 1.00 0.00 C ATOM 564 O LYS A 41 9.302 -8.170 -8.505 1.00 0.00 O ATOM 565 CB LYS A 41 10.305 -7.896 -11.281 1.00 0.00 C ATOM 566 CG LYS A 41 11.690 -8.433 -11.597 1.00 0.00 C ATOM 567 CD LYS A 41 12.671 -7.310 -11.887 1.00 0.00 C ATOM 568 CE LYS A 41 13.896 -7.818 -12.631 1.00 0.00 C ATOM 569 NZ LYS A 41 14.855 -6.720 -12.936 1.00 0.00 N ATOM 0 H LYS A 41 7.619 -7.764 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 41 9.571 -9.917 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.888 -7.438 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.392 -7.108 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.052 -9.025 -10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.635 -9.100 -12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.178 -6.539 -12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.980 -6.844 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.395 -8.580 -12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.584 -8.296 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.676 -7.107 -13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.387 -6.005 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.172 -6.280 -12.049 1.00 0.00 H new ATOM 583 N ILE A 42 9.825 -10.334 -8.830 1.00 0.00 N ATOM 584 CA ILE A 42 10.005 -10.617 -7.411 1.00 0.00 C ATOM 585 C ILE A 42 11.444 -10.362 -6.977 1.00 0.00 C ATOM 586 O ILE A 42 12.365 -11.057 -7.408 1.00 0.00 O ATOM 587 CB ILE A 42 9.629 -12.072 -7.075 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.329 -12.462 -7.781 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.494 -12.250 -5.570 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.092 -11.873 -7.139 1.00 0.00 C ATOM 0 H ILE A 42 9.980 -11.135 -9.443 1.00 0.00 H new ATOM 0 HA ILE A 42 9.341 -9.944 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 42 10.424 -12.728 -7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.378 -12.138 -8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.242 -13.548 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.228 -13.284 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.441 -12.008 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.716 -11.586 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.208 -12.191 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.018 -12.217 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.157 -10.785 -7.154 1.00 0.00 H new ATOM 602 N ILE A 43 11.630 -9.363 -6.121 1.00 0.00 N ATOM 603 CA ILE A 43 12.958 -9.019 -5.627 1.00 0.00 C ATOM 604 C ILE A 43 13.454 -10.052 -4.621 1.00 0.00 C ATOM 605 O ILE A 43 13.008 -10.081 -3.474 1.00 0.00 O ATOM 606 CB ILE A 43 12.969 -7.628 -4.965 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.636 -6.547 -5.995 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.322 -7.357 -4.324 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.235 -6.807 -7.360 1.00 0.00 C ATOM 0 H ILE A 43 10.879 -8.778 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 43 13.623 -9.007 -6.490 1.00 0.00 H new ATOM 0 HB ILE A 43 12.208 -7.607 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.553 -6.470 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.993 -5.585 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.314 -6.370 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.523 -8.113 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.100 -7.393 -5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.958 -6.000 -8.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.321 -6.855 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.859 -7.753 -7.748 1.00 0.00 H new ATOM 621 N ARG A 44 14.382 -10.897 -5.058 1.00 0.00 N ATOM 622 CA ARG A 44 14.941 -11.931 -4.196 1.00 0.00 C ATOM 623 C ARG A 44 16.459 -11.806 -4.109 1.00 0.00 C ATOM 624 O ARG A 44 17.101 -11.285 -5.020 1.00 0.00 O ATOM 625 CB ARG A 44 14.562 -13.319 -4.717 1.00 0.00 C ATOM 626 CG ARG A 44 13.110 -13.430 -5.153 1.00 0.00 C ATOM 627 CD ARG A 44 12.744 -14.863 -5.507 1.00 0.00 C ATOM 628 NE ARG A 44 13.063 -15.183 -6.896 1.00 0.00 N ATOM 629 CZ ARG A 44 12.709 -16.318 -7.489 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.028 -17.236 -6.818 1.00 0.00 N ATOM 631 NH2 ARG A 44 13.037 -16.535 -8.756 1.00 0.00 N ATOM 0 H ARG A 44 14.763 -10.886 -6.004 1.00 0.00 H new ATOM 0 HA ARG A 44 14.526 -11.799 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.206 -13.570 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.756 -14.056 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.460 -13.074 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.937 -12.785 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.277 -15.547 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.679 -15.018 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 44 13.586 -14.497 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.774 -17.072 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.758 -18.106 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.561 -15.830 -9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.765 -17.406 -9.211 1.00 0.00 H new ATOM 645 N ASN A 45 17.025 -12.285 -3.006 1.00 0.00 N ATOM 646 CA ASN A 45 18.468 -12.226 -2.800 1.00 0.00 C ATOM 647 C ASN A 45 19.179 -13.300 -3.616 1.00 0.00 C ATOM 648 O ASN A 45 18.557 -14.258 -4.076 1.00 0.00 O ATOM 649 CB ASN A 45 18.799 -12.394 -1.316 1.00 0.00 C ATOM 650 CG ASN A 45 20.054 -11.644 -0.914 1.00 0.00 C ATOM 651 OD1 ASN A 45 21.163 -12.014 -1.301 1.00 0.00 O ATOM 652 ND2 ASN A 45 19.884 -10.582 -0.135 1.00 0.00 N ATOM 0 H ASN A 45 16.507 -12.718 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 45 18.818 -11.250 -3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.960 -12.040 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.925 -13.453 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.691 -10.036 0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.946 -10.312 0.162 1.00 0.00 H new ATOM 659 N ARG A 46 20.486 -13.134 -3.792 1.00 0.00 N ATOM 660 CA ARG A 46 21.282 -14.089 -4.553 1.00 0.00 C ATOM 661 C ARG A 46 21.939 -15.109 -3.628 1.00 0.00 C ATOM 662 O ARG A 46 22.459 -16.130 -4.081 1.00 0.00 O ATOM 663 CB ARG A 46 22.352 -13.359 -5.367 1.00 0.00 C ATOM 664 CG ARG A 46 23.410 -12.680 -4.512 1.00 0.00 C ATOM 665 CD ARG A 46 23.983 -11.454 -5.205 1.00 0.00 C ATOM 666 NE ARG A 46 25.118 -11.789 -6.060 1.00 0.00 N ATOM 667 CZ ARG A 46 25.590 -10.984 -7.005 1.00 0.00 C ATOM 668 NH1 ARG A 46 25.026 -9.802 -7.215 1.00 0.00 N ATOM 669 NH2 ARG A 46 26.627 -11.359 -7.743 1.00 0.00 N ATOM 0 H ARG A 46 21.016 -12.347 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 46 20.615 -14.618 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.838 -14.071 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.870 -12.611 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.975 -12.389 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 46 24.212 -13.385 -4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.206 -10.980 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.296 -10.727 -4.455 1.00 0.00 H new ATOM 0 HE ARG A 46 25.574 -12.691 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.228 -9.510 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 46 25.390 -9.185 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.063 -12.267 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 46 26.988 -10.739 -8.468 1.00 0.00 H new ATOM 683 N LEU A 47 21.912 -14.826 -2.330 1.00 0.00 N ATOM 684 CA LEU A 47 22.505 -15.719 -1.340 1.00 0.00 C ATOM 685 C LEU A 47 21.436 -16.573 -0.667 1.00 0.00 C ATOM 686 O LEU A 47 21.536 -17.800 -0.634 1.00 0.00 O ATOM 687 CB LEU A 47 23.266 -14.910 -0.287 1.00 0.00 C ATOM 688 CG LEU A 47 24.741 -14.641 -0.584 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.545 -15.929 -0.505 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.900 -13.994 -1.952 1.00 0.00 C ATOM 0 H LEU A 47 21.486 -13.986 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 47 23.201 -16.381 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.761 -13.952 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.198 -15.436 0.665 1.00 0.00 H new ATOM 0 HG LEU A 47 25.123 -13.952 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.593 -15.718 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.458 -16.352 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.162 -16.642 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.957 -13.810 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.501 -14.659 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.357 -13.049 -1.973 1.00 0.00 H new ATOM 702 N THR A 48 20.411 -15.917 -0.133 1.00 0.00 N ATOM 703 CA THR A 48 19.322 -16.616 0.538 1.00 0.00 C ATOM 704 C THR A 48 18.227 -17.003 -0.448 1.00 0.00 C ATOM 705 O THR A 48 17.508 -17.980 -0.241 1.00 0.00 O ATOM 706 CB THR A 48 18.708 -15.756 1.659 1.00 0.00 C ATOM 707 OG1 THR A 48 17.826 -14.778 1.097 1.00 0.00 O ATOM 708 CG2 THR A 48 19.795 -15.062 2.466 1.00 0.00 C ATOM 0 H THR A 48 20.312 -14.902 -0.152 1.00 0.00 H new ATOM 0 HA THR A 48 19.748 -17.519 0.976 1.00 0.00 H new ATOM 0 HB THR A 48 18.147 -16.412 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.438 -14.236 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.337 -14.461 3.251 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.448 -15.810 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.380 -14.417 1.810 1.00 0.00 H new ATOM 716 N GLY A 49 18.105 -16.231 -1.524 1.00 0.00 N ATOM 717 CA GLY A 49 17.094 -16.510 -2.527 1.00 0.00 C ATOM 718 C GLY A 49 15.704 -16.109 -2.077 1.00 0.00 C ATOM 719 O GLY A 49 14.743 -16.216 -2.839 1.00 0.00 O ATOM 0 H GLY A 49 18.688 -15.417 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.342 -15.979 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.104 -17.574 -2.762 1.00 0.00 H new ATOM 723 N ILE A 50 15.596 -15.649 -0.835 1.00 0.00 N ATOM 724 CA ILE A 50 14.312 -15.232 -0.285 1.00 0.00 C ATOM 725 C ILE A 50 13.912 -13.856 -0.806 1.00 0.00 C ATOM 726 O ILE A 50 14.730 -12.942 -0.910 1.00 0.00 O ATOM 727 CB ILE A 50 14.344 -15.196 1.255 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.675 -16.582 1.812 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.012 -14.704 1.801 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.757 -16.623 3.322 1.00 0.00 C ATOM 0 H ILE A 50 16.382 -15.556 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 50 13.576 -15.968 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 50 15.123 -14.502 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.916 -17.290 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.626 -16.914 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.050 -14.684 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.814 -13.700 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.216 -15.375 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.995 -17.636 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.536 -15.941 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.799 -16.322 3.747 1.00 0.00 H new ATOM 742 N PRO A 51 12.622 -13.701 -1.139 1.00 0.00 N ATOM 743 CA PRO A 51 12.082 -12.439 -1.652 1.00 0.00 C ATOM 744 C PRO A 51 12.038 -11.351 -0.585 1.00 0.00 C ATOM 745 O PRO A 51 11.392 -11.510 0.451 1.00 0.00 O ATOM 746 CB PRO A 51 10.665 -12.812 -2.095 1.00 0.00 C ATOM 747 CG PRO A 51 10.308 -13.994 -1.262 1.00 0.00 C ATOM 748 CD PRO A 51 11.590 -14.748 -1.040 1.00 0.00 C ATOM 0 HA PRO A 51 12.698 -12.028 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.970 -11.988 -1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.632 -13.052 -3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.868 -13.684 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.571 -14.618 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.605 -15.237 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.734 -15.526 -1.789 1.00 0.00 H new ATOM 756 N ALA A 52 12.728 -10.245 -0.844 1.00 0.00 N ATOM 757 CA ALA A 52 12.765 -9.130 0.094 1.00 0.00 C ATOM 758 C ALA A 52 11.407 -8.925 0.757 1.00 0.00 C ATOM 759 O ALA A 52 11.324 -8.452 1.889 1.00 0.00 O ATOM 760 CB ALA A 52 13.205 -7.858 -0.616 1.00 0.00 C ATOM 0 H ALA A 52 13.269 -10.097 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 52 13.489 -9.367 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.228 -7.033 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.200 -8.002 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.502 -7.626 -1.416 1.00 0.00 H new ATOM 766 N GLY A 53 10.345 -9.284 0.043 1.00 0.00 N ATOM 767 CA GLY A 53 9.005 -9.131 0.579 1.00 0.00 C ATOM 768 C GLY A 53 8.149 -8.201 -0.258 1.00 0.00 C ATOM 769 O GLY A 53 7.039 -7.844 0.138 1.00 0.00 O ATOM 0 H GLY A 53 10.388 -9.678 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.526 -10.108 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.066 -8.746 1.597 1.00 0.00 H new ATOM 773 N TYR A 54 8.666 -7.805 -1.415 1.00 0.00 N ATOM 774 CA TYR A 54 7.943 -6.906 -2.308 1.00 0.00 C ATOM 775 C TYR A 54 8.253 -7.223 -3.768 1.00 0.00 C ATOM 776 O TYR A 54 9.307 -7.776 -4.084 1.00 0.00 O ATOM 777 CB TYR A 54 8.303 -5.451 -2.002 1.00 0.00 C ATOM 778 CG TYR A 54 9.726 -5.091 -2.364 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.779 -5.391 -1.508 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.018 -4.450 -3.562 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.081 -5.063 -1.834 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.317 -4.120 -3.897 1.00 0.00 C ATOM 783 CZ TYR A 54 12.345 -4.428 -3.030 1.00 0.00 C ATOM 784 OH TYR A 54 13.640 -4.099 -3.359 1.00 0.00 O ATOM 0 H TYR A 54 9.583 -8.092 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 54 6.875 -7.051 -2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.622 -4.795 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.148 -5.263 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.576 -5.889 -0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.216 -4.206 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.887 -5.302 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.527 -3.623 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 54 13.653 -3.658 -4.234 1.00 0.00 H new ATOM 794 N CYS A 55 7.328 -6.867 -4.652 1.00 0.00 N ATOM 795 CA CYS A 55 7.501 -7.113 -6.080 1.00 0.00 C ATOM 796 C CYS A 55 7.012 -5.923 -6.899 1.00 0.00 C ATOM 797 O CYS A 55 6.136 -5.175 -6.465 1.00 0.00 O ATOM 798 CB CYS A 55 6.748 -8.377 -6.496 1.00 0.00 C ATOM 799 SG CYS A 55 4.971 -8.136 -6.728 1.00 0.00 S ATOM 0 H CYS A 55 6.451 -6.408 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 55 8.565 -7.252 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.177 -8.753 -7.425 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.904 -9.145 -5.739 1.00 0.00 H new ATOM 0 HG CYS A 55 4.754 -7.601 -7.893 1.00 0.00 H new ATOM 805 N PHE A 56 7.586 -5.752 -8.085 1.00 0.00 N ATOM 806 CA PHE A 56 7.211 -4.651 -8.965 1.00 0.00 C ATOM 807 C PHE A 56 6.253 -5.127 -10.053 1.00 0.00 C ATOM 808 O PHE A 56 6.458 -6.178 -10.661 1.00 0.00 O ATOM 809 CB PHE A 56 8.457 -4.032 -9.602 1.00 0.00 C ATOM 810 CG PHE A 56 9.327 -3.295 -8.624 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.940 -2.061 -8.126 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.531 -3.835 -8.203 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.738 -1.380 -7.225 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.332 -3.159 -7.302 1.00 0.00 C ATOM 815 CZ PHE A 56 10.936 -1.930 -6.814 1.00 0.00 C ATOM 0 H PHE A 56 8.313 -6.362 -8.459 1.00 0.00 H new ATOM 0 HA PHE A 56 6.705 -3.895 -8.365 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.043 -4.820 -10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.149 -3.346 -10.391 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.004 -1.626 -8.445 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.847 -4.795 -8.583 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.425 -0.419 -6.843 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.267 -3.592 -6.980 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.562 -1.400 -6.112 1.00 0.00 H new ATOM 825 N VAL A 57 5.205 -4.345 -10.294 1.00 0.00 N ATOM 826 CA VAL A 57 4.215 -4.684 -11.308 1.00 0.00 C ATOM 827 C VAL A 57 4.206 -3.655 -12.434 1.00 0.00 C ATOM 828 O VAL A 57 4.153 -2.451 -12.186 1.00 0.00 O ATOM 829 CB VAL A 57 2.802 -4.779 -10.704 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.495 -6.209 -10.284 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.661 -3.827 -9.526 1.00 0.00 C ATOM 0 H VAL A 57 5.020 -3.472 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 57 4.496 -5.657 -11.711 1.00 0.00 H new ATOM 0 HB VAL A 57 2.080 -4.487 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.492 -6.256 -9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.552 -6.864 -11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.221 -6.533 -9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.656 -3.907 -9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.392 -4.086 -8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.834 -2.805 -9.862 1.00 0.00 H new ATOM 841 N GLU A 58 4.259 -4.139 -13.671 1.00 0.00 N ATOM 842 CA GLU A 58 4.257 -3.261 -14.835 1.00 0.00 C ATOM 843 C GLU A 58 2.846 -3.099 -15.393 1.00 0.00 C ATOM 844 O GLU A 58 1.996 -3.975 -15.225 1.00 0.00 O ATOM 845 CB GLU A 58 5.186 -3.811 -15.918 1.00 0.00 C ATOM 846 CG GLU A 58 5.589 -2.778 -16.957 1.00 0.00 C ATOM 847 CD GLU A 58 6.897 -3.121 -17.644 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.223 -4.323 -17.733 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.593 -2.187 -18.094 1.00 0.00 O ATOM 0 H GLU A 58 4.304 -5.134 -13.893 1.00 0.00 H new ATOM 0 HA GLU A 58 4.618 -2.282 -14.520 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.084 -4.209 -15.446 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.693 -4.644 -16.419 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.801 -2.694 -17.705 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.679 -1.803 -16.478 1.00 0.00 H new ATOM 856 N PHE A 59 2.604 -1.974 -16.056 1.00 0.00 N ATOM 857 CA PHE A 59 1.296 -1.696 -16.638 1.00 0.00 C ATOM 858 C PHE A 59 1.436 -0.945 -17.959 1.00 0.00 C ATOM 859 O PHE A 59 2.543 -0.604 -18.376 1.00 0.00 O ATOM 860 CB PHE A 59 0.443 -0.882 -15.663 1.00 0.00 C ATOM 861 CG PHE A 59 -0.098 -1.691 -14.519 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.324 -2.327 -14.622 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.621 -1.816 -13.341 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.824 -3.072 -13.570 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.126 -2.560 -12.286 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.097 -3.189 -12.402 1.00 0.00 C ATOM 0 H PHE A 59 3.296 -1.240 -16.204 1.00 0.00 H new ATOM 0 HA PHE A 59 0.803 -2.649 -16.833 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.042 -0.062 -15.266 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.389 -0.435 -16.207 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.896 -2.240 -15.534 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.579 -1.327 -13.246 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.782 -3.562 -13.662 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.695 -2.649 -11.373 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.485 -3.772 -11.580 1.00 0.00 H new ATOM 876 N ALA A 60 0.307 -0.690 -18.611 1.00 0.00 N ATOM 877 CA ALA A 60 0.303 0.022 -19.883 1.00 0.00 C ATOM 878 C ALA A 60 1.022 1.361 -19.765 1.00 0.00 C ATOM 879 O ALA A 60 1.928 1.661 -20.543 1.00 0.00 O ATOM 880 CB ALA A 60 -1.124 0.228 -20.368 1.00 0.00 C ATOM 0 H ALA A 60 -0.617 -0.966 -18.279 1.00 0.00 H new ATOM 0 HA ALA A 60 0.839 -0.585 -20.613 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.112 0.761 -21.319 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.606 -0.740 -20.501 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.678 0.811 -19.632 1.00 0.00 H new ATOM 886 N ASP A 61 0.614 2.162 -18.787 1.00 0.00 N ATOM 887 CA ASP A 61 1.220 3.470 -18.567 1.00 0.00 C ATOM 888 C ASP A 61 0.969 3.952 -17.141 1.00 0.00 C ATOM 889 O ASP A 61 0.208 3.339 -16.392 1.00 0.00 O ATOM 890 CB ASP A 61 0.667 4.487 -19.567 1.00 0.00 C ATOM 891 CG ASP A 61 0.510 3.905 -20.958 1.00 0.00 C ATOM 892 OD1 ASP A 61 -0.543 3.291 -21.228 1.00 0.00 O ATOM 893 OD2 ASP A 61 1.441 4.063 -21.776 1.00 0.00 O ATOM 0 H ASP A 61 -0.134 1.929 -18.134 1.00 0.00 H new ATOM 0 HA ASP A 61 2.296 3.374 -18.715 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.300 4.848 -19.216 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.333 5.349 -19.610 1.00 0.00 H new ATOM 898 N LEU A 62 1.615 5.053 -16.773 1.00 0.00 N ATOM 899 CA LEU A 62 1.464 5.617 -15.436 1.00 0.00 C ATOM 900 C LEU A 62 -0.004 5.892 -15.124 1.00 0.00 C ATOM 901 O LEU A 62 -0.526 5.446 -14.103 1.00 0.00 O ATOM 902 CB LEU A 62 2.274 6.908 -15.311 1.00 0.00 C ATOM 903 CG LEU A 62 2.149 7.653 -13.982 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.822 6.870 -12.865 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.748 9.048 -14.093 1.00 0.00 C ATOM 0 H LEU A 62 2.248 5.573 -17.381 1.00 0.00 H new ATOM 0 HA LEU A 62 1.839 4.889 -14.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.325 6.671 -15.474 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.971 7.582 -16.112 1.00 0.00 H new ATOM 0 HG LEU A 62 1.090 7.752 -13.742 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.723 7.416 -11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.348 5.893 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.879 6.739 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.650 9.563 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.803 8.971 -14.357 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.221 9.610 -14.864 1.00 0.00 H new ATOM 917 N ALA A 63 -0.664 6.629 -16.012 1.00 0.00 N ATOM 918 CA ALA A 63 -2.072 6.960 -15.834 1.00 0.00 C ATOM 919 C ALA A 63 -2.858 5.758 -15.322 1.00 0.00 C ATOM 920 O ALA A 63 -3.507 5.825 -14.278 1.00 0.00 O ATOM 921 CB ALA A 63 -2.665 7.464 -17.141 1.00 0.00 C ATOM 0 H ALA A 63 -0.246 7.008 -16.862 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.142 7.751 -15.087 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.717 7.707 -16.993 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.128 8.356 -17.464 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.575 6.690 -17.904 1.00 0.00 H new ATOM 927 N THR A 64 -2.798 4.657 -16.065 1.00 0.00 N ATOM 928 CA THR A 64 -3.505 3.440 -15.688 1.00 0.00 C ATOM 929 C THR A 64 -3.055 2.944 -14.319 1.00 0.00 C ATOM 930 O THR A 64 -3.875 2.560 -13.487 1.00 0.00 O ATOM 931 CB THR A 64 -3.289 2.321 -16.724 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.828 2.715 -17.991 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.947 1.027 -16.268 1.00 0.00 C ATOM 0 H THR A 64 -2.266 4.584 -16.932 1.00 0.00 H new ATOM 0 HA THR A 64 -4.565 3.690 -15.650 1.00 0.00 H new ATOM 0 HB THR A 64 -2.217 2.150 -16.823 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.685 1.999 -18.644 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.781 0.251 -17.016 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.514 0.714 -15.318 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.018 1.188 -16.143 1.00 0.00 H new ATOM 941 N ALA A 65 -1.745 2.956 -14.092 1.00 0.00 N ATOM 942 CA ALA A 65 -1.186 2.510 -12.822 1.00 0.00 C ATOM 943 C ALA A 65 -1.863 3.209 -11.648 1.00 0.00 C ATOM 944 O ALA A 65 -2.181 2.580 -10.640 1.00 0.00 O ATOM 945 CB ALA A 65 0.315 2.755 -12.791 1.00 0.00 C ATOM 0 H ALA A 65 -1.052 3.270 -14.771 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.370 1.440 -12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.719 2.417 -11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.790 2.204 -13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.512 3.820 -12.912 1.00 0.00 H new ATOM 951 N GLU A 66 -2.078 4.514 -11.787 1.00 0.00 N ATOM 952 CA GLU A 66 -2.716 5.298 -10.736 1.00 0.00 C ATOM 953 C GLU A 66 -4.096 4.740 -10.402 1.00 0.00 C ATOM 954 O GLU A 66 -4.319 4.213 -9.312 1.00 0.00 O ATOM 955 CB GLU A 66 -2.835 6.762 -11.163 1.00 0.00 C ATOM 956 CG GLU A 66 -1.621 7.602 -10.803 1.00 0.00 C ATOM 957 CD GLU A 66 -0.595 7.654 -11.919 1.00 0.00 C ATOM 958 OE1 GLU A 66 0.109 6.642 -12.124 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.496 8.704 -12.586 1.00 0.00 O ATOM 0 H GLU A 66 -1.820 5.050 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.093 5.237 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.990 6.806 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.719 7.197 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.943 8.615 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.156 7.195 -9.905 1.00 0.00 H new ATOM 966 N LYS A 67 -5.021 4.861 -11.349 1.00 0.00 N ATOM 967 CA LYS A 67 -6.380 4.369 -11.158 1.00 0.00 C ATOM 968 C LYS A 67 -6.373 2.919 -10.686 1.00 0.00 C ATOM 969 O LYS A 67 -7.153 2.536 -9.812 1.00 0.00 O ATOM 970 CB LYS A 67 -7.175 4.489 -12.460 1.00 0.00 C ATOM 971 CG LYS A 67 -7.179 5.891 -13.044 1.00 0.00 C ATOM 972 CD LYS A 67 -7.269 5.863 -14.560 1.00 0.00 C ATOM 973 CE LYS A 67 -8.710 5.730 -15.031 1.00 0.00 C ATOM 974 NZ LYS A 67 -9.380 7.055 -15.148 1.00 0.00 N ATOM 0 H LYS A 67 -4.854 5.296 -12.256 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.856 4.980 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.759 3.800 -13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.204 4.178 -12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.021 6.452 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.272 6.415 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.835 6.776 -14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.681 5.030 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.731 5.226 -15.997 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.264 5.103 -14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.359 6.921 -15.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.383 7.526 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.866 7.644 -15.834 1.00 0.00 H new ATOM 988 N CYS A 68 -5.488 2.117 -11.267 1.00 0.00 N ATOM 989 CA CYS A 68 -5.379 0.708 -10.905 1.00 0.00 C ATOM 990 C CYS A 68 -4.763 0.549 -9.518 1.00 0.00 C ATOM 991 O CYS A 68 -4.842 -0.520 -8.911 1.00 0.00 O ATOM 992 CB CYS A 68 -4.538 -0.042 -11.939 1.00 0.00 C ATOM 993 SG CYS A 68 -5.449 -0.520 -13.425 1.00 0.00 S ATOM 0 H CYS A 68 -4.835 2.418 -11.991 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.383 0.284 -10.888 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.694 0.584 -12.229 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.125 -0.938 -11.475 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.476 -1.816 -13.519 1.00 0.00 H new ATOM 999 N LEU A 69 -4.149 1.618 -9.024 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.518 1.598 -7.709 1.00 0.00 C ATOM 1001 C LEU A 69 -4.474 2.110 -6.637 1.00 0.00 C ATOM 1002 O LEU A 69 -4.394 1.711 -5.475 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.244 2.445 -7.719 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.799 3.005 -6.368 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.995 1.968 -5.600 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.987 4.277 -6.559 1.00 0.00 C ATOM 0 H LEU A 69 -4.075 2.510 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.259 0.566 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.433 1.840 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.392 3.279 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.688 3.250 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.687 2.384 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.609 1.083 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.112 1.692 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.679 4.661 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.104 4.058 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.596 5.024 -7.068 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.381 2.997 -7.036 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.356 3.562 -6.110 1.00 0.00 C ATOM 1020 C HIS A 70 -7.566 2.644 -5.967 1.00 0.00 C ATOM 1021 O HIS A 70 -8.381 2.810 -5.060 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.804 4.944 -6.589 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.730 5.984 -6.502 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.425 6.655 -5.337 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.887 6.467 -7.445 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.441 7.507 -5.567 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -4.097 7.412 -6.838 1.00 0.00 N ATOM 0 H HIS A 70 -5.461 3.339 -7.993 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.879 3.660 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.143 4.869 -7.622 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.659 5.266 -5.995 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.844 6.165 -8.481 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.994 8.168 -4.839 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.363 7.953 -7.295 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.677 1.675 -6.870 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.787 0.729 -6.845 1.00 0.00 C ATOM 1037 C LYS A 71 -8.468 -0.461 -5.945 1.00 0.00 C ATOM 1038 O LYS A 71 -9.363 -1.202 -5.540 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.100 0.242 -8.261 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.935 -0.463 -8.934 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.934 -1.952 -8.631 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.022 -2.679 -9.406 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.047 -4.135 -9.095 1.00 0.00 N ATOM 0 H LYS A 71 -7.012 1.524 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.660 1.242 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.951 -0.437 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.399 1.094 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.990 -0.310 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.997 -0.021 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.962 -2.375 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.082 -2.107 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.991 -2.240 -9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.862 -2.539 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.613 -4.633 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.076 -4.508 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.469 -4.282 -8.156 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.187 -0.636 -5.636 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.752 -1.734 -4.782 1.00 0.00 C ATOM 1059 C ILE A 72 -5.926 -1.222 -3.607 1.00 0.00 C ATOM 1060 O ILE A 72 -5.505 -1.995 -2.747 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.920 -2.764 -5.570 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.184 -2.081 -6.724 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.814 -3.879 -6.090 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.436 -3.046 -7.618 1.00 0.00 C ATOM 0 H ILE A 72 -6.433 -0.032 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.653 -2.218 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.179 -3.201 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.903 -1.525 -7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.480 -1.355 -6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.212 -4.599 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.297 -4.380 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.575 -3.459 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.938 -2.493 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.693 -3.585 -7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.138 -3.757 -8.054 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.698 0.087 -3.576 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.923 0.703 -2.505 1.00 0.00 C ATOM 1078 C ASN A 73 -5.717 0.726 -1.203 1.00 0.00 C ATOM 1079 O ASN A 73 -6.326 1.735 -0.852 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.519 2.127 -2.894 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.291 3.013 -1.685 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.091 3.902 -1.393 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.194 2.775 -0.975 1.00 0.00 N ATOM 0 H ASN A 73 -6.039 0.742 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.024 0.106 -2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.609 2.093 -3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.297 2.564 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.987 3.340 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.558 2.027 -1.254 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.705 -0.396 -0.489 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.427 -0.484 0.767 1.00 0.00 C ATOM 1092 C GLY A 74 -7.420 -1.630 0.786 1.00 0.00 C ATOM 1093 O GLY A 74 -7.968 -1.969 1.835 1.00 0.00 O ATOM 0 H GLY A 74 -5.208 -1.245 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.716 -0.610 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.955 0.453 0.946 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.654 -2.227 -0.378 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.588 -3.340 -0.492 1.00 0.00 C ATOM 1099 C LYS A 75 -7.942 -4.643 -0.031 1.00 0.00 C ATOM 1100 O LYS A 75 -6.718 -4.775 0.011 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.070 -3.482 -1.938 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.285 -2.630 -2.260 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.550 -3.208 -1.650 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.761 -2.337 -1.947 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.340 -2.629 -3.287 1.00 0.00 N ATOM 0 H LYS A 75 -7.209 -1.958 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.443 -3.131 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.257 -3.210 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.308 -4.528 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.130 -1.618 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.402 -2.556 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.718 -4.212 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.425 -3.303 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.520 -2.497 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.474 -1.287 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.163 -2.015 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.624 -2.452 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.638 -3.625 -3.327 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.780 -5.628 0.323 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.312 -6.938 0.785 1.00 0.00 C ATOM 1121 C PRO A 76 -7.671 -7.752 -0.333 1.00 0.00 C ATOM 1122 O PRO A 76 -8.182 -7.799 -1.453 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.592 -7.619 1.276 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.688 -6.962 0.510 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.250 -5.539 0.297 1.00 0.00 C ATOM 0 HA PRO A 76 -7.540 -6.849 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.566 -8.692 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.724 -7.486 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.855 -7.466 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.628 -7.003 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.612 -5.145 -0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.627 -4.881 1.080 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.549 -8.392 -0.023 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.837 -9.206 -1.002 1.00 0.00 C ATOM 1135 C LEU A 77 -6.394 -10.625 -1.040 1.00 0.00 C ATOM 1136 O LEU A 77 -6.370 -11.355 -0.048 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.343 -9.242 -0.676 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.533 -10.348 -1.354 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.771 -10.339 -2.856 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.052 -10.190 -1.045 1.00 0.00 C ATOM 0 H LEU A 77 -6.113 -8.363 0.898 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.978 -8.754 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.909 -8.281 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.230 -9.346 0.403 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.865 -11.309 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.187 -11.133 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.830 -10.502 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.467 -9.376 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.491 -10.986 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.705 -9.223 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.897 -10.248 0.032 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.908 -11.029 -2.211 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.479 -12.365 -2.407 1.00 0.00 C ATOM 1154 C PRO A 78 -6.416 -13.459 -2.384 1.00 0.00 C ATOM 1155 O PRO A 78 -5.268 -13.230 -2.763 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.124 -12.276 -3.792 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.365 -11.204 -4.495 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.970 -10.213 -3.435 1.00 0.00 C ATOM 0 HA PRO A 78 -8.177 -12.630 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.053 -13.225 -4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.183 -12.029 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.486 -11.612 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.978 -10.731 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.009 -9.748 -3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.700 -9.408 -3.345 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.807 -14.648 -1.937 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.876 -15.760 -1.873 1.00 0.00 C ATOM 1168 C GLY A 79 -5.072 -15.769 -0.588 1.00 0.00 C ATOM 1169 O GLY A 79 -4.902 -16.815 0.038 1.00 0.00 O ATOM 0 H GLY A 79 -7.752 -14.862 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.427 -16.697 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.196 -15.710 -2.723 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.574 -14.602 -0.195 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.784 -14.480 1.024 1.00 0.00 C ATOM 1175 C ALA A 80 -4.305 -15.413 2.112 1.00 0.00 C ATOM 1176 O ALA A 80 -5.488 -15.754 2.139 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.789 -13.040 1.515 1.00 0.00 C ATOM 0 H ALA A 80 -4.703 -13.727 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.759 -14.770 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.195 -12.964 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.362 -12.393 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.813 -12.730 1.723 1.00 0.00 H new ATOM 1183 N THR A 81 -3.413 -15.826 3.008 1.00 0.00 N ATOM 1184 CA THR A 81 -3.782 -16.722 4.096 1.00 0.00 C ATOM 1185 C THR A 81 -3.089 -16.324 5.394 1.00 0.00 C ATOM 1186 O THR A 81 -1.865 -16.203 5.461 1.00 0.00 O ATOM 1187 CB THR A 81 -3.428 -18.184 3.765 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.181 -18.625 2.630 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.712 -19.091 4.953 1.00 0.00 C ATOM 0 H THR A 81 -2.430 -15.554 3.001 1.00 0.00 H new ATOM 0 HA THR A 81 -4.861 -16.638 4.223 1.00 0.00 H new ATOM 0 HB THR A 81 -2.364 -18.235 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.949 -19.555 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.454 -20.118 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.115 -18.770 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.770 -19.035 5.209 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.886 -16.117 6.453 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.344 -16.258 6.385 1.00 0.00 C ATOM 1199 C PRO A 82 -5.995 -15.157 5.555 1.00 0.00 C ATOM 1200 O PRO A 82 -6.868 -15.423 4.730 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.778 -16.152 7.849 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.700 -15.364 8.509 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.426 -15.728 7.797 1.00 0.00 C ATOM 0 HA PRO A 82 -5.642 -17.190 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.744 -15.655 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.882 -17.137 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.897 -14.295 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.636 -15.603 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.734 -14.887 7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.906 -16.546 8.296 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.564 -13.920 5.780 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.103 -12.779 5.050 1.00 0.00 C ATOM 1213 C ALA A 83 -5.169 -11.577 5.142 1.00 0.00 C ATOM 1214 O ALA A 83 -4.728 -11.201 6.229 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.483 -12.419 5.580 1.00 0.00 C ATOM 0 H ALA A 83 -4.843 -13.683 6.462 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.190 -13.059 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.874 -11.565 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.153 -13.270 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.411 -12.164 6.637 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.870 -10.978 3.995 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.988 -9.817 3.944 1.00 0.00 C ATOM 1223 C LYS A 84 -4.631 -8.679 3.158 1.00 0.00 C ATOM 1224 O LYS A 84 -5.678 -8.857 2.535 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.648 -10.197 3.310 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.861 -11.216 4.116 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.654 -11.725 3.344 1.00 0.00 C ATOM 1228 CE LYS A 84 0.537 -10.791 3.494 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.718 -11.271 2.724 1.00 0.00 N ATOM 0 H LYS A 84 -5.226 -11.277 3.087 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.816 -9.477 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.828 -10.596 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.045 -9.297 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.532 -10.765 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.508 -12.054 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.385 -12.719 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.910 -11.823 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.262 -9.793 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.801 -10.705 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.527 -11.389 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.494 -12.184 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.959 -10.576 1.988 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.996 -7.512 3.190 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.506 -6.345 2.480 1.00 0.00 C ATOM 1245 C ARG A 85 -3.627 -6.013 1.278 1.00 0.00 C ATOM 1246 O ARG A 85 -2.522 -6.537 1.140 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.579 -5.141 3.420 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.636 -4.123 3.025 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.189 -3.394 4.240 1.00 0.00 C ATOM 1250 NE ARG A 85 -6.616 -2.036 3.916 1.00 0.00 N ATOM 1251 CZ ARG A 85 -7.490 -1.347 4.642 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -8.026 -1.887 5.728 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -7.829 -0.115 4.282 1.00 0.00 N ATOM 0 H ARG A 85 -3.128 -7.349 3.700 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.509 -6.579 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.785 -5.492 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.606 -4.651 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.206 -3.401 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.448 -4.625 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.033 -3.953 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.427 -3.358 5.019 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.222 -1.592 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.768 -2.833 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.697 -1.356 6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.418 0.304 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.500 0.413 4.840 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.127 -5.140 0.409 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.388 -4.739 -0.782 1.00 0.00 C ATOM 1269 C PHE A 86 -2.469 -3.559 -0.481 1.00 0.00 C ATOM 1270 O PHE A 86 -2.922 -2.421 -0.352 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.356 -4.372 -1.909 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.694 -5.527 -2.808 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.712 -6.142 -3.567 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.995 -5.997 -2.894 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.021 -7.204 -4.396 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.310 -7.059 -3.721 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.321 -7.664 -4.472 1.00 0.00 C ATOM 0 H PHE A 86 -5.041 -4.697 0.508 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.775 -5.582 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.275 -3.979 -1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.919 -3.572 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.693 -5.788 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.772 -5.528 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.246 -7.674 -4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.328 -7.415 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.564 -8.495 -5.117 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.175 -3.838 -0.370 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.190 -2.801 -0.085 1.00 0.00 C ATOM 1289 C LYS A 87 0.496 -2.335 -1.365 1.00 0.00 C ATOM 1290 O LYS A 87 1.419 -2.983 -1.858 1.00 0.00 O ATOM 1291 CB LYS A 87 0.854 -3.319 0.907 1.00 0.00 C ATOM 1292 CG LYS A 87 1.522 -2.222 1.717 1.00 0.00 C ATOM 1293 CD LYS A 87 2.548 -2.788 2.684 1.00 0.00 C ATOM 1294 CE LYS A 87 3.220 -1.687 3.491 1.00 0.00 C ATOM 1295 NZ LYS A 87 2.439 -1.339 4.711 1.00 0.00 N ATOM 0 H LYS A 87 -0.783 -4.774 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.711 -1.952 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.377 -4.023 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.618 -3.872 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.007 -1.515 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.766 -1.666 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.063 -3.492 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.302 -3.347 2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.221 -2.007 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.336 -0.800 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.929 -0.585 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.492 -1.009 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.350 -2.179 5.317 1.00 0.00 H new ATOM 1309 N LEU A 88 0.040 -1.207 -1.898 1.00 0.00 N ATOM 1310 CA LEU A 88 0.611 -0.653 -3.120 1.00 0.00 C ATOM 1311 C LEU A 88 1.014 0.805 -2.921 1.00 0.00 C ATOM 1312 O LEU A 88 0.405 1.526 -2.132 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.392 -0.763 -4.271 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.152 -2.086 -4.373 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.137 -2.047 -5.531 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.183 -3.248 -4.533 1.00 0.00 C ATOM 0 H LEU A 88 -0.724 -0.658 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 88 1.504 -1.228 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.118 0.044 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.141 -0.600 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.713 -2.233 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.669 -2.997 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.852 -1.240 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.597 -1.877 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.742 -4.181 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.406 -3.108 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.482 -3.288 -3.670 1.00 0.00 H new ATOM 1328 N ASN A 89 2.045 1.232 -3.644 1.00 0.00 N ATOM 1329 CA ASN A 89 2.529 2.605 -3.548 1.00 0.00 C ATOM 1330 C ASN A 89 3.235 3.024 -4.833 1.00 0.00 C ATOM 1331 O ASN A 89 3.521 2.193 -5.696 1.00 0.00 O ATOM 1332 CB ASN A 89 3.481 2.750 -2.359 1.00 0.00 C ATOM 1333 CG ASN A 89 2.753 3.088 -1.073 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.604 2.244 -0.189 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.294 4.330 -0.962 1.00 0.00 N ATOM 0 H ASN A 89 2.561 0.648 -4.302 1.00 0.00 H new ATOM 0 HA ASN A 89 1.669 3.257 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.036 1.821 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.212 3.529 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.796 4.616 -0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.440 4.997 -1.720 1.00 0.00 H new ATOM 1342 N TYR A 90 3.514 4.317 -4.954 1.00 0.00 N ATOM 1343 CA TYR A 90 4.186 4.847 -6.134 1.00 0.00 C ATOM 1344 C TYR A 90 5.615 4.323 -6.230 1.00 0.00 C ATOM 1345 O TYR A 90 6.360 4.336 -5.250 1.00 0.00 O ATOM 1346 CB TYR A 90 4.192 6.376 -6.100 1.00 0.00 C ATOM 1347 CG TYR A 90 2.891 6.998 -6.554 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.247 6.548 -7.700 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.307 8.036 -5.839 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.058 7.113 -8.120 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.118 8.606 -6.251 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.498 8.142 -7.392 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.686 8.708 -7.806 1.00 0.00 O ATOM 0 H TYR A 90 3.285 5.018 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 90 3.637 4.512 -7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.408 6.707 -5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.000 6.742 -6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.683 5.743 -8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.791 8.404 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.570 6.751 -9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.676 9.411 -5.682 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.945 9.418 -7.182 1.00 0.00 H new ATOM 1363 N ALA A 91 5.992 3.863 -7.418 1.00 0.00 N ATOM 1364 CA ALA A 91 7.333 3.337 -7.644 1.00 0.00 C ATOM 1365 C ALA A 91 8.395 4.305 -7.135 1.00 0.00 C ATOM 1366 O ALA A 91 9.532 3.912 -6.868 1.00 0.00 O ATOM 1367 CB ALA A 91 7.544 3.048 -9.123 1.00 0.00 C ATOM 0 H ALA A 91 5.388 3.844 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 91 7.431 2.406 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.549 2.656 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.812 2.313 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.422 3.968 -9.695 1.00 0.00 H new