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= -0.383 X(o=-0.39,f=0.067) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc=-0.00658 USER MOD Single : A 11 SER OG : rot 180:sc= -0.18 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -147:sc= 0.0765 USER MOD Single : A 21 MET CE :methyl -127:sc= -0.96 (180deg=-2.01) USER MOD Single : A 24 ASN : amide:sc= -0.0215 K(o=-0.021,f=-1.4) USER MOD Single : A 27 SER OG : rot -6:sc= 0.438 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.657 USER MOD Single : A 33 MET CE :methyl 172:sc= -0.387 (180deg=-0.492) 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 18:sc= 0.592 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.3 K(o=0.3,f=-9.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 55 CYS SG : rot 80:sc= -2.84 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 -130:sc= -1.27 USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= -2.86! (180deg=-4.06!) USER MOD Single : A 73 ASN : amide:sc= -1.42! C(o=-1.4!,f=-1.9!) 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 84 LYS NZ :NH3+ 140:sc= -0.239 (180deg=-2.24!) USER MOD Single : A 87 LYS NZ :NH3+ -118:sc= 0.0354 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 7.986 4.130 -14.522 1.00 0.00 N ATOM 84 CA ALA A 9 6.966 5.169 -14.596 1.00 0.00 C ATOM 85 C ALA A 9 5.567 4.564 -14.628 1.00 0.00 C ATOM 86 O ALA A 9 4.639 5.090 -14.014 1.00 0.00 O ATOM 87 CB ALA A 9 7.193 6.045 -15.819 1.00 0.00 C ATOM 0 HA ALA A 9 7.046 5.786 -13.701 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.424 6.816 -15.862 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.175 6.514 -15.753 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.143 5.433 -16.719 1.00 0.00 H new ATOM 93 N ALA A 10 5.422 3.457 -15.348 1.00 0.00 N ATOM 94 CA ALA A 10 4.136 2.780 -15.459 1.00 0.00 C ATOM 95 C ALA A 10 4.087 1.545 -14.565 1.00 0.00 C ATOM 96 O ALA A 10 3.285 0.638 -14.788 1.00 0.00 O ATOM 97 CB ALA A 10 3.864 2.398 -16.906 1.00 0.00 C ATOM 0 H ALA A 10 6.180 3.010 -15.864 1.00 0.00 H new ATOM 0 HA ALA A 10 3.360 3.469 -15.125 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.900 1.893 -16.974 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.847 3.297 -17.523 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.649 1.730 -17.260 1.00 0.00 H new ATOM 103 N SER A 11 4.949 1.517 -13.554 1.00 0.00 N ATOM 104 CA SER A 11 5.006 0.391 -12.629 1.00 0.00 C ATOM 105 C SER A 11 4.642 0.831 -11.214 1.00 0.00 C ATOM 106 O SER A 11 4.724 2.014 -10.879 1.00 0.00 O ATOM 107 CB SER A 11 6.403 -0.233 -12.639 1.00 0.00 C ATOM 108 OG SER A 11 6.699 -0.802 -13.902 1.00 0.00 O ATOM 0 H SER A 11 5.618 2.261 -13.354 1.00 0.00 H new ATOM 0 HA SER A 11 4.281 -0.354 -12.956 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.146 0.527 -12.396 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.468 -1.000 -11.867 1.00 0.00 H new ATOM 0 HG SER A 11 7.598 -1.192 -13.882 1.00 0.00 H new ATOM 114 N LEU A 12 4.241 -0.128 -10.388 1.00 0.00 N ATOM 115 CA LEU A 12 3.864 0.158 -9.008 1.00 0.00 C ATOM 116 C LEU A 12 4.605 -0.759 -8.040 1.00 0.00 C ATOM 117 O LEU A 12 5.019 -1.859 -8.405 1.00 0.00 O ATOM 118 CB LEU A 12 2.354 -0.004 -8.827 1.00 0.00 C ATOM 119 CG LEU A 12 1.473 0.821 -9.766 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.123 0.149 -9.960 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.295 2.233 -9.226 1.00 0.00 C ATOM 0 H LEU A 12 4.168 -1.111 -10.650 1.00 0.00 H new ATOM 0 HA LEU A 12 4.142 1.189 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.103 -1.057 -8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.101 0.259 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 12 1.967 0.883 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.490 0.751 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.268 -0.841 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.379 0.055 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.665 2.806 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.823 2.190 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.269 2.715 -9.140 1.00 0.00 H new ATOM 133 N TRP A 13 4.767 -0.298 -6.805 1.00 0.00 N ATOM 134 CA TRP A 13 5.457 -1.078 -5.783 1.00 0.00 C ATOM 135 C TRP A 13 4.465 -1.882 -4.950 1.00 0.00 C ATOM 136 O TRP A 13 3.422 -1.369 -4.546 1.00 0.00 O ATOM 137 CB TRP A 13 6.276 -0.158 -4.876 1.00 0.00 C ATOM 138 CG TRP A 13 6.642 -0.788 -3.567 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.840 -1.355 -3.236 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.804 -0.916 -2.413 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.796 -1.828 -1.947 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.558 -1.570 -1.420 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.490 -0.540 -2.122 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.041 -1.856 -0.159 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.977 -0.825 -0.870 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.752 -1.477 0.098 1.00 0.00 C ATOM 0 H TRP A 13 4.431 0.611 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 13 6.129 -1.774 -6.285 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.187 0.137 -5.397 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.708 0.753 -4.687 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.696 -1.422 -3.891 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.561 -2.296 -1.461 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.886 -0.036 -2.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.636 -2.359 0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.962 -0.540 -0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.323 -1.685 1.067 1.00 0.00 H new ATOM 157 N MET A 14 4.796 -3.144 -4.698 1.00 0.00 N ATOM 158 CA MET A 14 3.933 -4.017 -3.911 1.00 0.00 C ATOM 159 C MET A 14 4.739 -4.775 -2.860 1.00 0.00 C ATOM 160 O MET A 14 5.398 -5.768 -3.167 1.00 0.00 O ATOM 161 CB MET A 14 3.205 -5.007 -4.823 1.00 0.00 C ATOM 162 CG MET A 14 2.003 -5.667 -4.166 1.00 0.00 C ATOM 163 SD MET A 14 0.919 -6.477 -5.358 1.00 0.00 S ATOM 164 CE MET A 14 -0.023 -7.554 -4.281 1.00 0.00 C ATOM 0 H MET A 14 5.655 -3.585 -5.027 1.00 0.00 H new ATOM 0 HA MET A 14 3.198 -3.395 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.877 -4.486 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.906 -5.780 -5.140 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.349 -6.401 -3.438 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.436 -4.916 -3.617 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.739 -8.124 -4.873 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.653 -8.240 -3.770 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.557 -6.955 -3.544 1.00 0.00 H new ATOM 174 N GLY A 15 4.682 -4.299 -1.620 1.00 0.00 N ATOM 175 CA GLY A 15 5.412 -4.944 -0.544 1.00 0.00 C ATOM 176 C GLY A 15 4.529 -5.844 0.297 1.00 0.00 C ATOM 177 O GLY A 15 3.490 -6.314 -0.166 1.00 0.00 O ATOM 0 H GLY A 15 4.144 -3.479 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.229 -5.531 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.862 -4.183 0.093 1.00 0.00 H new ATOM 181 N ASP A 16 4.944 -6.088 1.535 1.00 0.00 N ATOM 182 CA ASP A 16 4.184 -6.939 2.443 1.00 0.00 C ATOM 183 C ASP A 16 3.770 -8.236 1.754 1.00 0.00 C ATOM 184 O ASP A 16 2.615 -8.655 1.837 1.00 0.00 O ATOM 185 CB ASP A 16 2.945 -6.200 2.952 1.00 0.00 C ATOM 186 CG ASP A 16 3.245 -5.328 4.155 1.00 0.00 C ATOM 187 OD1 ASP A 16 4.303 -4.664 4.158 1.00 0.00 O ATOM 188 OD2 ASP A 16 2.421 -5.307 5.092 1.00 0.00 O ATOM 0 H ASP A 16 5.803 -5.708 1.933 1.00 0.00 H new ATOM 0 HA ASP A 16 4.824 -7.187 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.539 -5.582 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.175 -6.926 3.216 1.00 0.00 H new ATOM 193 N LEU A 17 4.721 -8.866 1.072 1.00 0.00 N ATOM 194 CA LEU A 17 4.455 -10.115 0.367 1.00 0.00 C ATOM 195 C LEU A 17 4.995 -11.308 1.150 1.00 0.00 C ATOM 196 O LEU A 17 6.000 -11.198 1.851 1.00 0.00 O ATOM 197 CB LEU A 17 5.084 -10.080 -1.027 1.00 0.00 C ATOM 198 CG LEU A 17 4.801 -8.829 -1.859 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.576 -8.872 -3.168 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.309 -8.691 -2.125 1.00 0.00 C ATOM 0 H LEU A 17 5.682 -8.533 0.993 1.00 0.00 H new ATOM 0 HA LEU A 17 3.375 -10.226 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.164 -10.184 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.734 -10.949 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 17 5.131 -7.958 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.362 -7.974 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.644 -8.922 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.277 -9.751 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.127 -7.795 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.954 -9.566 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.776 -8.613 -1.177 1.00 0.00 H new ATOM 212 N GLU A 18 4.320 -12.446 1.024 1.00 0.00 N ATOM 213 CA GLU A 18 4.733 -13.660 1.719 1.00 0.00 C ATOM 214 C GLU A 18 5.945 -14.291 1.039 1.00 0.00 C ATOM 215 O GLU A 18 6.235 -14.036 -0.130 1.00 0.00 O ATOM 216 CB GLU A 18 3.580 -14.664 1.767 1.00 0.00 C ATOM 217 CG GLU A 18 2.629 -14.445 2.932 1.00 0.00 C ATOM 218 CD GLU A 18 3.040 -15.213 4.173 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.048 -14.830 4.802 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.352 -16.198 4.515 1.00 0.00 O ATOM 0 H GLU A 18 3.485 -12.553 0.448 1.00 0.00 H new ATOM 0 HA GLU A 18 5.011 -13.388 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.019 -14.604 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.990 -15.672 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.585 -13.381 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.624 -14.748 2.638 1.00 0.00 H new ATOM 227 N PRO A 19 6.670 -15.135 1.788 1.00 0.00 N ATOM 228 CA PRO A 19 7.862 -15.820 1.280 1.00 0.00 C ATOM 229 C PRO A 19 7.520 -16.881 0.239 1.00 0.00 C ATOM 230 O PRO A 19 8.402 -17.580 -0.261 1.00 0.00 O ATOM 231 CB PRO A 19 8.458 -16.470 2.530 1.00 0.00 C ATOM 232 CG PRO A 19 7.303 -16.644 3.455 1.00 0.00 C ATOM 233 CD PRO A 19 6.382 -15.485 3.189 1.00 0.00 C ATOM 0 HA PRO A 19 8.542 -15.134 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.924 -17.427 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.229 -15.840 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.798 -17.593 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.632 -16.650 4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.337 -15.762 3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.582 -14.650 3.861 1.00 0.00 H new ATOM 241 N TYR A 20 6.237 -16.997 -0.082 1.00 0.00 N ATOM 242 CA TYR A 20 5.779 -17.975 -1.062 1.00 0.00 C ATOM 243 C TYR A 20 5.033 -17.293 -2.205 1.00 0.00 C ATOM 244 O TYR A 20 4.278 -17.932 -2.937 1.00 0.00 O ATOM 245 CB TYR A 20 4.874 -19.011 -0.394 1.00 0.00 C ATOM 246 CG TYR A 20 3.724 -18.404 0.378 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.768 -17.624 -0.261 1.00 0.00 C ATOM 248 CD2 TYR A 20 3.594 -18.612 1.745 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.717 -17.066 0.441 1.00 0.00 C ATOM 250 CE2 TYR A 20 2.544 -18.059 2.455 1.00 0.00 C ATOM 251 CZ TYR A 20 1.609 -17.287 1.798 1.00 0.00 C ATOM 252 OH TYR A 20 0.562 -16.735 2.500 1.00 0.00 O ATOM 0 H TYR A 20 5.495 -16.426 0.322 1.00 0.00 H new ATOM 0 HA TYR A 20 6.655 -18.478 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.475 -19.679 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.472 -19.621 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.848 -17.451 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.325 -19.216 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.984 -16.460 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.457 -18.231 3.518 1.00 0.00 H new ATOM 0 HH TYR A 20 0.857 -16.515 3.408 1.00 0.00 H new ATOM 262 N MET A 21 5.251 -15.990 -2.351 1.00 0.00 N ATOM 263 CA MET A 21 4.602 -15.220 -3.406 1.00 0.00 C ATOM 264 C MET A 21 5.478 -15.159 -4.653 1.00 0.00 C ATOM 265 O MET A 21 6.583 -14.618 -4.620 1.00 0.00 O ATOM 266 CB MET A 21 4.292 -13.804 -2.916 1.00 0.00 C ATOM 267 CG MET A 21 3.243 -13.757 -1.817 1.00 0.00 C ATOM 268 SD MET A 21 2.276 -12.235 -1.844 1.00 0.00 S ATOM 269 CE MET A 21 1.057 -12.587 -0.580 1.00 0.00 C ATOM 0 H MET A 21 5.872 -15.445 -1.752 1.00 0.00 H new ATOM 0 HA MET A 21 3.669 -15.720 -3.664 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.211 -13.346 -2.550 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.950 -13.203 -3.759 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.573 -14.610 -1.923 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.733 -13.854 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.057 -12.429 -0.984 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.157 -13.623 -0.256 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.213 -11.924 0.271 1.00 0.00 H new ATOM 279 N ASP A 22 4.978 -15.718 -5.749 1.00 0.00 N ATOM 280 CA ASP A 22 5.716 -15.726 -7.007 1.00 0.00 C ATOM 281 C ASP A 22 4.949 -14.975 -8.092 1.00 0.00 C ATOM 282 O ASP A 22 3.763 -14.685 -7.938 1.00 0.00 O ATOM 283 CB ASP A 22 5.984 -17.163 -7.457 1.00 0.00 C ATOM 284 CG ASP A 22 6.466 -18.045 -6.322 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.187 -17.534 -5.439 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.122 -19.245 -6.316 1.00 0.00 O ATOM 0 H ASP A 22 4.065 -16.171 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 22 6.668 -15.221 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.072 -17.585 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.730 -17.159 -8.252 1.00 0.00 H new ATOM 291 N GLU A 23 5.636 -14.662 -9.186 1.00 0.00 N ATOM 292 CA GLU A 23 5.020 -13.943 -10.295 1.00 0.00 C ATOM 293 C GLU A 23 3.579 -14.399 -10.505 1.00 0.00 C ATOM 294 O GLU A 23 2.689 -13.586 -10.752 1.00 0.00 O ATOM 295 CB GLU A 23 5.825 -14.153 -11.579 1.00 0.00 C ATOM 296 CG GLU A 23 7.177 -13.461 -11.569 1.00 0.00 C ATOM 297 CD GLU A 23 7.976 -13.723 -12.830 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.350 -14.891 -13.064 1.00 0.00 O ATOM 299 OE2 GLU A 23 8.227 -12.760 -13.584 1.00 0.00 O ATOM 0 H GLU A 23 6.619 -14.895 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 23 5.015 -12.881 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.974 -15.222 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.245 -13.786 -12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.030 -12.387 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.748 -13.800 -10.705 1.00 0.00 H new ATOM 306 N ASN A 24 3.357 -15.706 -10.404 1.00 0.00 N ATOM 307 CA ASN A 24 2.025 -16.271 -10.584 1.00 0.00 C ATOM 308 C ASN A 24 1.065 -15.752 -9.518 1.00 0.00 C ATOM 309 O ASN A 24 0.005 -15.211 -9.833 1.00 0.00 O ATOM 310 CB ASN A 24 2.086 -17.799 -10.531 1.00 0.00 C ATOM 311 CG ASN A 24 2.583 -18.404 -11.830 1.00 0.00 C ATOM 312 OD1 ASN A 24 2.927 -17.687 -12.770 1.00 0.00 O ATOM 313 ND2 ASN A 24 2.622 -19.730 -11.888 1.00 0.00 N ATOM 0 H ASN A 24 4.082 -16.393 -10.199 1.00 0.00 H new ATOM 0 HA ASN A 24 1.655 -15.962 -11.562 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.742 -18.106 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.094 -18.192 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.947 -20.194 -12.736 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.327 -20.285 -11.084 1.00 0.00 H new ATOM 320 N PHE A 25 1.444 -15.920 -8.256 1.00 0.00 N ATOM 321 CA PHE A 25 0.617 -15.469 -7.143 1.00 0.00 C ATOM 322 C PHE A 25 0.222 -14.005 -7.317 1.00 0.00 C ATOM 323 O PHE A 25 -0.963 -13.674 -7.369 1.00 0.00 O ATOM 324 CB PHE A 25 1.362 -15.653 -5.819 1.00 0.00 C ATOM 325 CG PHE A 25 0.503 -15.415 -4.610 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.095 -14.135 -4.274 1.00 0.00 C ATOM 327 CD2 PHE A 25 0.104 -16.473 -3.809 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.695 -13.913 -3.162 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.687 -16.258 -2.696 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.086 -14.976 -2.371 1.00 0.00 C ATOM 0 H PHE A 25 2.319 -16.365 -7.978 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.290 -16.073 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.765 -16.665 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.212 -14.971 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.398 -13.300 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.415 -17.477 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.006 -12.910 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.993 -17.091 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.702 -14.805 -1.501 1.00 0.00 H new ATOM 340 N ILE A 26 1.222 -13.135 -7.407 1.00 0.00 N ATOM 341 CA ILE A 26 0.979 -11.708 -7.576 1.00 0.00 C ATOM 342 C ILE A 26 0.111 -11.439 -8.801 1.00 0.00 C ATOM 343 O ILE A 26 -0.859 -10.685 -8.733 1.00 0.00 O ATOM 344 CB ILE A 26 2.298 -10.925 -7.715 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.237 -11.256 -6.553 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.023 -9.430 -7.771 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.650 -10.947 -5.194 1.00 0.00 C ATOM 0 H ILE A 26 2.208 -13.393 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 26 0.457 -11.369 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 26 2.783 -11.221 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.496 -12.314 -6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.164 -10.696 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.965 -8.890 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.387 -9.209 -8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.520 -9.118 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.371 -11.207 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.417 -9.884 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.738 -11.527 -5.051 1.00 0.00 H new ATOM 359 N SER A 27 0.465 -12.064 -9.919 1.00 0.00 N ATOM 360 CA SER A 27 -0.281 -11.891 -11.160 1.00 0.00 C ATOM 361 C SER A 27 -1.726 -12.351 -10.994 1.00 0.00 C ATOM 362 O SER A 27 -2.611 -11.938 -11.745 1.00 0.00 O ATOM 363 CB SER A 27 0.387 -12.672 -12.294 1.00 0.00 C ATOM 364 OG SER A 27 0.391 -14.062 -12.023 1.00 0.00 O ATOM 0 H SER A 27 1.263 -12.695 -9.991 1.00 0.00 H new ATOM 0 HA SER A 27 -0.282 -10.830 -11.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.139 -12.482 -13.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.410 -12.321 -12.427 1.00 0.00 H new ATOM 0 HG SER A 27 0.055 -14.219 -11.116 1.00 0.00 H new ATOM 370 N ARG A 28 -1.958 -13.207 -10.004 1.00 0.00 N ATOM 371 CA ARG A 28 -3.295 -13.724 -9.739 1.00 0.00 C ATOM 372 C ARG A 28 -4.100 -12.742 -8.894 1.00 0.00 C ATOM 373 O ARG A 28 -5.305 -12.584 -9.087 1.00 0.00 O ATOM 374 CB ARG A 28 -3.210 -15.076 -9.028 1.00 0.00 C ATOM 375 CG ARG A 28 -3.035 -16.253 -9.974 1.00 0.00 C ATOM 376 CD ARG A 28 -3.570 -17.540 -9.367 1.00 0.00 C ATOM 377 NE ARG A 28 -5.030 -17.569 -9.341 1.00 0.00 N ATOM 378 CZ ARG A 28 -5.736 -18.329 -8.512 1.00 0.00 C ATOM 379 NH1 ARG A 28 -5.119 -19.119 -7.644 1.00 0.00 N ATOM 380 NH2 ARG A 28 -7.062 -18.299 -8.549 1.00 0.00 N ATOM 0 H ARG A 28 -1.237 -13.557 -9.372 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.803 -13.855 -10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.375 -15.057 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.116 -15.225 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.553 -16.048 -10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.979 -16.374 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.201 -18.391 -9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.187 -17.648 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.535 -16.972 -9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.100 -19.144 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.664 -19.702 -7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.540 -17.692 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.603 -18.883 -7.912 1.00 0.00 H new ATOM 394 N ALA A 29 -3.425 -12.085 -7.956 1.00 0.00 N ATOM 395 CA ALA A 29 -4.077 -11.117 -7.082 1.00 0.00 C ATOM 396 C ALA A 29 -4.691 -9.977 -7.887 1.00 0.00 C ATOM 397 O ALA A 29 -5.841 -9.597 -7.667 1.00 0.00 O ATOM 398 CB ALA A 29 -3.086 -10.574 -6.064 1.00 0.00 C ATOM 0 H ALA A 29 -2.427 -12.205 -7.782 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.882 -11.627 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.586 -9.852 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.699 -11.394 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.262 -10.085 -6.583 1.00 0.00 H new ATOM 404 N PHE A 30 -3.916 -9.433 -8.820 1.00 0.00 N ATOM 405 CA PHE A 30 -4.382 -8.334 -9.657 1.00 0.00 C ATOM 406 C PHE A 30 -5.523 -8.787 -10.564 1.00 0.00 C ATOM 407 O PHE A 30 -6.589 -8.174 -10.592 1.00 0.00 O ATOM 408 CB PHE A 30 -3.232 -7.784 -10.502 1.00 0.00 C ATOM 409 CG PHE A 30 -2.336 -6.839 -9.752 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.627 -5.486 -9.696 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.204 -7.305 -9.104 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.804 -4.615 -9.007 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.377 -6.439 -8.413 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.678 -5.092 -8.364 1.00 0.00 C ATOM 0 H PHE A 30 -2.962 -9.736 -9.015 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.752 -7.545 -9.003 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.636 -8.616 -10.877 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.643 -7.270 -11.371 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.506 -5.108 -10.196 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.964 -8.358 -9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.041 -3.562 -8.971 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.503 -6.815 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.035 -4.413 -7.824 1.00 0.00 H new ATOM 424 N ALA A 31 -5.289 -9.866 -11.304 1.00 0.00 N ATOM 425 CA ALA A 31 -6.296 -10.403 -12.211 1.00 0.00 C ATOM 426 C ALA A 31 -7.616 -10.641 -11.486 1.00 0.00 C ATOM 427 O ALA A 31 -8.680 -10.251 -11.969 1.00 0.00 O ATOM 428 CB ALA A 31 -5.800 -11.694 -12.845 1.00 0.00 C ATOM 0 H ALA A 31 -4.411 -10.385 -11.293 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.470 -9.668 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.562 -12.084 -13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.886 -11.497 -13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.596 -12.428 -12.065 1.00 0.00 H new ATOM 434 N THR A 32 -7.542 -11.284 -10.325 1.00 0.00 N ATOM 435 CA THR A 32 -8.731 -11.575 -9.535 1.00 0.00 C ATOM 436 C THR A 32 -9.483 -10.297 -9.182 1.00 0.00 C ATOM 437 O THR A 32 -10.713 -10.271 -9.179 1.00 0.00 O ATOM 438 CB THR A 32 -8.374 -12.323 -8.236 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.899 -13.638 -8.543 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.581 -12.415 -7.316 1.00 0.00 C ATOM 0 H THR A 32 -6.670 -11.613 -9.911 1.00 0.00 H new ATOM 0 HA THR A 32 -9.369 -12.211 -10.148 1.00 0.00 H new ATOM 0 HB THR A 32 -7.590 -11.765 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.956 -13.592 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.305 -12.947 -6.406 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.921 -11.411 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.383 -12.953 -7.821 1.00 0.00 H new ATOM 448 N MET A 33 -8.736 -9.239 -8.885 1.00 0.00 N ATOM 449 CA MET A 33 -9.334 -7.957 -8.532 1.00 0.00 C ATOM 450 C MET A 33 -9.879 -7.252 -9.770 1.00 0.00 C ATOM 451 O MET A 33 -10.389 -6.135 -9.686 1.00 0.00 O ATOM 452 CB MET A 33 -8.305 -7.065 -7.835 1.00 0.00 C ATOM 453 CG MET A 33 -8.019 -7.474 -6.399 1.00 0.00 C ATOM 454 SD MET A 33 -9.511 -7.561 -5.391 1.00 0.00 S ATOM 455 CE MET A 33 -9.440 -5.985 -4.544 1.00 0.00 C ATOM 0 H MET A 33 -7.716 -9.244 -8.882 1.00 0.00 H new ATOM 0 HA MET A 33 -10.162 -8.146 -7.849 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.374 -7.086 -8.402 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.662 -6.035 -7.847 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.525 -8.445 -6.394 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.325 -6.761 -5.954 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.366 -5.827 -3.991 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.599 -5.982 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.312 -5.185 -5.274 1.00 0.00 H new ATOM 465 N GLY A 34 -9.768 -7.912 -10.919 1.00 0.00 N ATOM 466 CA GLY A 34 -10.254 -7.333 -12.157 1.00 0.00 C ATOM 467 C GLY A 34 -9.256 -6.378 -12.782 1.00 0.00 C ATOM 468 O GLY A 34 -9.638 -5.353 -13.344 1.00 0.00 O ATOM 0 H GLY A 34 -9.350 -8.838 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.480 -8.131 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.187 -6.804 -11.965 1.00 0.00 H new ATOM 472 N GLU A 35 -7.974 -6.715 -12.681 1.00 0.00 N ATOM 473 CA GLU A 35 -6.919 -5.877 -13.238 1.00 0.00 C ATOM 474 C GLU A 35 -5.984 -6.696 -14.123 1.00 0.00 C ATOM 475 O GLU A 35 -5.591 -7.809 -13.769 1.00 0.00 O ATOM 476 CB GLU A 35 -6.122 -5.208 -12.116 1.00 0.00 C ATOM 477 CG GLU A 35 -6.690 -3.868 -11.681 1.00 0.00 C ATOM 478 CD GLU A 35 -7.055 -2.980 -12.855 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.385 -3.077 -13.904 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.013 -2.189 -12.724 1.00 0.00 O ATOM 0 H GLU A 35 -7.641 -7.561 -12.219 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.388 -5.106 -13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.091 -5.876 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.093 -5.067 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.575 -4.035 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.960 -3.354 -11.055 1.00 0.00 H new ATOM 487 N THR A 36 -5.632 -6.139 -15.277 1.00 0.00 N ATOM 488 CA THR A 36 -4.745 -6.817 -16.214 1.00 0.00 C ATOM 489 C THR A 36 -3.300 -6.370 -16.025 1.00 0.00 C ATOM 490 O THR A 36 -2.891 -5.326 -16.532 1.00 0.00 O ATOM 491 CB THR A 36 -5.164 -6.556 -17.673 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.564 -6.811 -17.834 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.371 -7.434 -18.629 1.00 0.00 C ATOM 0 H THR A 36 -5.948 -5.219 -15.585 1.00 0.00 H new ATOM 0 HA THR A 36 -4.822 -7.884 -16.007 1.00 0.00 H new ATOM 0 HB THR A 36 -4.956 -5.512 -17.906 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.823 -6.641 -18.764 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.684 -7.232 -19.653 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.308 -7.217 -18.525 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.552 -8.483 -18.394 1.00 0.00 H new ATOM 501 N VAL A 37 -2.529 -7.169 -15.293 1.00 0.00 N ATOM 502 CA VAL A 37 -1.128 -6.857 -15.039 1.00 0.00 C ATOM 503 C VAL A 37 -0.273 -7.122 -16.273 1.00 0.00 C ATOM 504 O VAL A 37 -0.512 -8.076 -17.012 1.00 0.00 O ATOM 505 CB VAL A 37 -0.575 -7.677 -13.858 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.169 -9.069 -14.319 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.598 -6.957 -13.212 1.00 0.00 C ATOM 0 H VAL A 37 -2.852 -8.037 -14.866 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.080 -5.797 -14.789 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.362 -7.782 -13.111 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.219 -9.634 -13.472 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.037 -9.583 -14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.602 -8.988 -15.085 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.976 -7.551 -12.380 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.390 -6.819 -13.948 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.270 -5.985 -12.845 1.00 0.00 H new ATOM 517 N MET A 38 0.725 -6.272 -16.488 1.00 0.00 N ATOM 518 CA MET A 38 1.618 -6.416 -17.632 1.00 0.00 C ATOM 519 C MET A 38 2.793 -7.327 -17.294 1.00 0.00 C ATOM 520 O MET A 38 3.085 -8.276 -18.021 1.00 0.00 O ATOM 521 CB MET A 38 2.132 -5.047 -18.081 1.00 0.00 C ATOM 522 CG MET A 38 1.079 -4.201 -18.780 1.00 0.00 C ATOM 523 SD MET A 38 0.411 -5.001 -20.251 1.00 0.00 S ATOM 524 CE MET A 38 -1.347 -4.895 -19.925 1.00 0.00 C ATOM 0 H MET A 38 0.936 -5.476 -15.886 1.00 0.00 H new ATOM 0 HA MET A 38 1.053 -6.869 -18.447 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.503 -4.505 -17.212 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.978 -5.188 -18.754 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.266 -3.991 -18.084 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.515 -3.242 -19.059 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.898 -5.349 -20.749 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.578 -5.422 -18.999 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.637 -3.849 -19.828 1.00 0.00 H new ATOM 534 N SER A 39 3.465 -7.033 -16.185 1.00 0.00 N ATOM 535 CA SER A 39 4.611 -7.824 -15.752 1.00 0.00 C ATOM 536 C SER A 39 4.823 -7.695 -14.247 1.00 0.00 C ATOM 537 O SER A 39 4.375 -6.731 -13.625 1.00 0.00 O ATOM 538 CB SER A 39 5.872 -7.381 -16.496 1.00 0.00 C ATOM 539 OG SER A 39 5.842 -7.803 -17.849 1.00 0.00 O ATOM 0 H SER A 39 3.235 -6.252 -15.570 1.00 0.00 H new ATOM 0 HA SER A 39 4.409 -8.870 -15.984 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.961 -6.296 -16.452 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.752 -7.793 -16.003 1.00 0.00 H new ATOM 0 HG SER A 39 4.924 -8.039 -18.098 1.00 0.00 H new ATOM 545 N VAL A 40 5.509 -8.674 -13.666 1.00 0.00 N ATOM 546 CA VAL A 40 5.782 -8.672 -12.234 1.00 0.00 C ATOM 547 C VAL A 40 7.195 -9.165 -11.943 1.00 0.00 C ATOM 548 O VAL A 40 7.600 -10.232 -12.406 1.00 0.00 O ATOM 549 CB VAL A 40 4.775 -9.551 -11.469 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.535 -10.857 -12.211 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.266 -9.815 -10.054 1.00 0.00 C ATOM 0 H VAL A 40 5.886 -9.479 -14.166 1.00 0.00 H new ATOM 0 HA VAL A 40 5.683 -7.641 -11.895 1.00 0.00 H new ATOM 0 HB VAL A 40 3.827 -9.017 -11.406 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.821 -11.465 -11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.136 -10.644 -13.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.476 -11.399 -12.307 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.542 -10.438 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.227 -10.329 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.382 -8.868 -9.526 1.00 0.00 H new ATOM 561 N LYS A 41 7.942 -8.382 -11.173 1.00 0.00 N ATOM 562 CA LYS A 41 9.310 -8.738 -10.817 1.00 0.00 C ATOM 563 C LYS A 41 9.436 -8.981 -9.316 1.00 0.00 C ATOM 564 O LYS A 41 9.201 -8.081 -8.510 1.00 0.00 O ATOM 565 CB LYS A 41 10.276 -7.632 -11.248 1.00 0.00 C ATOM 566 CG LYS A 41 11.675 -8.134 -11.560 1.00 0.00 C ATOM 567 CD LYS A 41 12.689 -7.002 -11.547 1.00 0.00 C ATOM 568 CE LYS A 41 14.078 -7.494 -11.927 1.00 0.00 C ATOM 569 NZ LYS A 41 14.967 -6.375 -12.344 1.00 0.00 N ATOM 0 H LYS A 41 7.623 -7.495 -10.783 1.00 0.00 H new ATOM 0 HA LYS A 41 9.566 -9.660 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.873 -7.133 -12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.335 -6.884 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.963 -8.890 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.680 -8.617 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.375 -6.223 -12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.720 -6.551 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.523 -8.015 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.998 -8.216 -12.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.904 -6.751 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.555 -5.893 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.064 -5.698 -11.560 1.00 0.00 H new ATOM 583 N ILE A 42 9.811 -10.202 -8.949 1.00 0.00 N ATOM 584 CA ILE A 42 9.971 -10.561 -7.545 1.00 0.00 C ATOM 585 C ILE A 42 11.421 -10.405 -7.099 1.00 0.00 C ATOM 586 O ILE A 42 12.317 -11.062 -7.628 1.00 0.00 O ATOM 587 CB ILE A 42 9.517 -12.009 -7.279 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.171 -12.277 -7.956 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.425 -12.269 -5.783 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.004 -11.608 -7.266 1.00 0.00 C ATOM 0 H ILE A 42 10.010 -10.959 -9.604 1.00 0.00 H new ATOM 0 HA ILE A 42 9.342 -9.880 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 42 10.257 -12.689 -7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.218 -11.932 -8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.997 -13.353 -7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.103 -13.296 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.402 -12.114 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.704 -11.584 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.083 -11.841 -7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.931 -11.971 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.156 -10.529 -7.259 1.00 0.00 H new ATOM 602 N ILE A 43 11.642 -9.532 -6.123 1.00 0.00 N ATOM 603 CA ILE A 43 12.983 -9.292 -5.603 1.00 0.00 C ATOM 604 C ILE A 43 13.394 -10.380 -4.618 1.00 0.00 C ATOM 605 O ILE A 43 12.941 -10.399 -3.474 1.00 0.00 O ATOM 606 CB ILE A 43 13.080 -7.921 -4.907 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.675 -6.805 -5.872 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.490 -7.691 -4.384 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.169 -7.019 -7.285 1.00 0.00 C ATOM 0 H ILE A 43 10.911 -8.979 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 43 13.660 -9.305 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 43 12.393 -7.910 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.588 -6.723 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.062 -5.856 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.543 -6.718 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.744 -8.472 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.195 -7.718 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.845 -6.189 -7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.258 -7.071 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.761 -7.951 -7.676 1.00 0.00 H new ATOM 621 N ARG A 44 14.257 -11.284 -5.070 1.00 0.00 N ATOM 622 CA ARG A 44 14.731 -12.376 -4.228 1.00 0.00 C ATOM 623 C ARG A 44 16.256 -12.400 -4.175 1.00 0.00 C ATOM 624 O ARG A 44 16.926 -11.932 -5.094 1.00 0.00 O ATOM 625 CB ARG A 44 14.207 -13.715 -4.750 1.00 0.00 C ATOM 626 CG ARG A 44 12.716 -13.912 -4.533 1.00 0.00 C ATOM 627 CD ARG A 44 12.191 -15.104 -5.320 1.00 0.00 C ATOM 628 NE ARG A 44 12.504 -15.001 -6.742 1.00 0.00 N ATOM 629 CZ ARG A 44 12.254 -15.966 -7.621 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.691 -17.099 -7.225 1.00 0.00 N ATOM 631 NH2 ARG A 44 12.568 -15.798 -8.899 1.00 0.00 N ATOM 0 H ARG A 44 14.642 -11.282 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 44 14.352 -12.214 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.423 -13.790 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.747 -14.524 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.518 -14.060 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.181 -13.011 -4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.622 -16.021 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.111 -15.177 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 44 12.938 -14.142 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.448 -17.232 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.500 -17.838 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.002 -14.928 -9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.376 -16.539 -9.573 1.00 0.00 H new ATOM 645 N ASN A 45 16.797 -12.948 -3.092 1.00 0.00 N ATOM 646 CA ASN A 45 18.242 -13.032 -2.918 1.00 0.00 C ATOM 647 C ASN A 45 18.839 -14.095 -3.835 1.00 0.00 C ATOM 648 O ASN A 45 18.122 -14.937 -4.375 1.00 0.00 O ATOM 649 CB ASN A 45 18.584 -13.348 -1.461 1.00 0.00 C ATOM 650 CG ASN A 45 19.929 -12.782 -1.046 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.964 -13.132 -1.614 1.00 0.00 O ATOM 652 ND2 ASN A 45 19.918 -11.902 -0.052 1.00 0.00 N ATOM 0 H ASN A 45 16.256 -13.341 -2.322 1.00 0.00 H new ATOM 0 HA ASN A 45 18.672 -12.066 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.807 -12.943 -0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.588 -14.429 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.792 -11.486 0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.036 -11.642 0.389 1.00 0.00 H new ATOM 659 N ARG A 46 20.157 -14.049 -4.006 1.00 0.00 N ATOM 660 CA ARG A 46 20.851 -15.007 -4.857 1.00 0.00 C ATOM 661 C ARG A 46 21.395 -16.171 -4.034 1.00 0.00 C ATOM 662 O ARG A 46 21.738 -17.223 -4.577 1.00 0.00 O ATOM 663 CB ARG A 46 21.993 -14.321 -5.608 1.00 0.00 C ATOM 664 CG ARG A 46 22.783 -15.260 -6.505 1.00 0.00 C ATOM 665 CD ARG A 46 21.954 -15.726 -7.691 1.00 0.00 C ATOM 666 NE ARG A 46 21.797 -14.677 -8.695 1.00 0.00 N ATOM 667 CZ ARG A 46 22.765 -14.300 -9.522 1.00 0.00 C ATOM 668 NH1 ARG A 46 23.955 -14.884 -9.466 1.00 0.00 N ATOM 669 NH2 ARG A 46 22.545 -13.338 -10.409 1.00 0.00 N ATOM 0 H ARG A 46 20.765 -13.358 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 46 20.135 -15.399 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 46 21.584 -13.512 -6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 46 22.671 -13.867 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 46 23.680 -14.754 -6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.113 -16.124 -5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 46 22.429 -16.595 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.971 -16.045 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 46 20.894 -14.208 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.128 -15.625 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 46 24.697 -14.592 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.631 -12.887 -10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.290 -13.049 -11.044 1.00 0.00 H new ATOM 683 N LEU A 47 21.473 -15.976 -2.723 1.00 0.00 N ATOM 684 CA LEU A 47 21.976 -17.009 -1.824 1.00 0.00 C ATOM 685 C LEU A 47 20.828 -17.728 -1.123 1.00 0.00 C ATOM 686 O LEU A 47 20.777 -18.958 -1.091 1.00 0.00 O ATOM 687 CB LEU A 47 22.918 -16.396 -0.787 1.00 0.00 C ATOM 688 CG LEU A 47 24.257 -15.882 -1.317 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.139 -15.409 -0.172 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.962 -16.963 -2.123 1.00 0.00 C ATOM 0 H LEU A 47 21.194 -15.112 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 47 22.526 -17.737 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.401 -15.569 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.117 -17.144 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 47 24.064 -15.034 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.087 -15.047 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.638 -14.603 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.324 -16.238 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.913 -16.579 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.142 -17.831 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.336 -17.254 -2.967 1.00 0.00 H new ATOM 702 N THR A 48 19.905 -16.952 -0.563 1.00 0.00 N ATOM 703 CA THR A 48 18.757 -17.514 0.137 1.00 0.00 C ATOM 704 C THR A 48 17.592 -17.749 -0.818 1.00 0.00 C ATOM 705 O THR A 48 16.792 -18.663 -0.624 1.00 0.00 O ATOM 706 CB THR A 48 18.290 -16.593 1.280 1.00 0.00 C ATOM 707 OG1 THR A 48 18.230 -15.238 0.824 1.00 0.00 O ATOM 708 CG2 THR A 48 19.230 -16.692 2.472 1.00 0.00 C ATOM 0 H THR A 48 19.930 -15.932 -0.581 1.00 0.00 H new ATOM 0 HA THR A 48 19.078 -18.467 0.556 1.00 0.00 H new ATOM 0 HB THR A 48 17.297 -16.914 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.931 -14.659 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 48 18.880 -16.033 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 48 19.250 -17.720 2.835 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.234 -16.394 2.169 1.00 0.00 H new ATOM 716 N GLY A 49 17.503 -16.918 -1.852 1.00 0.00 N ATOM 717 CA GLY A 49 16.433 -17.053 -2.823 1.00 0.00 C ATOM 718 C GLY A 49 15.104 -16.549 -2.295 1.00 0.00 C ATOM 719 O GLY A 49 14.102 -16.554 -3.011 1.00 0.00 O ATOM 0 H GLY A 49 18.153 -16.153 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.694 -16.502 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.334 -18.101 -3.107 1.00 0.00 H new ATOM 723 N ILE A 50 15.095 -16.114 -1.040 1.00 0.00 N ATOM 724 CA ILE A 50 13.879 -15.606 -0.417 1.00 0.00 C ATOM 725 C ILE A 50 13.567 -14.191 -0.894 1.00 0.00 C ATOM 726 O ILE A 50 14.450 -13.342 -1.018 1.00 0.00 O ATOM 727 CB ILE A 50 13.992 -15.604 1.119 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.293 -17.014 1.632 1.00 0.00 C ATOM 729 CG2 ILE A 50 12.711 -15.070 1.743 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.276 -17.124 3.140 1.00 0.00 C ATOM 0 H ILE A 50 15.916 -16.103 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 50 13.070 -16.274 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 50 14.815 -14.950 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.561 -17.707 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.271 -17.325 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.806 -15.075 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.536 -14.051 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.873 -15.702 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.497 -18.150 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.027 -16.456 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.291 -16.845 3.514 1.00 0.00 H new ATOM 742 N PRO A 51 12.281 -13.930 -1.168 1.00 0.00 N ATOM 743 CA PRO A 51 11.822 -12.618 -1.634 1.00 0.00 C ATOM 744 C PRO A 51 11.908 -11.553 -0.546 1.00 0.00 C ATOM 745 O PRO A 51 11.290 -11.680 0.511 1.00 0.00 O ATOM 746 CB PRO A 51 10.362 -12.869 -2.021 1.00 0.00 C ATOM 747 CG PRO A 51 9.948 -14.038 -1.195 1.00 0.00 C ATOM 748 CD PRO A 51 11.175 -14.894 -1.043 1.00 0.00 C ATOM 0 HA PRO A 51 12.435 -12.239 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.742 -11.997 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.265 -13.082 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.574 -13.716 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.143 -14.592 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.193 -15.403 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.225 -15.665 -1.812 1.00 0.00 H new ATOM 756 N ALA A 52 12.680 -10.504 -0.811 1.00 0.00 N ATOM 757 CA ALA A 52 12.845 -9.416 0.145 1.00 0.00 C ATOM 758 C ALA A 52 11.523 -9.079 0.827 1.00 0.00 C ATOM 759 O ALA A 52 11.503 -8.563 1.943 1.00 0.00 O ATOM 760 CB ALA A 52 13.413 -8.186 -0.548 1.00 0.00 C ATOM 0 H ALA A 52 13.201 -10.385 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 52 13.546 -9.743 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.531 -7.381 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.383 -8.428 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.732 -7.866 -1.337 1.00 0.00 H new ATOM 766 N GLY A 53 10.419 -9.372 0.146 1.00 0.00 N ATOM 767 CA GLY A 53 9.109 -9.092 0.702 1.00 0.00 C ATOM 768 C GLY A 53 8.340 -8.071 -0.113 1.00 0.00 C ATOM 769 O GLY A 53 7.386 -7.466 0.377 1.00 0.00 O ATOM 0 H GLY A 53 10.409 -9.798 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.535 -10.017 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.221 -8.727 1.723 1.00 0.00 H new ATOM 773 N TYR A 54 8.755 -7.878 -1.360 1.00 0.00 N ATOM 774 CA TYR A 54 8.101 -6.920 -2.243 1.00 0.00 C ATOM 775 C TYR A 54 8.384 -7.246 -3.707 1.00 0.00 C ATOM 776 O TYR A 54 9.385 -7.887 -4.028 1.00 0.00 O ATOM 777 CB TYR A 54 8.570 -5.499 -1.926 1.00 0.00 C ATOM 778 CG TYR A 54 10.012 -5.239 -2.302 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.051 -5.665 -1.485 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.334 -4.567 -3.475 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.369 -5.430 -1.824 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.650 -4.329 -3.823 1.00 0.00 C ATOM 783 CZ TYR A 54 12.664 -4.762 -2.994 1.00 0.00 C ATOM 784 OH TYR A 54 13.975 -4.525 -3.336 1.00 0.00 O ATOM 0 H TYR A 54 9.541 -8.372 -1.782 1.00 0.00 H new ATOM 0 HA TYR A 54 7.026 -6.987 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.932 -4.789 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.442 -5.313 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.824 -6.189 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.543 -4.225 -4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.165 -5.768 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.883 -3.807 -4.739 1.00 0.00 H new ATOM 0 HH TYR A 54 14.009 -4.045 -4.190 1.00 0.00 H new ATOM 794 N CYS A 55 7.496 -6.800 -4.588 1.00 0.00 N ATOM 795 CA CYS A 55 7.649 -7.044 -6.018 1.00 0.00 C ATOM 796 C CYS A 55 7.079 -5.887 -6.831 1.00 0.00 C ATOM 797 O CYS A 55 6.114 -5.242 -6.421 1.00 0.00 O ATOM 798 CB CYS A 55 6.955 -8.350 -6.411 1.00 0.00 C ATOM 799 SG CYS A 55 5.149 -8.259 -6.396 1.00 0.00 S ATOM 0 H CYS A 55 6.663 -6.268 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 55 8.714 -7.127 -6.235 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.285 -8.639 -7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.274 -9.138 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 55 4.734 -7.687 -7.487 1.00 0.00 H new ATOM 805 N PHE A 56 7.684 -5.627 -7.985 1.00 0.00 N ATOM 806 CA PHE A 56 7.239 -4.545 -8.856 1.00 0.00 C ATOM 807 C PHE A 56 6.268 -5.062 -9.913 1.00 0.00 C ATOM 808 O PHE A 56 6.385 -6.195 -10.380 1.00 0.00 O ATOM 809 CB PHE A 56 8.439 -3.879 -9.531 1.00 0.00 C ATOM 810 CG PHE A 56 9.349 -3.168 -8.571 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.955 -1.983 -7.971 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.599 -3.684 -8.269 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.790 -1.326 -7.087 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.437 -3.032 -7.385 1.00 0.00 C ATOM 815 CZ PHE A 56 11.033 -1.851 -6.794 1.00 0.00 C ATOM 0 H PHE A 56 8.484 -6.151 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 56 6.721 -3.808 -8.242 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.010 -4.637 -10.067 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.079 -3.166 -10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.984 -1.568 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.922 -4.606 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.471 -0.403 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.408 -3.446 -7.156 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.688 -1.339 -6.104 1.00 0.00 H new ATOM 825 N VAL A 57 5.307 -4.223 -10.287 1.00 0.00 N ATOM 826 CA VAL A 57 4.315 -4.593 -11.289 1.00 0.00 C ATOM 827 C VAL A 57 4.229 -3.543 -12.391 1.00 0.00 C ATOM 828 O VAL A 57 3.980 -2.369 -12.124 1.00 0.00 O ATOM 829 CB VAL A 57 2.921 -4.776 -10.659 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.700 -6.228 -10.265 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.756 -3.858 -9.458 1.00 0.00 C ATOM 0 H VAL A 57 5.195 -3.282 -9.911 1.00 0.00 H new ATOM 0 HA VAL A 57 4.638 -5.541 -11.719 1.00 0.00 H new ATOM 0 HB VAL A 57 2.168 -4.507 -11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.710 -6.338 -9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.774 -6.860 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.457 -6.528 -9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.766 -4.000 -9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.515 -4.094 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.868 -2.821 -9.775 1.00 0.00 H new ATOM 841 N GLU A 58 4.436 -3.976 -13.631 1.00 0.00 N ATOM 842 CA GLU A 58 4.382 -3.072 -14.774 1.00 0.00 C ATOM 843 C GLU A 58 2.957 -2.954 -15.307 1.00 0.00 C ATOM 844 O GLU A 58 2.143 -3.862 -15.140 1.00 0.00 O ATOM 845 CB GLU A 58 5.314 -3.562 -15.884 1.00 0.00 C ATOM 846 CG GLU A 58 5.831 -2.449 -16.781 1.00 0.00 C ATOM 847 CD GLU A 58 7.194 -2.758 -17.367 1.00 0.00 C ATOM 848 OE1 GLU A 58 8.207 -2.470 -16.695 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.249 -3.286 -18.497 1.00 0.00 O ATOM 0 H GLU A 58 4.642 -4.946 -13.869 1.00 0.00 H new ATOM 0 HA GLU A 58 4.710 -2.087 -14.442 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.162 -4.077 -15.433 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.785 -4.293 -16.495 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.121 -2.281 -17.591 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.887 -1.523 -16.209 1.00 0.00 H new ATOM 856 N PHE A 59 2.663 -1.827 -15.947 1.00 0.00 N ATOM 857 CA PHE A 59 1.337 -1.588 -16.503 1.00 0.00 C ATOM 858 C PHE A 59 1.429 -0.818 -17.818 1.00 0.00 C ATOM 859 O PHE A 59 2.506 -0.378 -18.217 1.00 0.00 O ATOM 860 CB PHE A 59 0.474 -0.813 -15.505 1.00 0.00 C ATOM 861 CG PHE A 59 -0.008 -1.649 -14.354 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.775 -1.811 -13.222 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.244 -2.274 -14.404 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.335 -2.579 -12.161 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.690 -3.043 -13.346 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.899 -3.197 -12.223 1.00 0.00 C ATOM 0 H PHE A 59 3.325 -1.065 -16.093 1.00 0.00 H new ATOM 0 HA PHE A 59 0.874 -2.555 -16.700 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.048 0.029 -15.117 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.387 -0.397 -16.028 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.741 -1.331 -13.169 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.866 -2.159 -15.280 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.955 -2.696 -11.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.656 -3.523 -13.397 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.245 -3.799 -11.396 1.00 0.00 H new ATOM 876 N ALA A 60 0.290 -0.662 -18.486 1.00 0.00 N ATOM 877 CA ALA A 60 0.241 0.055 -19.754 1.00 0.00 C ATOM 878 C ALA A 60 0.947 1.403 -19.650 1.00 0.00 C ATOM 879 O ALA A 60 1.827 1.717 -20.452 1.00 0.00 O ATOM 880 CB ALA A 60 -1.202 0.246 -20.197 1.00 0.00 C ATOM 0 H ALA A 60 -0.610 -1.022 -18.170 1.00 0.00 H new ATOM 0 HA ALA A 60 0.763 -0.543 -20.501 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.223 0.783 -21.145 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.677 -0.727 -20.320 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.741 0.820 -19.443 1.00 0.00 H new ATOM 886 N ASP A 61 0.555 2.196 -18.659 1.00 0.00 N ATOM 887 CA ASP A 61 1.151 3.511 -18.451 1.00 0.00 C ATOM 888 C ASP A 61 0.851 4.027 -17.047 1.00 0.00 C ATOM 889 O ASP A 61 0.049 3.442 -16.317 1.00 0.00 O ATOM 890 CB ASP A 61 0.631 4.501 -19.494 1.00 0.00 C ATOM 891 CG ASP A 61 1.015 5.933 -19.175 1.00 0.00 C ATOM 892 OD1 ASP A 61 2.196 6.288 -19.374 1.00 0.00 O ATOM 893 OD2 ASP A 61 0.136 6.697 -18.725 1.00 0.00 O ATOM 0 H ASP A 61 -0.173 1.952 -17.987 1.00 0.00 H new ATOM 0 HA ASP A 61 2.231 3.415 -18.560 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.025 4.232 -20.474 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.455 4.424 -19.555 1.00 0.00 H new ATOM 898 N LEU A 62 1.500 5.125 -16.674 1.00 0.00 N ATOM 899 CA LEU A 62 1.303 5.720 -15.357 1.00 0.00 C ATOM 900 C LEU A 62 -0.176 5.986 -15.095 1.00 0.00 C ATOM 901 O LEU A 62 -0.675 5.745 -13.996 1.00 0.00 O ATOM 902 CB LEU A 62 2.096 7.023 -15.241 1.00 0.00 C ATOM 903 CG LEU A 62 1.950 7.782 -13.922 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.590 7.003 -12.784 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.566 9.169 -14.034 1.00 0.00 C ATOM 0 H LEU A 62 2.167 5.621 -17.265 1.00 0.00 H new ATOM 0 HA LEU A 62 1.664 5.014 -14.609 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.152 6.797 -15.392 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.792 7.684 -16.053 1.00 0.00 H new ATOM 0 HG LEU A 62 0.888 7.894 -13.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.476 7.559 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.103 6.032 -12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.650 6.859 -12.993 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.453 9.695 -13.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.625 9.078 -14.275 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.062 9.729 -14.822 1.00 0.00 H new ATOM 917 N ALA A 63 -0.872 6.482 -16.113 1.00 0.00 N ATOM 918 CA ALA A 63 -2.294 6.777 -15.993 1.00 0.00 C ATOM 919 C ALA A 63 -3.062 5.572 -15.462 1.00 0.00 C ATOM 920 O ALA A 63 -3.654 5.625 -14.383 1.00 0.00 O ATOM 921 CB ALA A 63 -2.858 7.213 -17.338 1.00 0.00 C ATOM 0 H ALA A 63 -0.474 6.688 -17.029 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.411 7.593 -15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.921 7.430 -17.234 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.337 8.108 -17.678 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.721 6.414 -18.066 1.00 0.00 H new ATOM 927 N THR A 64 -3.050 4.484 -16.226 1.00 0.00 N ATOM 928 CA THR A 64 -3.746 3.266 -15.832 1.00 0.00 C ATOM 929 C THR A 64 -3.279 2.782 -14.464 1.00 0.00 C ATOM 930 O THR A 64 -4.082 2.336 -13.645 1.00 0.00 O ATOM 931 CB THR A 64 -3.534 2.140 -16.862 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.124 2.504 -18.115 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.142 0.835 -16.370 1.00 0.00 C ATOM 0 H THR A 64 -2.566 4.422 -17.121 1.00 0.00 H new ATOM 0 HA THR A 64 -4.807 3.511 -15.784 1.00 0.00 H new ATOM 0 HB THR A 64 -2.462 1.996 -16.994 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.983 1.784 -18.764 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.980 0.055 -17.114 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.670 0.545 -15.431 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.212 0.969 -16.212 1.00 0.00 H new ATOM 941 N ALA A 65 -1.975 2.875 -14.223 1.00 0.00 N ATOM 942 CA ALA A 65 -1.401 2.449 -12.952 1.00 0.00 C ATOM 943 C ALA A 65 -2.076 3.156 -11.781 1.00 0.00 C ATOM 944 O ALA A 65 -2.405 2.530 -10.774 1.00 0.00 O ATOM 945 CB ALA A 65 0.098 2.710 -12.936 1.00 0.00 C ATOM 0 H ALA A 65 -1.297 3.241 -14.891 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.573 1.378 -12.844 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.513 2.387 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.573 2.154 -13.745 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.283 3.776 -13.070 1.00 0.00 H new ATOM 951 N GLU A 66 -2.278 4.462 -11.921 1.00 0.00 N ATOM 952 CA GLU A 66 -2.912 5.253 -10.873 1.00 0.00 C ATOM 953 C GLU A 66 -4.302 4.713 -10.549 1.00 0.00 C ATOM 954 O GLU A 66 -4.541 4.196 -9.458 1.00 0.00 O ATOM 955 CB GLU A 66 -3.009 6.720 -11.298 1.00 0.00 C ATOM 956 CG GLU A 66 -1.805 7.553 -10.892 1.00 0.00 C ATOM 957 CD GLU A 66 -1.738 8.878 -11.625 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.846 8.873 -12.870 1.00 0.00 O ATOM 959 OE2 GLU A 66 -1.578 9.920 -10.956 1.00 0.00 O ATOM 0 H GLU A 66 -2.012 4.995 -12.749 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.296 5.182 -9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.125 6.769 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.907 7.157 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.841 7.738 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.894 6.987 -11.088 1.00 0.00 H new ATOM 966 N LYS A 67 -5.216 4.837 -11.506 1.00 0.00 N ATOM 967 CA LYS A 67 -6.582 4.361 -11.325 1.00 0.00 C ATOM 968 C LYS A 67 -6.597 2.896 -10.901 1.00 0.00 C ATOM 969 O LYS A 67 -7.531 2.441 -10.239 1.00 0.00 O ATOM 970 CB LYS A 67 -7.380 4.536 -12.619 1.00 0.00 C ATOM 971 CG LYS A 67 -7.556 5.987 -13.034 1.00 0.00 C ATOM 972 CD LYS A 67 -6.399 6.465 -13.895 1.00 0.00 C ATOM 973 CE LYS A 67 -6.841 7.537 -14.879 1.00 0.00 C ATOM 974 NZ LYS A 67 -6.852 8.890 -14.257 1.00 0.00 N ATOM 0 H LYS A 67 -5.035 5.263 -12.415 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.045 4.954 -10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.878 3.996 -13.422 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.363 4.081 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.490 6.098 -13.584 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.633 6.614 -12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.608 6.859 -13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.977 5.621 -14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.172 7.538 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.838 7.300 -15.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.159 9.593 -14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.510 8.896 -13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.895 9.127 -13.925 1.00 0.00 H new ATOM 988 N CYS A 68 -5.557 2.164 -11.283 1.00 0.00 N ATOM 989 CA CYS A 68 -5.450 0.750 -10.941 1.00 0.00 C ATOM 990 C CYS A 68 -4.772 0.568 -9.587 1.00 0.00 C ATOM 991 O CYS A 68 -4.846 -0.503 -8.983 1.00 0.00 O ATOM 992 CB CYS A 68 -4.669 0.000 -12.021 1.00 0.00 C ATOM 993 SG CYS A 68 -5.610 -0.307 -13.534 1.00 0.00 S ATOM 0 H CYS A 68 -4.776 2.526 -11.830 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.458 0.339 -10.881 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.776 0.572 -12.271 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.333 -0.954 -11.615 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.512 -1.562 -13.859 1.00 0.00 H new ATOM 999 N LEU A 69 -4.111 1.619 -9.116 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.418 1.576 -7.834 1.00 0.00 C ATOM 1001 C LEU A 69 -4.313 2.094 -6.713 1.00 0.00 C ATOM 1002 O LEU A 69 -4.125 1.752 -5.545 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.132 2.401 -7.898 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.668 3.025 -6.581 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.021 1.975 -5.692 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.702 4.171 -6.845 1.00 0.00 C ATOM 0 H LEU A 69 -4.040 2.512 -9.603 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.165 0.537 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.333 1.763 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.273 3.200 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.540 3.423 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.697 2.437 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.742 1.187 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.159 1.547 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.382 4.603 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.168 3.797 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.199 4.935 -7.443 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.289 2.921 -7.076 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.216 3.485 -6.102 1.00 0.00 C ATOM 1020 C HIS A 70 -7.429 2.578 -5.917 1.00 0.00 C ATOM 1021 O HIS A 70 -8.159 2.692 -4.933 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.667 4.877 -6.542 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.597 5.919 -6.427 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.317 6.583 -5.252 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.735 6.408 -7.349 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.330 7.437 -5.456 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.958 7.350 -6.721 1.00 0.00 N ATOM 0 H HIS A 70 -5.458 3.215 -8.038 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.696 3.565 -5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.006 4.830 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.523 5.180 -5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.670 6.112 -8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.900 8.095 -4.715 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.215 7.894 -7.159 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.638 1.677 -6.871 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.762 0.750 -6.815 1.00 0.00 C ATOM 1037 C LYS A 71 -8.446 -0.434 -5.906 1.00 0.00 C ATOM 1038 O LYS A 71 -9.350 -1.131 -5.443 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.107 0.249 -8.220 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.958 -0.464 -8.911 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.946 -1.948 -8.585 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.088 -2.680 -9.274 1.00 0.00 C ATOM 1043 NZ LYS A 71 -8.967 -4.157 -9.130 1.00 0.00 N ATOM 0 H LYS A 71 -7.043 1.569 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.620 1.283 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.958 -0.429 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.419 1.095 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.040 -0.328 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.013 -0.015 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.995 -2.382 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.023 -2.085 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.038 -2.351 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.101 -2.418 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.436 -4.624 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.962 -4.423 -9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.419 -4.457 -8.243 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.161 -0.653 -5.653 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.727 -1.750 -4.796 1.00 0.00 C ATOM 1059 C ILE A 72 -5.948 -1.233 -3.592 1.00 0.00 C ATOM 1060 O ILE A 72 -5.631 -1.988 -2.674 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.851 -2.754 -5.568 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.094 -2.045 -6.692 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.706 -3.882 -6.127 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.360 -2.991 -7.617 1.00 0.00 C ATOM 0 H ILE A 72 -6.401 -0.086 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.628 -2.256 -4.451 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.123 -3.183 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.798 -1.452 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.378 -1.349 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.073 -4.584 -6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.204 -4.401 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.455 -3.470 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.846 -2.419 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.631 -3.566 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.073 -3.671 -8.083 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.643 0.061 -3.603 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.901 0.681 -2.511 1.00 0.00 C ATOM 1078 C ASN A 73 -5.736 0.711 -1.235 1.00 0.00 C ATOM 1079 O ASN A 73 -6.341 1.729 -0.901 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.481 2.101 -2.893 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.267 2.987 -1.681 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.125 3.798 -1.332 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.118 2.835 -1.033 1.00 0.00 N ATOM 0 H ASN A 73 -5.898 0.700 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.008 0.083 -2.326 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.561 2.060 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.245 2.543 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.918 3.403 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.436 2.150 -1.358 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.764 -0.412 -0.524 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.527 -0.493 0.707 1.00 0.00 C ATOM 1092 C GLY A 74 -7.512 -1.645 0.704 1.00 0.00 C ATOM 1093 O GLY A 74 -8.105 -1.968 1.734 1.00 0.00 O ATOM 0 H GLY A 74 -5.271 -1.268 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.843 -0.606 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.067 0.442 0.859 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.690 -2.267 -0.456 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.610 -3.389 -0.591 1.00 0.00 C ATOM 1099 C LYS A 75 -7.954 -4.688 -0.134 1.00 0.00 C ATOM 1100 O LYS A 75 -6.731 -4.824 -0.123 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.075 -3.524 -2.042 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.107 -2.486 -2.449 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.511 -2.909 -2.050 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.494 -1.754 -2.160 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.887 -2.230 -2.382 1.00 0.00 N ATOM 0 H LYS A 75 -7.208 -2.012 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.474 -3.195 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.211 -3.442 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.495 -4.519 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.867 -1.531 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.065 -2.333 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.840 -3.730 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.502 -3.284 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.455 -1.156 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.198 -1.102 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.526 -1.413 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.930 -2.779 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.179 -2.831 -1.586 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.785 -5.668 0.252 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.308 -6.975 0.714 1.00 0.00 C ATOM 1121 C PRO A 76 -7.698 -7.802 -0.412 1.00 0.00 C ATOM 1122 O PRO A 76 -8.282 -7.929 -1.489 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.576 -7.648 1.246 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.691 -6.996 0.503 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.255 -5.577 0.264 1.00 0.00 C ATOM 0 HA PRO A 76 -7.516 -6.880 1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.558 -8.723 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.679 -7.504 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.885 -7.509 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.616 -7.028 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.641 -5.192 -0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.610 -4.910 1.050 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.520 -8.362 -0.158 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.831 -9.177 -1.152 1.00 0.00 C ATOM 1135 C LEU A 77 -6.345 -10.613 -1.129 1.00 0.00 C ATOM 1136 O LEU A 77 -6.332 -11.287 -0.099 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.323 -9.160 -0.897 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.540 -10.366 -1.417 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.615 -10.438 -2.934 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.091 -10.301 -0.955 1.00 0.00 C ATOM 0 H LEU A 77 -6.023 -8.266 0.727 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.032 -8.754 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.908 -8.260 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.157 -9.081 0.177 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.990 -11.271 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.052 -11.303 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.656 -10.533 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.191 -9.530 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.549 -11.167 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.629 -9.389 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.056 -10.300 0.134 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.808 -11.095 -2.292 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.332 -12.456 -2.433 1.00 0.00 C ATOM 1154 C PRO A 78 -6.240 -13.513 -2.318 1.00 0.00 C ATOM 1155 O PRO A 78 -5.089 -13.273 -2.680 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.934 -12.461 -3.841 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.184 -11.405 -4.577 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.853 -10.347 -3.560 1.00 0.00 C ATOM 0 HA PRO A 78 -8.047 -12.700 -1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.818 -13.434 -4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.002 -12.244 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.278 -11.811 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.785 -10.993 -5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.899 -9.866 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.608 -9.562 -3.537 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.608 -14.686 -1.810 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.647 -15.762 -1.656 1.00 0.00 C ATOM 1168 C GLY A 79 -4.840 -15.641 -0.378 1.00 0.00 C ATOM 1169 O GLY A 79 -4.727 -16.599 0.386 1.00 0.00 O ATOM 0 H GLY A 79 -7.555 -14.910 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.172 -16.717 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.970 -15.765 -2.510 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.276 -14.460 -0.147 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.476 -14.217 1.047 1.00 0.00 C ATOM 1175 C ALA A 80 -4.060 -14.940 2.256 1.00 0.00 C ATOM 1176 O ALA A 80 -5.253 -14.835 2.540 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.376 -12.724 1.320 1.00 0.00 C ATOM 0 H ALA A 80 -4.358 -13.657 -0.771 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.475 -14.611 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.776 -12.557 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.906 -12.229 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.375 -12.314 1.471 1.00 0.00 H new ATOM 1183 N THR A 81 -3.210 -15.676 2.967 1.00 0.00 N ATOM 1184 CA THR A 81 -3.643 -16.418 4.144 1.00 0.00 C ATOM 1185 C THR A 81 -2.973 -15.886 5.406 1.00 0.00 C ATOM 1186 O THR A 81 -1.750 -15.771 5.488 1.00 0.00 O ATOM 1187 CB THR A 81 -3.332 -17.921 4.007 1.00 0.00 C ATOM 1188 OG1 THR A 81 -3.890 -18.427 2.789 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.890 -18.699 5.189 1.00 0.00 C ATOM 0 H THR A 81 -2.219 -15.774 2.748 1.00 0.00 H new ATOM 0 HA THR A 81 -4.722 -16.283 4.223 1.00 0.00 H new ATOM 0 HB THR A 81 -2.249 -18.046 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.687 -19.382 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.658 -19.757 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.441 -18.331 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.971 -18.567 5.234 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.791 -15.553 6.415 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.249 -15.684 6.329 1.00 0.00 C ATOM 1199 C PRO A 82 -5.866 -14.676 5.367 1.00 0.00 C ATOM 1200 O PRO A 82 -6.705 -15.028 4.539 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.715 -15.410 7.762 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.640 -14.565 8.354 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.356 -15.021 7.718 1.00 0.00 C ATOM 0 HA PRO A 82 -5.548 -16.660 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.676 -14.895 7.774 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.843 -16.337 8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.820 -13.509 8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.603 -14.684 9.437 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.651 -14.198 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.859 -15.783 8.318 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.444 -13.421 5.481 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.954 -12.362 4.618 1.00 0.00 C ATOM 1213 C ALA A 83 -5.216 -11.050 4.865 1.00 0.00 C ATOM 1214 O ALA A 83 -5.332 -10.452 5.935 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.448 -12.178 4.835 1.00 0.00 C ATOM 0 H ALA A 83 -4.750 -13.113 6.162 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.782 -12.656 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.815 -11.384 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.967 -13.108 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.634 -11.910 5.875 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.457 -10.607 3.868 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.700 -9.366 3.976 1.00 0.00 C ATOM 1223 C LYS A 84 -4.379 -8.245 3.195 1.00 0.00 C ATOM 1224 O LYS A 84 -5.417 -8.455 2.566 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.273 -9.568 3.462 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.299 -10.025 4.534 1.00 0.00 C ATOM 1227 CD LYS A 84 -1.592 -11.446 4.984 1.00 0.00 C ATOM 1228 CE LYS A 84 -0.854 -12.465 4.129 1.00 0.00 C ATOM 1229 NZ LYS A 84 0.499 -12.770 4.674 1.00 0.00 N ATOM 0 H LYS A 84 -4.350 -11.090 2.976 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.664 -9.082 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.286 -10.304 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.915 -8.632 3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.280 -9.967 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.356 -9.352 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.300 -11.566 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.665 -11.632 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.438 -13.383 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.759 -12.085 3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.689 -13.788 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.216 -12.235 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.538 -12.500 5.678 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.786 -7.057 3.238 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.334 -5.904 2.534 1.00 0.00 C ATOM 1245 C ARG A 85 -3.426 -5.489 1.380 1.00 0.00 C ATOM 1246 O ARG A 85 -2.204 -5.449 1.522 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.519 -4.731 3.498 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.669 -3.810 3.124 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.975 -4.264 3.759 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.051 -3.902 5.172 1.00 0.00 N ATOM 1251 CZ ARG A 85 -8.172 -3.948 5.883 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -9.305 -4.338 5.316 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -8.161 -3.603 7.164 1.00 0.00 N ATOM 0 H ARG A 85 -2.926 -6.867 3.753 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.305 -6.187 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.688 -5.120 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.597 -4.151 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.441 -2.793 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.779 -3.785 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.813 -3.816 3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.072 -5.345 3.656 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.197 -3.597 5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.317 -4.604 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.164 -4.372 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.291 -3.302 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.022 -3.639 7.709 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.032 -5.182 0.237 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.278 -4.773 -0.942 1.00 0.00 C ATOM 1269 C PHE A 86 -2.406 -3.559 -0.635 1.00 0.00 C ATOM 1270 O PHE A 86 -2.885 -2.425 -0.610 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.230 -4.452 -2.096 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.527 -5.634 -2.974 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.511 -6.267 -3.673 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.821 -6.112 -3.100 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.782 -7.354 -4.482 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.098 -7.200 -3.907 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.077 -7.822 -4.598 1.00 0.00 C ATOM 0 H PHE A 86 -5.043 -5.209 0.103 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.630 -5.600 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.165 -4.068 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.797 -3.658 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.497 -5.907 -3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.623 -5.629 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.982 -7.837 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.111 -7.563 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.290 -8.673 -5.228 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.121 -3.805 -0.401 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.180 -2.734 -0.096 1.00 0.00 C ATOM 1289 C LYS A 87 0.542 -2.269 -1.356 1.00 0.00 C ATOM 1290 O LYS A 87 1.502 -2.899 -1.802 1.00 0.00 O ATOM 1291 CB LYS A 87 0.840 -3.204 0.945 1.00 0.00 C ATOM 1292 CG LYS A 87 1.390 -2.082 1.808 1.00 0.00 C ATOM 1293 CD LYS A 87 1.848 -2.594 3.163 1.00 0.00 C ATOM 1294 CE LYS A 87 1.800 -1.499 4.218 1.00 0.00 C ATOM 1295 NZ LYS A 87 1.952 -2.048 5.594 1.00 0.00 N ATOM 0 H LYS A 87 -0.708 -4.737 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.744 -1.894 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.373 -3.950 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.667 -3.697 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.226 -1.605 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.624 -1.319 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.215 -3.426 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.864 -2.979 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.592 -0.775 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.854 -0.964 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.094 -1.844 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.095 -3.077 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.773 -1.607 6.055 1.00 0.00 H new ATOM 1309 N LEU A 88 0.076 -1.163 -1.925 1.00 0.00 N ATOM 1310 CA LEU A 88 0.678 -0.612 -3.135 1.00 0.00 C ATOM 1311 C LEU A 88 1.101 0.838 -2.920 1.00 0.00 C ATOM 1312 O LEU A 88 0.466 1.575 -2.169 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.304 -0.701 -4.304 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.071 -2.018 -4.437 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.087 -1.931 -5.565 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.109 -3.174 -4.670 1.00 0.00 C ATOM 0 H LEU A 88 -0.717 -0.630 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 88 1.566 -1.200 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.027 0.109 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.246 -0.529 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.607 -2.201 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.623 -2.877 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.795 -1.129 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.572 -1.725 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.672 -4.103 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.455 -2.999 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.580 -3.249 -3.829 1.00 0.00 H new ATOM 1328 N ASN A 89 2.177 1.240 -3.589 1.00 0.00 N ATOM 1329 CA ASN A 89 2.684 2.602 -3.473 1.00 0.00 C ATOM 1330 C ASN A 89 3.457 3.004 -4.726 1.00 0.00 C ATOM 1331 O ASN A 89 3.918 2.150 -5.484 1.00 0.00 O ATOM 1332 CB ASN A 89 3.584 2.731 -2.242 1.00 0.00 C ATOM 1333 CG ASN A 89 2.808 3.107 -0.995 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.348 2.239 -0.252 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.658 4.405 -0.760 1.00 0.00 N ATOM 0 H ASN A 89 2.714 0.642 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 89 1.831 3.272 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.102 1.787 -2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.349 3.484 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.144 4.718 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.056 5.089 -1.403 1.00 0.00 H new ATOM 1342 N TYR A 90 3.594 4.308 -4.937 1.00 0.00 N ATOM 1343 CA TYR A 90 4.309 4.824 -6.098 1.00 0.00 C ATOM 1344 C TYR A 90 5.738 4.292 -6.138 1.00 0.00 C ATOM 1345 O TYR A 90 6.424 4.247 -5.118 1.00 0.00 O ATOM 1346 CB TYR A 90 4.321 6.353 -6.078 1.00 0.00 C ATOM 1347 CG TYR A 90 3.027 6.976 -6.551 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.386 6.511 -7.693 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.445 8.028 -5.856 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.204 7.077 -8.129 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.262 8.600 -6.283 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.645 8.121 -7.420 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.532 8.688 -7.850 1.00 0.00 O ATOM 0 H TYR A 90 3.219 5.028 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 90 3.789 4.484 -6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.528 6.693 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.137 6.710 -6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.820 5.693 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.926 8.406 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.720 6.705 -9.020 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.823 9.417 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.790 9.409 -7.239 1.00 0.00 H new ATOM 1363 N ALA A 91 6.181 3.892 -7.326 1.00 0.00 N ATOM 1364 CA ALA A 91 7.529 3.366 -7.501 1.00 0.00 C ATOM 1365 C ALA A 91 8.568 4.314 -6.912 1.00 0.00 C ATOM 1366 O ALA A 91 9.659 3.893 -6.524 1.00 0.00 O ATOM 1367 CB ALA A 91 7.812 3.120 -8.976 1.00 0.00 C ATOM 0 H ALA A 91 5.626 3.922 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 91 7.595 2.418 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.822 2.727 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.095 2.399 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.722 4.057 -9.525 1.00 0.00 H new