USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=17 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 20 TYR OH : rot -40:sc= 1.42 USER MOD Set 1.2: A 21 MET CE :methyl -113:sc= -2.78 (180deg=-4.91!) USER MOD Single : A 11 SER OG : rot -120:sc= -0.609 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0518 K(o=-0.052,f=-5!) USER MOD Single : A 27 SER OG : rot 96:sc= 0.614 USER MOD Single : A 32 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 33 MET CE :methyl 165:sc= -2.66 (180deg=-3.33) 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 180:sc= -0.416 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.33 K(o=0.33,f=-5.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 54 TYR OH : rot 180:sc= -1.59! USER MOD Single : A 55 CYS SG : rot 80:sc= -2.83! 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 -149:sc= -3.18! USER MOD Single : A 70 HIS : no HD1:sc= -0.683 K(o=-0.68,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -1.47! (180deg=-3.71!) USER MOD Single : A 73 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 50:sc= 0.221 USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -0.35 (180deg=-0.97) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc=-0.00608 X(o=-0.0061,f=0.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.319 3.648 -14.358 1.00 0.00 N ATOM 84 CA ALA A 9 7.446 4.777 -14.656 1.00 0.00 C ATOM 85 C ALA A 9 5.978 4.375 -14.566 1.00 0.00 C ATOM 86 O ALA A 9 5.214 4.949 -13.791 1.00 0.00 O ATOM 87 CB ALA A 9 7.759 5.336 -16.036 1.00 0.00 C ATOM 0 HA ALA A 9 7.629 5.552 -13.912 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.100 6.178 -16.245 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.796 5.670 -16.066 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.606 4.560 -16.786 1.00 0.00 H new ATOM 93 N ALA A 10 5.590 3.386 -15.365 1.00 0.00 N ATOM 94 CA ALA A 10 4.214 2.907 -15.374 1.00 0.00 C ATOM 95 C ALA A 10 4.066 1.645 -14.531 1.00 0.00 C ATOM 96 O ALA A 10 3.211 0.802 -14.803 1.00 0.00 O ATOM 97 CB ALA A 10 3.755 2.647 -16.802 1.00 0.00 C ATOM 0 H ALA A 10 6.210 2.901 -16.014 1.00 0.00 H new ATOM 0 HA ALA A 10 3.583 3.681 -14.936 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.725 2.290 -16.794 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.814 3.571 -17.377 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.397 1.894 -17.259 1.00 0.00 H new ATOM 103 N SER A 11 4.904 1.522 -13.507 1.00 0.00 N ATOM 104 CA SER A 11 4.869 0.360 -12.626 1.00 0.00 C ATOM 105 C SER A 11 4.528 0.772 -11.197 1.00 0.00 C ATOM 106 O SER A 11 4.628 1.945 -10.836 1.00 0.00 O ATOM 107 CB SER A 11 6.216 -0.366 -12.652 1.00 0.00 C ATOM 108 OG SER A 11 6.447 -0.967 -13.914 1.00 0.00 O ATOM 0 H SER A 11 5.615 2.212 -13.267 1.00 0.00 H new ATOM 0 HA SER A 11 4.093 -0.315 -12.986 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.017 0.339 -12.429 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.237 -1.128 -11.873 1.00 0.00 H new ATOM 0 HG SER A 11 6.552 -1.935 -13.801 1.00 0.00 H new ATOM 114 N LEU A 12 4.125 -0.202 -10.389 1.00 0.00 N ATOM 115 CA LEU A 12 3.768 0.058 -8.998 1.00 0.00 C ATOM 116 C LEU A 12 4.593 -0.810 -8.053 1.00 0.00 C ATOM 117 O LEU A 12 5.197 -1.798 -8.471 1.00 0.00 O ATOM 118 CB LEU A 12 2.277 -0.202 -8.777 1.00 0.00 C ATOM 119 CG LEU A 12 1.317 0.620 -9.638 1.00 0.00 C ATOM 120 CD1 LEU A 12 -0.100 0.078 -9.524 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.363 2.087 -9.236 1.00 0.00 C ATOM 0 H LEU A 12 4.037 -1.178 -10.672 1.00 0.00 H new ATOM 0 HA LEU A 12 3.984 1.104 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.082 -1.259 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.047 -0.011 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 12 1.632 0.539 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.769 0.675 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.121 -0.958 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.426 0.128 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.674 2.657 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.074 2.187 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.375 2.470 -9.371 1.00 0.00 H new ATOM 133 N TRP A 13 4.611 -0.436 -6.779 1.00 0.00 N ATOM 134 CA TRP A 13 5.360 -1.182 -5.774 1.00 0.00 C ATOM 135 C TRP A 13 4.422 -1.988 -4.883 1.00 0.00 C ATOM 136 O TRP A 13 3.418 -1.470 -4.394 1.00 0.00 O ATOM 137 CB TRP A 13 6.199 -0.229 -4.922 1.00 0.00 C ATOM 138 CG TRP A 13 6.626 -0.822 -3.613 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.836 -1.387 -3.326 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.845 -0.910 -2.417 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.854 -1.821 -2.022 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.645 -1.539 -1.443 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.549 -0.516 -2.073 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.188 -1.783 -0.150 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.098 -0.759 -0.789 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.916 -1.387 0.159 1.00 0.00 C ATOM 0 H TRP A 13 4.116 0.379 -6.417 1.00 0.00 H new ATOM 0 HA TRP A 13 6.023 -1.875 -6.292 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.084 0.066 -5.485 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.625 0.678 -4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.657 -1.479 -4.021 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.640 -2.279 -1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.911 -0.031 -2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.816 -2.268 0.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.098 -0.460 -0.512 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.534 -1.562 1.154 1.00 0.00 H new ATOM 157 N MET A 14 4.755 -3.258 -4.676 1.00 0.00 N ATOM 158 CA MET A 14 3.941 -4.135 -3.842 1.00 0.00 C ATOM 159 C MET A 14 4.795 -4.823 -2.782 1.00 0.00 C ATOM 160 O MET A 14 5.496 -5.793 -3.069 1.00 0.00 O ATOM 161 CB MET A 14 3.234 -5.183 -4.704 1.00 0.00 C ATOM 162 CG MET A 14 2.063 -5.855 -4.006 1.00 0.00 C ATOM 163 SD MET A 14 1.005 -6.766 -5.146 1.00 0.00 S ATOM 164 CE MET A 14 -0.044 -7.655 -3.997 1.00 0.00 C ATOM 0 H MET A 14 5.582 -3.703 -5.074 1.00 0.00 H new ATOM 0 HA MET A 14 3.191 -3.524 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.878 -4.709 -5.618 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.955 -5.945 -5.000 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.442 -6.537 -3.244 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.470 -5.099 -3.491 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.755 -8.266 -4.552 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.570 -8.297 -3.365 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.586 -6.944 -3.374 1.00 0.00 H new ATOM 174 N GLY A 15 4.732 -4.314 -1.555 1.00 0.00 N ATOM 175 CA GLY A 15 5.505 -4.892 -0.471 1.00 0.00 C ATOM 176 C GLY A 15 4.682 -5.829 0.392 1.00 0.00 C ATOM 177 O GLY A 15 3.649 -6.337 -0.043 1.00 0.00 O ATOM 0 H GLY A 15 4.159 -3.512 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.355 -5.436 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.909 -4.092 0.150 1.00 0.00 H new ATOM 181 N ASP A 16 5.143 -6.059 1.616 1.00 0.00 N ATOM 182 CA ASP A 16 4.443 -6.942 2.543 1.00 0.00 C ATOM 183 C ASP A 16 3.941 -8.192 1.827 1.00 0.00 C ATOM 184 O ASP A 16 2.771 -8.560 1.946 1.00 0.00 O ATOM 185 CB ASP A 16 3.271 -6.207 3.195 1.00 0.00 C ATOM 186 CG ASP A 16 2.954 -6.736 4.579 1.00 0.00 C ATOM 187 OD1 ASP A 16 3.761 -7.527 5.112 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.899 -6.359 5.131 1.00 0.00 O ATOM 0 H ASP A 16 5.998 -5.647 1.990 1.00 0.00 H new ATOM 0 HA ASP A 16 5.146 -7.246 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.503 -5.144 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.389 -6.302 2.562 1.00 0.00 H new ATOM 193 N LEU A 17 4.831 -8.840 1.084 1.00 0.00 N ATOM 194 CA LEU A 17 4.477 -10.049 0.348 1.00 0.00 C ATOM 195 C LEU A 17 4.965 -11.295 1.081 1.00 0.00 C ATOM 196 O LEU A 17 5.772 -11.207 2.005 1.00 0.00 O ATOM 197 CB LEU A 17 5.075 -10.006 -1.060 1.00 0.00 C ATOM 198 CG LEU A 17 4.717 -8.782 -1.903 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.428 -8.832 -3.246 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.211 -8.690 -2.098 1.00 0.00 C ATOM 0 H LEU A 17 5.803 -8.549 0.975 1.00 0.00 H new ATOM 0 HA LEU A 17 3.390 -10.095 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.160 -10.058 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.754 -10.899 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 17 5.049 -7.890 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.161 -7.953 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.506 -8.848 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.127 -9.731 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.975 -7.813 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.855 -9.586 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.723 -8.605 -1.127 1.00 0.00 H new ATOM 212 N GLU A 18 4.469 -12.455 0.661 1.00 0.00 N ATOM 213 CA GLU A 18 4.856 -13.718 1.277 1.00 0.00 C ATOM 214 C GLU A 18 5.927 -14.422 0.449 1.00 0.00 C ATOM 215 O GLU A 18 6.091 -14.169 -0.745 1.00 0.00 O ATOM 216 CB GLU A 18 3.636 -14.629 1.434 1.00 0.00 C ATOM 217 CG GLU A 18 2.818 -14.342 2.682 1.00 0.00 C ATOM 218 CD GLU A 18 3.469 -14.880 3.942 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.379 -14.210 4.472 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.067 -15.971 4.397 1.00 0.00 O ATOM 0 H GLU A 18 3.799 -12.546 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 18 5.268 -13.501 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.997 -14.520 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.969 -15.667 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.678 -13.266 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.827 -14.783 2.572 1.00 0.00 H new ATOM 227 N PRO A 19 6.675 -15.328 1.097 1.00 0.00 N ATOM 228 CA PRO A 19 7.743 -16.087 0.441 1.00 0.00 C ATOM 229 C PRO A 19 7.203 -17.105 -0.558 1.00 0.00 C ATOM 230 O PRO A 19 7.887 -17.477 -1.511 1.00 0.00 O ATOM 231 CB PRO A 19 8.439 -16.798 1.605 1.00 0.00 C ATOM 232 CG PRO A 19 7.395 -16.905 2.662 1.00 0.00 C ATOM 233 CD PRO A 19 6.535 -15.680 2.520 1.00 0.00 C ATOM 0 HA PRO A 19 8.403 -15.442 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.803 -17.781 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.301 -16.231 1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.805 -17.813 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.846 -16.952 3.653 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.497 -15.885 2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.875 -14.873 3.169 1.00 0.00 H new ATOM 241 N TYR A 20 5.971 -17.550 -0.333 1.00 0.00 N ATOM 242 CA TYR A 20 5.339 -18.526 -1.213 1.00 0.00 C ATOM 243 C TYR A 20 4.766 -17.849 -2.455 1.00 0.00 C ATOM 244 O TYR A 20 4.552 -18.492 -3.482 1.00 0.00 O ATOM 245 CB TYR A 20 4.232 -19.273 -0.468 1.00 0.00 C ATOM 246 CG TYR A 20 2.911 -18.537 -0.451 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.079 -18.536 -1.564 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.495 -17.844 0.679 1.00 0.00 C ATOM 249 CE1 TYR A 20 0.872 -17.864 -1.552 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.289 -17.170 0.700 1.00 0.00 C ATOM 251 CZ TYR A 20 0.481 -17.183 -0.418 1.00 0.00 C ATOM 252 OH TYR A 20 -0.721 -16.514 -0.402 1.00 0.00 O ATOM 0 H TYR A 20 5.391 -17.250 0.451 1.00 0.00 H new ATOM 0 HA TYR A 20 6.100 -19.239 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.089 -20.249 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.552 -19.451 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.381 -19.069 -2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.125 -17.832 1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.238 -17.872 -2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.981 -16.636 1.587 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.861 -16.073 -1.266 1.00 0.00 H new ATOM 262 N MET A 21 4.521 -16.547 -2.351 1.00 0.00 N ATOM 263 CA MET A 21 3.974 -15.782 -3.466 1.00 0.00 C ATOM 264 C MET A 21 5.026 -15.576 -4.551 1.00 0.00 C ATOM 265 O MET A 21 6.157 -15.184 -4.266 1.00 0.00 O ATOM 266 CB MET A 21 3.456 -14.428 -2.977 1.00 0.00 C ATOM 267 CG MET A 21 2.170 -14.524 -2.173 1.00 0.00 C ATOM 268 SD MET A 21 1.483 -12.907 -1.767 1.00 0.00 S ATOM 269 CE MET A 21 0.223 -13.363 -0.579 1.00 0.00 C ATOM 0 H MET A 21 4.692 -16.000 -1.507 1.00 0.00 H new ATOM 0 HA MET A 21 3.145 -16.348 -3.891 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.223 -13.954 -2.365 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.290 -13.780 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.434 -15.096 -2.739 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.362 -15.075 -1.252 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.763 -13.160 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.308 -14.425 -0.348 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.356 -12.782 0.333 1.00 0.00 H new ATOM 279 N ASP A 22 4.645 -15.843 -5.796 1.00 0.00 N ATOM 280 CA ASP A 22 5.556 -15.686 -6.924 1.00 0.00 C ATOM 281 C ASP A 22 4.890 -14.907 -8.055 1.00 0.00 C ATOM 282 O ASP A 22 3.677 -14.701 -8.048 1.00 0.00 O ATOM 283 CB ASP A 22 6.014 -17.054 -7.431 1.00 0.00 C ATOM 284 CG ASP A 22 6.296 -18.025 -6.302 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.968 -17.624 -5.328 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.845 -19.186 -6.392 1.00 0.00 O ATOM 0 H ASP A 22 3.712 -16.169 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 22 6.425 -15.124 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.247 -17.472 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.913 -16.932 -8.035 1.00 0.00 H new ATOM 291 N GLU A 23 5.693 -14.477 -9.023 1.00 0.00 N ATOM 292 CA GLU A 23 5.182 -13.719 -10.159 1.00 0.00 C ATOM 293 C GLU A 23 3.781 -14.190 -10.540 1.00 0.00 C ATOM 294 O GLU A 23 2.921 -13.386 -10.899 1.00 0.00 O ATOM 295 CB GLU A 23 6.122 -13.858 -11.358 1.00 0.00 C ATOM 296 CG GLU A 23 7.355 -12.975 -11.270 1.00 0.00 C ATOM 297 CD GLU A 23 8.502 -13.647 -10.540 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.248 -14.625 -9.807 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.655 -13.193 -10.703 1.00 0.00 O ATOM 0 H GLU A 23 6.700 -14.641 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 23 5.128 -12.670 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.436 -14.898 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.575 -13.614 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.677 -12.706 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.097 -12.047 -10.759 1.00 0.00 H new ATOM 306 N ASN A 24 3.560 -15.498 -10.459 1.00 0.00 N ATOM 307 CA ASN A 24 2.264 -16.076 -10.796 1.00 0.00 C ATOM 308 C ASN A 24 1.190 -15.613 -9.816 1.00 0.00 C ATOM 309 O ASN A 24 0.118 -15.162 -10.220 1.00 0.00 O ATOM 310 CB ASN A 24 2.348 -17.604 -10.793 1.00 0.00 C ATOM 311 CG ASN A 24 3.572 -18.117 -11.527 1.00 0.00 C ATOM 312 OD1 ASN A 24 4.698 -17.707 -11.241 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.358 -19.018 -12.478 1.00 0.00 N ATOM 0 H ASN A 24 4.261 -16.177 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 24 1.991 -15.735 -11.795 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.368 -17.962 -9.764 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.451 -18.015 -11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.143 -19.399 -13.005 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.408 -19.329 -12.681 1.00 0.00 H new ATOM 320 N PHE A 25 1.486 -15.727 -8.525 1.00 0.00 N ATOM 321 CA PHE A 25 0.546 -15.321 -7.487 1.00 0.00 C ATOM 322 C PHE A 25 0.206 -13.839 -7.611 1.00 0.00 C ATOM 323 O PHE A 25 -0.951 -13.472 -7.819 1.00 0.00 O ATOM 324 CB PHE A 25 1.129 -15.608 -6.101 1.00 0.00 C ATOM 325 CG PHE A 25 0.174 -15.319 -4.978 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.048 -14.018 -4.557 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.500 -16.349 -4.343 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.926 -13.749 -3.524 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.380 -16.087 -3.310 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.592 -14.785 -2.899 1.00 0.00 C ATOM 0 H PHE A 25 2.369 -16.097 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.370 -15.898 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.430 -16.655 -6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.030 -15.011 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.471 -13.204 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.336 -17.369 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.091 -12.730 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.901 -16.899 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.277 -14.578 -2.090 1.00 0.00 H new ATOM 340 N ILE A 26 1.221 -12.992 -7.481 1.00 0.00 N ATOM 341 CA ILE A 26 1.030 -11.550 -7.580 1.00 0.00 C ATOM 342 C ILE A 26 0.111 -11.195 -8.744 1.00 0.00 C ATOM 343 O ILE A 26 -0.846 -10.439 -8.583 1.00 0.00 O ATOM 344 CB ILE A 26 2.372 -10.815 -7.757 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.302 -11.115 -6.580 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.142 -9.317 -7.889 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.767 -10.635 -5.249 1.00 0.00 C ATOM 0 H ILE A 26 2.184 -13.279 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 26 0.569 -11.228 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 26 2.847 -11.172 -8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.473 -12.190 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.269 -10.647 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.100 -8.811 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.513 -9.121 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.649 -8.944 -6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.478 -10.882 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.623 -9.555 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.814 -11.122 -5.043 1.00 0.00 H new ATOM 359 N SER A 27 0.409 -11.749 -9.915 1.00 0.00 N ATOM 360 CA SER A 27 -0.390 -11.489 -11.107 1.00 0.00 C ATOM 361 C SER A 27 -1.842 -11.902 -10.889 1.00 0.00 C ATOM 362 O SER A 27 -2.767 -11.210 -11.315 1.00 0.00 O ATOM 363 CB SER A 27 0.191 -12.238 -12.308 1.00 0.00 C ATOM 364 OG SER A 27 1.488 -11.765 -12.626 1.00 0.00 O ATOM 0 H SER A 27 1.197 -12.380 -10.064 1.00 0.00 H new ATOM 0 HA SER A 27 -0.362 -10.418 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.233 -13.305 -12.089 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.466 -12.115 -13.169 1.00 0.00 H new ATOM 0 HG SER A 27 2.159 -12.337 -12.198 1.00 0.00 H new ATOM 370 N ARG A 28 -2.034 -13.037 -10.224 1.00 0.00 N ATOM 371 CA ARG A 28 -3.373 -13.544 -9.950 1.00 0.00 C ATOM 372 C ARG A 28 -4.164 -12.558 -9.095 1.00 0.00 C ATOM 373 O ARG A 28 -5.356 -12.348 -9.314 1.00 0.00 O ATOM 374 CB ARG A 28 -3.294 -14.899 -9.243 1.00 0.00 C ATOM 375 CG ARG A 28 -3.249 -16.081 -10.197 1.00 0.00 C ATOM 376 CD ARG A 28 -3.324 -17.403 -9.449 1.00 0.00 C ATOM 377 NE ARG A 28 -3.272 -18.548 -10.355 1.00 0.00 N ATOM 378 CZ ARG A 28 -2.965 -19.780 -9.965 1.00 0.00 C ATOM 379 NH1 ARG A 28 -2.685 -20.026 -8.692 1.00 0.00 N ATOM 380 NH2 ARG A 28 -2.939 -20.770 -10.848 1.00 0.00 N ATOM 0 H ARG A 28 -1.280 -13.622 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.889 -13.668 -10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.406 -14.919 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.156 -15.007 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.078 -16.013 -10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.330 -16.044 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.500 -17.465 -8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.247 -17.440 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.483 -18.393 -11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.705 -19.268 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.450 -20.973 -8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.155 -20.585 -11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.703 -21.716 -10.547 1.00 0.00 H new ATOM 394 N ALA A 29 -3.491 -11.957 -8.119 1.00 0.00 N ATOM 395 CA ALA A 29 -4.130 -10.992 -7.233 1.00 0.00 C ATOM 396 C ALA A 29 -4.813 -9.885 -8.027 1.00 0.00 C ATOM 397 O ALA A 29 -5.996 -9.606 -7.831 1.00 0.00 O ATOM 398 CB ALA A 29 -3.108 -10.401 -6.272 1.00 0.00 C ATOM 0 H ALA A 29 -2.504 -12.121 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.894 -11.515 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.599 -9.682 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.669 -11.198 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.324 -9.899 -6.838 1.00 0.00 H new ATOM 404 N PHE A 30 -4.062 -9.256 -8.925 1.00 0.00 N ATOM 405 CA PHE A 30 -4.595 -8.177 -9.748 1.00 0.00 C ATOM 406 C PHE A 30 -5.740 -8.677 -10.625 1.00 0.00 C ATOM 407 O PHE A 30 -6.827 -8.100 -10.634 1.00 0.00 O ATOM 408 CB PHE A 30 -3.491 -7.580 -10.623 1.00 0.00 C ATOM 409 CG PHE A 30 -2.550 -6.683 -9.871 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.442 -7.206 -9.223 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.772 -5.317 -9.812 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.574 -6.383 -8.530 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.907 -4.489 -9.121 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.807 -5.023 -8.479 1.00 0.00 C ATOM 0 H PHE A 30 -3.082 -9.475 -9.101 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.980 -7.403 -9.083 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.922 -8.390 -11.079 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.948 -7.015 -11.435 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.255 -8.269 -9.260 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.631 -4.894 -10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.285 -6.803 -8.029 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.091 -3.426 -9.083 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.130 -4.378 -7.938 1.00 0.00 H new ATOM 424 N ALA A 31 -5.486 -9.754 -11.361 1.00 0.00 N ATOM 425 CA ALA A 31 -6.494 -10.333 -12.240 1.00 0.00 C ATOM 426 C ALA A 31 -7.787 -10.613 -11.483 1.00 0.00 C ATOM 427 O ALA A 31 -8.882 -10.344 -11.980 1.00 0.00 O ATOM 428 CB ALA A 31 -5.967 -11.610 -12.879 1.00 0.00 C ATOM 0 H ALA A 31 -4.591 -10.243 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.713 -9.610 -13.026 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.730 -12.032 -13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.074 -11.383 -13.462 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.718 -12.331 -12.100 1.00 0.00 H new ATOM 434 N THR A 32 -7.656 -11.156 -10.276 1.00 0.00 N ATOM 435 CA THR A 32 -8.814 -11.474 -9.451 1.00 0.00 C ATOM 436 C THR A 32 -9.598 -10.216 -9.096 1.00 0.00 C ATOM 437 O THR A 32 -10.828 -10.204 -9.149 1.00 0.00 O ATOM 438 CB THR A 32 -8.399 -12.190 -8.152 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.669 -13.382 -8.462 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.618 -12.538 -7.312 1.00 0.00 C ATOM 0 H THR A 32 -6.758 -11.385 -9.849 1.00 0.00 H new ATOM 0 HA THR A 32 -9.447 -12.140 -10.038 1.00 0.00 H new ATOM 0 HB THR A 32 -7.764 -11.515 -7.578 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.718 -13.166 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.299 -13.043 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.154 -11.625 -7.053 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.276 -13.196 -7.880 1.00 0.00 H new ATOM 448 N MET A 33 -8.880 -9.158 -8.735 1.00 0.00 N ATOM 449 CA MET A 33 -9.510 -7.894 -8.374 1.00 0.00 C ATOM 450 C MET A 33 -10.148 -7.236 -9.593 1.00 0.00 C ATOM 451 O MET A 33 -10.871 -6.248 -9.470 1.00 0.00 O ATOM 452 CB MET A 33 -8.483 -6.948 -7.749 1.00 0.00 C ATOM 453 CG MET A 33 -8.138 -7.290 -6.308 1.00 0.00 C ATOM 454 SD MET A 33 -9.581 -7.277 -5.227 1.00 0.00 S ATOM 455 CE MET A 33 -9.400 -5.678 -4.441 1.00 0.00 C ATOM 0 H MET A 33 -7.861 -9.151 -8.685 1.00 0.00 H new ATOM 0 HA MET A 33 -10.293 -8.103 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.572 -6.968 -8.347 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.868 -5.929 -7.790 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.672 -8.275 -6.274 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.403 -6.577 -5.935 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.335 -5.405 -3.953 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.604 -5.726 -3.698 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.151 -4.929 -5.193 1.00 0.00 H new ATOM 465 N GLY A 34 -9.876 -7.791 -10.770 1.00 0.00 N ATOM 466 CA GLY A 34 -10.432 -7.244 -11.994 1.00 0.00 C ATOM 467 C GLY A 34 -9.472 -6.306 -12.698 1.00 0.00 C ATOM 468 O GLY A 34 -9.885 -5.295 -13.264 1.00 0.00 O ATOM 0 H GLY A 34 -9.281 -8.609 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.696 -8.060 -12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.354 -6.710 -11.764 1.00 0.00 H new ATOM 472 N GLU A 35 -8.186 -6.642 -12.663 1.00 0.00 N ATOM 473 CA GLU A 35 -7.164 -5.819 -13.301 1.00 0.00 C ATOM 474 C GLU A 35 -6.187 -6.683 -14.093 1.00 0.00 C ATOM 475 O GLU A 35 -5.731 -7.723 -13.615 1.00 0.00 O ATOM 476 CB GLU A 35 -6.407 -5.003 -12.252 1.00 0.00 C ATOM 477 CG GLU A 35 -7.147 -3.756 -11.799 1.00 0.00 C ATOM 478 CD GLU A 35 -7.062 -2.628 -12.809 1.00 0.00 C ATOM 479 OE1 GLU A 35 -7.033 -2.920 -14.023 1.00 0.00 O ATOM 480 OE2 GLU A 35 -7.024 -1.454 -12.386 1.00 0.00 O ATOM 0 H GLU A 35 -7.827 -7.477 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.661 -5.137 -13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.212 -5.634 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.439 -4.712 -12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.194 -4.003 -11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.735 -3.419 -10.848 1.00 0.00 H new ATOM 487 N THR A 36 -5.869 -6.245 -15.307 1.00 0.00 N ATOM 488 CA THR A 36 -4.948 -6.978 -16.167 1.00 0.00 C ATOM 489 C THR A 36 -3.517 -6.484 -15.986 1.00 0.00 C ATOM 490 O THR A 36 -3.150 -5.419 -16.483 1.00 0.00 O ATOM 491 CB THR A 36 -5.341 -6.848 -17.651 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.693 -7.279 -17.839 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.413 -7.673 -18.530 1.00 0.00 C ATOM 0 H THR A 36 -6.236 -5.386 -15.717 1.00 0.00 H new ATOM 0 HA THR A 36 -5.007 -8.026 -15.874 1.00 0.00 H new ATOM 0 HB THR A 36 -5.251 -5.800 -17.938 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.936 -7.192 -18.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.710 -7.566 -19.573 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.388 -7.323 -18.406 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.475 -8.722 -18.241 1.00 0.00 H new ATOM 501 N VAL A 37 -2.712 -7.265 -15.273 1.00 0.00 N ATOM 502 CA VAL A 37 -1.319 -6.907 -15.029 1.00 0.00 C ATOM 503 C VAL A 37 -0.454 -7.202 -16.249 1.00 0.00 C ATOM 504 O VAL A 37 -0.681 -8.179 -16.962 1.00 0.00 O ATOM 505 CB VAL A 37 -0.750 -7.665 -13.815 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.458 -9.113 -14.178 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.502 -6.974 -13.295 1.00 0.00 C ATOM 0 H VAL A 37 -3.000 -8.149 -14.854 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.298 -5.837 -14.823 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.497 -7.658 -13.022 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.057 -9.632 -13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.379 -9.600 -14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.271 -9.145 -14.988 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.891 -7.523 -12.437 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.256 -6.948 -14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.257 -5.956 -12.993 1.00 0.00 H new ATOM 517 N MET A 38 0.539 -6.350 -16.483 1.00 0.00 N ATOM 518 CA MET A 38 1.440 -6.520 -17.617 1.00 0.00 C ATOM 519 C MET A 38 2.574 -7.479 -17.271 1.00 0.00 C ATOM 520 O MET A 38 2.803 -8.464 -17.972 1.00 0.00 O ATOM 521 CB MET A 38 2.012 -5.168 -18.048 1.00 0.00 C ATOM 522 CG MET A 38 1.002 -4.277 -18.753 1.00 0.00 C ATOM 523 SD MET A 38 0.369 -5.013 -20.273 1.00 0.00 S ATOM 524 CE MET A 38 -1.397 -4.868 -20.009 1.00 0.00 C ATOM 0 H MET A 38 0.740 -5.536 -15.903 1.00 0.00 H new ATOM 0 HA MET A 38 0.869 -6.944 -18.443 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.393 -4.647 -17.169 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.861 -5.337 -18.711 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.170 -4.073 -18.079 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.467 -3.319 -18.984 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.928 -5.282 -20.866 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.677 -5.417 -19.110 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.662 -3.817 -19.890 1.00 0.00 H new ATOM 534 N SER A 39 3.283 -7.183 -16.186 1.00 0.00 N ATOM 535 CA SER A 39 4.396 -8.017 -15.749 1.00 0.00 C ATOM 536 C SER A 39 4.643 -7.854 -14.252 1.00 0.00 C ATOM 537 O SER A 39 4.141 -6.920 -13.626 1.00 0.00 O ATOM 538 CB SER A 39 5.664 -7.660 -16.528 1.00 0.00 C ATOM 539 OG SER A 39 6.212 -6.434 -16.076 1.00 0.00 O ATOM 0 H SER A 39 3.106 -6.372 -15.594 1.00 0.00 H new ATOM 0 HA SER A 39 4.137 -9.057 -15.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.401 -8.455 -16.414 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.434 -7.589 -17.591 1.00 0.00 H new ATOM 0 HG SER A 39 7.022 -6.229 -16.588 1.00 0.00 H new ATOM 545 N VAL A 40 5.420 -8.770 -13.683 1.00 0.00 N ATOM 546 CA VAL A 40 5.735 -8.729 -12.260 1.00 0.00 C ATOM 547 C VAL A 40 7.121 -9.302 -11.988 1.00 0.00 C ATOM 548 O VAL A 40 7.478 -10.364 -12.497 1.00 0.00 O ATOM 549 CB VAL A 40 4.697 -9.511 -11.433 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.427 -10.870 -12.061 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.168 -9.663 -9.995 1.00 0.00 C ATOM 0 H VAL A 40 5.843 -9.550 -14.186 1.00 0.00 H new ATOM 0 HA VAL A 40 5.713 -7.681 -11.960 1.00 0.00 H new ATOM 0 HB VAL A 40 3.763 -8.948 -11.428 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.691 -11.408 -11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.043 -10.734 -13.072 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.353 -11.444 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.423 -10.218 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.115 -10.203 -9.977 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.305 -8.677 -9.551 1.00 0.00 H new ATOM 561 N LYS A 41 7.901 -8.590 -11.180 1.00 0.00 N ATOM 562 CA LYS A 41 9.249 -9.027 -10.837 1.00 0.00 C ATOM 563 C LYS A 41 9.389 -9.225 -9.331 1.00 0.00 C ATOM 564 O LYS A 41 9.046 -8.342 -8.545 1.00 0.00 O ATOM 565 CB LYS A 41 10.278 -8.005 -11.326 1.00 0.00 C ATOM 566 CG LYS A 41 11.621 -8.618 -11.683 1.00 0.00 C ATOM 567 CD LYS A 41 12.437 -7.694 -12.571 1.00 0.00 C ATOM 568 CE LYS A 41 13.880 -8.161 -12.684 1.00 0.00 C ATOM 569 NZ LYS A 41 14.702 -7.709 -11.527 1.00 0.00 N ATOM 0 H LYS A 41 7.622 -7.708 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 41 9.432 -9.982 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.879 -7.490 -12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.426 -7.252 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.178 -8.833 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.464 -9.569 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.988 -7.652 -13.563 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.411 -6.682 -12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.906 -9.249 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.314 -7.780 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.679 -8.048 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.699 -6.670 -11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.303 -8.094 -10.647 1.00 0.00 H new ATOM 583 N ILE A 42 9.897 -10.388 -8.937 1.00 0.00 N ATOM 584 CA ILE A 42 10.086 -10.699 -7.526 1.00 0.00 C ATOM 585 C ILE A 42 11.524 -10.440 -7.092 1.00 0.00 C ATOM 586 O ILE A 42 12.464 -10.996 -7.661 1.00 0.00 O ATOM 587 CB ILE A 42 9.726 -12.165 -7.220 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.301 -12.472 -7.687 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.874 -12.448 -5.732 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.235 -11.777 -6.870 1.00 0.00 C ATOM 0 H ILE A 42 10.185 -11.130 -9.575 1.00 0.00 H new ATOM 0 HA ILE A 42 9.418 -10.044 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 42 10.414 -12.813 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.198 -12.176 -8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.137 -13.549 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.616 -13.488 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.904 -12.265 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.208 -11.794 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.251 -12.040 -7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.312 -12.091 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.373 -10.698 -6.934 1.00 0.00 H new ATOM 602 N ILE A 43 11.688 -9.593 -6.081 1.00 0.00 N ATOM 603 CA ILE A 43 13.013 -9.263 -5.570 1.00 0.00 C ATOM 604 C ILE A 43 13.477 -10.289 -4.542 1.00 0.00 C ATOM 605 O ILE A 43 12.988 -10.316 -3.412 1.00 0.00 O ATOM 606 CB ILE A 43 13.035 -7.863 -4.927 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.573 -6.808 -5.935 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.429 -7.538 -4.414 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.278 -6.899 -7.270 1.00 0.00 C ATOM 0 H ILE A 43 10.921 -9.123 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 43 13.692 -9.274 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 43 12.347 -7.857 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.499 -6.913 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.738 -5.817 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.428 -6.546 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.723 -8.276 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.136 -7.559 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.901 -6.122 -7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.350 -6.764 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.092 -7.877 -7.714 1.00 0.00 H new ATOM 621 N ARG A 44 14.425 -11.131 -4.941 1.00 0.00 N ATOM 622 CA ARG A 44 14.956 -12.159 -4.054 1.00 0.00 C ATOM 623 C ARG A 44 16.472 -12.040 -3.931 1.00 0.00 C ATOM 624 O ARG A 44 17.133 -11.475 -4.801 1.00 0.00 O ATOM 625 CB ARG A 44 14.583 -13.550 -4.570 1.00 0.00 C ATOM 626 CG ARG A 44 13.095 -13.727 -4.822 1.00 0.00 C ATOM 627 CD ARG A 44 12.777 -15.129 -5.319 1.00 0.00 C ATOM 628 NE ARG A 44 12.909 -15.238 -6.769 1.00 0.00 N ATOM 629 CZ ARG A 44 13.009 -16.396 -7.413 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.992 -17.537 -6.738 1.00 0.00 N ATOM 631 NH2 ARG A 44 13.127 -16.414 -8.734 1.00 0.00 N ATOM 0 H ARG A 44 14.841 -11.121 -5.872 1.00 0.00 H new ATOM 0 HA ARG A 44 14.516 -12.015 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.125 -13.742 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.912 -14.297 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.543 -13.532 -3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.760 -12.995 -5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.445 -15.844 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.762 -15.396 -5.026 1.00 0.00 H new ATOM 0 HE ARG A 44 12.925 -14.378 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.902 -17.527 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.069 -18.425 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.141 -15.538 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.204 -17.304 -9.227 1.00 0.00 H new ATOM 645 N ASN A 45 17.016 -12.576 -2.843 1.00 0.00 N ATOM 646 CA ASN A 45 18.454 -12.529 -2.605 1.00 0.00 C ATOM 647 C ASN A 45 19.175 -13.602 -3.415 1.00 0.00 C ATOM 648 O ASN A 45 18.572 -14.592 -3.828 1.00 0.00 O ATOM 649 CB ASN A 45 18.752 -12.712 -1.115 1.00 0.00 C ATOM 650 CG ASN A 45 20.018 -11.996 -0.686 1.00 0.00 C ATOM 651 OD1 ASN A 45 21.105 -12.574 -0.694 1.00 0.00 O ATOM 652 ND2 ASN A 45 19.883 -10.730 -0.310 1.00 0.00 N ATOM 0 H ASN A 45 16.483 -13.048 -2.113 1.00 0.00 H new ATOM 0 HA ASN A 45 18.818 -11.552 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.911 -12.339 -0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.847 -13.775 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.700 -10.197 -0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.962 -10.291 -0.319 1.00 0.00 H new ATOM 659 N ARG A 46 20.469 -13.398 -3.638 1.00 0.00 N ATOM 660 CA ARG A 46 21.272 -14.347 -4.399 1.00 0.00 C ATOM 661 C ARG A 46 21.981 -15.328 -3.469 1.00 0.00 C ATOM 662 O ARG A 46 22.506 -16.351 -3.911 1.00 0.00 O ATOM 663 CB ARG A 46 22.301 -13.606 -5.255 1.00 0.00 C ATOM 664 CG ARG A 46 23.019 -14.500 -6.253 1.00 0.00 C ATOM 665 CD ARG A 46 22.170 -14.749 -7.490 1.00 0.00 C ATOM 666 NE ARG A 46 21.194 -15.814 -7.279 1.00 0.00 N ATOM 667 CZ ARG A 46 21.520 -17.095 -7.153 1.00 0.00 C ATOM 668 NH1 ARG A 46 22.790 -17.469 -7.217 1.00 0.00 N ATOM 669 NH2 ARG A 46 20.574 -18.006 -6.963 1.00 0.00 N ATOM 0 H ARG A 46 20.984 -12.584 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 46 20.603 -14.909 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 46 21.801 -12.802 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.038 -13.141 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 46 23.962 -14.037 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.263 -15.451 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.651 -13.831 -7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 46 22.817 -15.011 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 46 20.208 -15.560 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 46 23.520 -16.772 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 46 23.037 -18.454 -7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.595 -17.722 -6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.825 -18.990 -6.866 1.00 0.00 H new ATOM 683 N LEU A 47 21.992 -15.010 -2.180 1.00 0.00 N ATOM 684 CA LEU A 47 22.636 -15.862 -1.187 1.00 0.00 C ATOM 685 C LEU A 47 21.606 -16.701 -0.438 1.00 0.00 C ATOM 686 O LEU A 47 21.824 -17.885 -0.176 1.00 0.00 O ATOM 687 CB LEU A 47 23.435 -15.012 -0.196 1.00 0.00 C ATOM 688 CG LEU A 47 24.859 -14.651 -0.618 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.702 -15.906 -0.784 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.845 -13.842 -1.907 1.00 0.00 C ATOM 0 H LEU A 47 21.562 -14.168 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 47 23.316 -16.535 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.886 -14.088 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.483 -15.545 0.753 1.00 0.00 H new ATOM 0 HG LEU A 47 25.305 -14.040 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.712 -15.629 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.740 -16.446 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.258 -16.544 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.867 -13.594 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.379 -14.428 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.278 -12.924 -1.754 1.00 0.00 H new ATOM 702 N THR A 48 20.480 -16.082 -0.098 1.00 0.00 N ATOM 703 CA THR A 48 19.414 -16.771 0.618 1.00 0.00 C ATOM 704 C THR A 48 18.317 -17.230 -0.336 1.00 0.00 C ATOM 705 O THR A 48 17.717 -18.287 -0.145 1.00 0.00 O ATOM 706 CB THR A 48 18.793 -15.870 1.703 1.00 0.00 C ATOM 707 OG1 THR A 48 18.187 -14.722 1.098 1.00 0.00 O ATOM 708 CG2 THR A 48 19.846 -15.425 2.706 1.00 0.00 C ATOM 0 H THR A 48 20.283 -15.103 -0.307 1.00 0.00 H new ATOM 0 HA THR A 48 19.864 -17.642 1.094 1.00 0.00 H new ATOM 0 HB THR A 48 18.033 -16.446 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.793 -14.155 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.383 -14.790 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.284 -16.300 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.626 -14.865 2.190 1.00 0.00 H new ATOM 716 N GLY A 49 18.059 -16.427 -1.364 1.00 0.00 N ATOM 717 CA GLY A 49 17.035 -16.769 -2.333 1.00 0.00 C ATOM 718 C GLY A 49 15.649 -16.347 -1.885 1.00 0.00 C ATOM 719 O GLY A 49 14.685 -16.454 -2.643 1.00 0.00 O ATOM 0 H GLY A 49 18.541 -15.546 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.267 -16.292 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.046 -17.845 -2.504 1.00 0.00 H new ATOM 723 N ILE A 50 15.549 -15.868 -0.649 1.00 0.00 N ATOM 724 CA ILE A 50 14.271 -15.430 -0.102 1.00 0.00 C ATOM 725 C ILE A 50 13.889 -14.053 -0.633 1.00 0.00 C ATOM 726 O ILE A 50 14.719 -13.149 -0.741 1.00 0.00 O ATOM 727 CB ILE A 50 14.305 -15.384 1.437 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.627 -16.768 2.004 1.00 0.00 C ATOM 729 CG2 ILE A 50 12.976 -14.879 1.981 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.892 -16.764 3.493 1.00 0.00 C ATOM 0 H ILE A 50 16.337 -15.774 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 50 13.525 -16.158 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 50 15.089 -14.694 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.796 -17.441 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.500 -17.169 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.015 -14.852 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.784 -13.876 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.175 -15.547 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.113 -17.778 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.742 -16.117 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.012 -16.394 4.018 1.00 0.00 H new ATOM 742 N PRO A 51 12.602 -13.885 -0.971 1.00 0.00 N ATOM 743 CA PRO A 51 12.079 -12.620 -1.494 1.00 0.00 C ATOM 744 C PRO A 51 12.045 -11.524 -0.434 1.00 0.00 C ATOM 745 O PRO A 51 11.357 -11.649 0.579 1.00 0.00 O ATOM 746 CB PRO A 51 10.659 -12.979 -1.938 1.00 0.00 C ATOM 747 CG PRO A 51 10.285 -14.152 -1.100 1.00 0.00 C ATOM 748 CD PRO A 51 11.558 -14.919 -0.869 1.00 0.00 C ATOM 0 HA PRO A 51 12.702 -12.222 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.973 -12.146 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.626 -13.224 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.845 -13.832 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.543 -14.771 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.565 -15.402 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.695 -15.704 -1.613 1.00 0.00 H new ATOM 756 N ALA A 52 12.790 -10.451 -0.674 1.00 0.00 N ATOM 757 CA ALA A 52 12.843 -9.333 0.259 1.00 0.00 C ATOM 758 C ALA A 52 11.478 -9.080 0.890 1.00 0.00 C ATOM 759 O ALA A 52 11.384 -8.614 2.025 1.00 0.00 O ATOM 760 CB ALA A 52 13.341 -8.079 -0.446 1.00 0.00 C ATOM 0 H ALA A 52 13.366 -10.332 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 52 13.541 -9.590 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.375 -7.252 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.340 -8.258 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.665 -7.828 -1.263 1.00 0.00 H new ATOM 766 N GLY A 53 10.420 -9.391 0.146 1.00 0.00 N ATOM 767 CA GLY A 53 9.074 -9.189 0.650 1.00 0.00 C ATOM 768 C GLY A 53 8.288 -8.194 -0.180 1.00 0.00 C ATOM 769 O GLY A 53 7.219 -7.740 0.231 1.00 0.00 O ATOM 0 H GLY A 53 10.471 -9.779 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.547 -10.143 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.124 -8.838 1.681 1.00 0.00 H new ATOM 773 N TYR A 54 8.816 -7.853 -1.350 1.00 0.00 N ATOM 774 CA TYR A 54 8.159 -6.901 -2.238 1.00 0.00 C ATOM 775 C TYR A 54 8.412 -7.256 -3.700 1.00 0.00 C ATOM 776 O TYR A 54 9.392 -7.926 -4.027 1.00 0.00 O ATOM 777 CB TYR A 54 8.652 -5.482 -1.953 1.00 0.00 C ATOM 778 CG TYR A 54 10.058 -5.219 -2.443 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.153 -5.796 -1.812 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.291 -4.394 -3.537 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.440 -5.559 -2.256 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.574 -4.153 -3.988 1.00 0.00 C ATOM 783 CZ TYR A 54 12.645 -4.737 -3.344 1.00 0.00 C ATOM 784 OH TYR A 54 13.925 -4.497 -3.790 1.00 0.00 O ATOM 0 H TYR A 54 9.698 -8.222 -1.706 1.00 0.00 H new ATOM 0 HA TYR A 54 7.086 -6.950 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.974 -4.770 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.611 -5.301 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.996 -6.441 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.455 -3.934 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.280 -6.015 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.738 -3.511 -4.841 1.00 0.00 H new ATOM 0 HH TYR A 54 13.894 -3.898 -4.565 1.00 0.00 H new ATOM 794 N CYS A 55 7.521 -6.802 -4.574 1.00 0.00 N ATOM 795 CA CYS A 55 7.646 -7.071 -6.003 1.00 0.00 C ATOM 796 C CYS A 55 7.151 -5.885 -6.824 1.00 0.00 C ATOM 797 O CYS A 55 6.284 -5.130 -6.384 1.00 0.00 O ATOM 798 CB CYS A 55 6.861 -8.329 -6.376 1.00 0.00 C ATOM 799 SG CYS A 55 5.085 -8.058 -6.578 1.00 0.00 S ATOM 0 H CYS A 55 6.705 -6.246 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 55 8.701 -7.230 -6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.264 -8.734 -7.304 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.017 -9.084 -5.605 1.00 0.00 H new ATOM 0 HG CYS A 55 4.855 -7.544 -7.750 1.00 0.00 H new ATOM 805 N PHE A 56 7.710 -5.726 -8.019 1.00 0.00 N ATOM 806 CA PHE A 56 7.327 -4.630 -8.902 1.00 0.00 C ATOM 807 C PHE A 56 6.319 -5.099 -9.947 1.00 0.00 C ATOM 808 O PHE A 56 6.411 -6.216 -10.457 1.00 0.00 O ATOM 809 CB PHE A 56 8.562 -4.049 -9.594 1.00 0.00 C ATOM 810 CG PHE A 56 9.497 -3.339 -8.657 1.00 0.00 C ATOM 811 CD1 PHE A 56 9.116 -2.157 -8.042 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.756 -3.853 -8.391 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.973 -1.501 -7.178 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.617 -3.202 -7.528 1.00 0.00 C ATOM 815 CZ PHE A 56 11.226 -2.024 -6.922 1.00 0.00 C ATOM 0 H PHE A 56 8.429 -6.342 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 56 6.860 -3.855 -8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.102 -4.854 -10.092 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.241 -3.354 -10.369 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.138 -1.743 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.068 -4.773 -8.863 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.664 -0.581 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.595 -3.614 -7.328 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.899 -1.513 -6.249 1.00 0.00 H new ATOM 825 N VAL A 57 5.355 -4.238 -10.259 1.00 0.00 N ATOM 826 CA VAL A 57 4.329 -4.563 -11.242 1.00 0.00 C ATOM 827 C VAL A 57 4.301 -3.535 -12.368 1.00 0.00 C ATOM 828 O VAL A 57 4.343 -2.330 -12.122 1.00 0.00 O ATOM 829 CB VAL A 57 2.934 -4.637 -10.594 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.618 -6.061 -10.165 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.845 -3.683 -9.412 1.00 0.00 C ATOM 0 H VAL A 57 5.264 -3.310 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 57 4.583 -5.540 -11.653 1.00 0.00 H new ATOM 0 HB VAL A 57 2.193 -4.334 -11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.628 -6.093 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.638 -6.716 -11.036 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.361 -6.396 -9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.853 -3.748 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.595 -3.953 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.023 -2.663 -9.753 1.00 0.00 H new ATOM 841 N GLU A 58 4.230 -4.021 -13.604 1.00 0.00 N ATOM 842 CA GLU A 58 4.198 -3.143 -14.767 1.00 0.00 C ATOM 843 C GLU A 58 2.780 -3.026 -15.321 1.00 0.00 C ATOM 844 O GLU A 58 1.955 -3.921 -15.139 1.00 0.00 O ATOM 845 CB GLU A 58 5.140 -3.664 -15.854 1.00 0.00 C ATOM 846 CG GLU A 58 5.660 -2.578 -16.781 1.00 0.00 C ATOM 847 CD GLU A 58 7.007 -2.923 -17.385 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.034 -3.638 -18.409 1.00 0.00 O ATOM 849 OE2 GLU A 58 8.036 -2.478 -16.834 1.00 0.00 O ATOM 0 H GLU A 58 4.194 -5.016 -13.825 1.00 0.00 H new ATOM 0 HA GLU A 58 4.530 -2.154 -14.452 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.986 -4.162 -15.381 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.618 -4.416 -16.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.939 -2.413 -17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.743 -1.642 -16.228 1.00 0.00 H new ATOM 856 N PHE A 59 2.505 -1.915 -15.997 1.00 0.00 N ATOM 857 CA PHE A 59 1.187 -1.680 -16.576 1.00 0.00 C ATOM 858 C PHE A 59 1.302 -0.942 -17.907 1.00 0.00 C ATOM 859 O PHE A 59 2.396 -0.568 -18.328 1.00 0.00 O ATOM 860 CB PHE A 59 0.318 -0.875 -15.608 1.00 0.00 C ATOM 861 CG PHE A 59 -0.127 -1.660 -14.407 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.300 -2.397 -14.441 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.628 -1.662 -13.245 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.712 -3.120 -13.337 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.222 -2.384 -12.139 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.949 -3.114 -12.185 1.00 0.00 C ATOM 0 H PHE A 59 3.176 -1.164 -16.157 1.00 0.00 H new ATOM 0 HA PHE A 59 0.719 -2.648 -16.756 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.875 0.000 -15.274 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.561 -0.510 -16.139 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.899 -2.407 -15.340 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.545 -1.092 -13.203 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.629 -3.689 -13.375 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.820 -2.377 -11.240 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.268 -3.679 -11.322 1.00 0.00 H new ATOM 876 N ALA A 60 0.165 -0.738 -18.564 1.00 0.00 N ATOM 877 CA ALA A 60 0.137 -0.045 -19.845 1.00 0.00 C ATOM 878 C ALA A 60 0.870 1.290 -19.764 1.00 0.00 C ATOM 879 O ALA A 60 1.781 1.558 -20.546 1.00 0.00 O ATOM 880 CB ALA A 60 -1.299 0.166 -20.300 1.00 0.00 C ATOM 0 H ALA A 60 -0.749 -1.043 -18.230 1.00 0.00 H new ATOM 0 HA ALA A 60 0.651 -0.668 -20.577 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.304 0.685 -21.259 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.792 -0.800 -20.408 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.831 0.765 -19.560 1.00 0.00 H new ATOM 886 N ASP A 61 0.464 2.124 -18.813 1.00 0.00 N ATOM 887 CA ASP A 61 1.083 3.432 -18.629 1.00 0.00 C ATOM 888 C ASP A 61 0.839 3.955 -17.216 1.00 0.00 C ATOM 889 O ASP A 61 0.163 3.311 -16.413 1.00 0.00 O ATOM 890 CB ASP A 61 0.538 4.427 -19.655 1.00 0.00 C ATOM 891 CG ASP A 61 -0.976 4.398 -19.742 1.00 0.00 C ATOM 892 OD1 ASP A 61 -1.634 4.764 -18.746 1.00 0.00 O ATOM 893 OD2 ASP A 61 -1.502 4.009 -20.806 1.00 0.00 O ATOM 0 H ASP A 61 -0.290 1.918 -18.158 1.00 0.00 H new ATOM 0 HA ASP A 61 2.157 3.322 -18.776 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.865 5.433 -19.391 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.960 4.202 -20.635 1.00 0.00 H new ATOM 898 N LEU A 62 1.393 5.125 -16.920 1.00 0.00 N ATOM 899 CA LEU A 62 1.237 5.734 -15.604 1.00 0.00 C ATOM 900 C LEU A 62 -0.237 5.937 -15.269 1.00 0.00 C ATOM 901 O LEU A 62 -0.679 5.636 -14.161 1.00 0.00 O ATOM 902 CB LEU A 62 1.973 7.074 -15.550 1.00 0.00 C ATOM 903 CG LEU A 62 1.818 7.874 -14.256 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.548 7.186 -13.113 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.331 9.294 -14.441 1.00 0.00 C ATOM 0 H LEU A 62 1.954 5.671 -17.573 1.00 0.00 H new ATOM 0 HA LEU A 62 1.669 5.059 -14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.035 6.889 -15.714 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.625 7.691 -16.379 1.00 0.00 H new ATOM 0 HG LEU A 62 0.758 7.922 -14.007 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.427 7.769 -12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.133 6.189 -12.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.608 7.106 -13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.212 9.848 -13.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.386 9.267 -14.715 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.763 9.786 -15.231 1.00 0.00 H new ATOM 917 N ALA A 63 -0.993 6.447 -16.236 1.00 0.00 N ATOM 918 CA ALA A 63 -2.419 6.685 -16.045 1.00 0.00 C ATOM 919 C ALA A 63 -3.109 5.454 -15.469 1.00 0.00 C ATOM 920 O ALA A 63 -3.720 5.513 -14.401 1.00 0.00 O ATOM 921 CB ALA A 63 -3.067 7.089 -17.361 1.00 0.00 C ATOM 0 H ALA A 63 -0.642 6.703 -17.159 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.534 7.500 -15.331 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.131 7.264 -17.204 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.600 8.002 -17.731 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.934 6.291 -18.092 1.00 0.00 H new ATOM 927 N THR A 64 -3.010 4.337 -16.183 1.00 0.00 N ATOM 928 CA THR A 64 -3.626 3.091 -15.744 1.00 0.00 C ATOM 929 C THR A 64 -3.084 2.658 -14.387 1.00 0.00 C ATOM 930 O THR A 64 -3.825 2.152 -13.545 1.00 0.00 O ATOM 931 CB THR A 64 -3.394 1.959 -16.763 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.993 2.299 -18.018 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.975 0.648 -16.256 1.00 0.00 C ATOM 0 H THR A 64 -2.509 4.270 -17.069 1.00 0.00 H new ATOM 0 HA THR A 64 -4.696 3.280 -15.661 1.00 0.00 H new ATOM 0 HB THR A 64 -2.319 1.834 -16.896 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.840 1.575 -18.661 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.799 -0.137 -16.992 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.496 0.377 -15.315 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.047 0.763 -16.097 1.00 0.00 H new ATOM 941 N ALA A 65 -1.786 2.860 -14.182 1.00 0.00 N ATOM 942 CA ALA A 65 -1.145 2.492 -12.926 1.00 0.00 C ATOM 943 C ALA A 65 -1.827 3.171 -11.742 1.00 0.00 C ATOM 944 O ALA A 65 -2.074 2.543 -10.713 1.00 0.00 O ATOM 945 CB ALA A 65 0.333 2.850 -12.963 1.00 0.00 C ATOM 0 H ALA A 65 -1.158 3.276 -14.870 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.243 1.414 -12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.799 2.570 -12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.817 2.314 -13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.444 3.923 -13.118 1.00 0.00 H new ATOM 951 N GLU A 66 -2.126 4.457 -11.896 1.00 0.00 N ATOM 952 CA GLU A 66 -2.777 5.221 -10.838 1.00 0.00 C ATOM 953 C GLU A 66 -4.124 4.604 -10.473 1.00 0.00 C ATOM 954 O GLU A 66 -4.303 4.083 -9.371 1.00 0.00 O ATOM 955 CB GLU A 66 -2.971 6.675 -11.274 1.00 0.00 C ATOM 956 CG GLU A 66 -1.804 7.579 -10.915 1.00 0.00 C ATOM 957 CD GLU A 66 -2.065 9.033 -11.257 1.00 0.00 C ATOM 958 OE1 GLU A 66 -3.193 9.508 -11.010 1.00 0.00 O ATOM 959 OE2 GLU A 66 -1.140 9.695 -11.772 1.00 0.00 O ATOM 0 H GLU A 66 -1.928 4.991 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.134 5.196 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.124 6.705 -12.353 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.878 7.066 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.597 7.492 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.912 7.240 -11.442 1.00 0.00 H new ATOM 966 N LYS A 67 -5.070 4.667 -11.404 1.00 0.00 N ATOM 967 CA LYS A 67 -6.401 4.115 -11.182 1.00 0.00 C ATOM 968 C LYS A 67 -6.317 2.676 -10.683 1.00 0.00 C ATOM 969 O LYS A 67 -7.054 2.279 -9.779 1.00 0.00 O ATOM 970 CB LYS A 67 -7.221 4.171 -12.473 1.00 0.00 C ATOM 971 CG LYS A 67 -7.306 5.562 -13.079 1.00 0.00 C ATOM 972 CD LYS A 67 -7.426 5.504 -14.593 1.00 0.00 C ATOM 973 CE LYS A 67 -8.864 5.272 -15.030 1.00 0.00 C ATOM 974 NZ LYS A 67 -9.605 6.553 -15.201 1.00 0.00 N ATOM 0 H LYS A 67 -4.939 5.095 -12.320 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.894 4.718 -10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.781 3.492 -13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.229 3.810 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.166 6.088 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.420 6.134 -12.805 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.060 6.436 -15.024 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.794 4.704 -14.979 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.873 4.719 -15.969 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.373 4.654 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.581 6.352 -15.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.618 7.070 -14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.134 7.133 -15.925 1.00 0.00 H new ATOM 988 N CYS A 68 -5.416 1.901 -11.275 1.00 0.00 N ATOM 989 CA CYS A 68 -5.236 0.506 -10.890 1.00 0.00 C ATOM 990 C CYS A 68 -4.641 0.401 -9.489 1.00 0.00 C ATOM 991 O CYS A 68 -4.699 -0.653 -8.856 1.00 0.00 O ATOM 992 CB CYS A 68 -4.333 -0.210 -11.896 1.00 0.00 C ATOM 993 SG CYS A 68 -4.357 -2.013 -11.756 1.00 0.00 S ATOM 0 H CYS A 68 -4.798 2.215 -12.024 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.215 0.027 -10.886 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.637 0.070 -12.905 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.309 0.141 -11.763 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.198 -2.490 -12.100 1.00 0.00 H new ATOM 999 N LEU A 69 -4.068 1.501 -9.013 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.460 1.533 -7.687 1.00 0.00 C ATOM 1001 C LEU A 69 -4.451 2.041 -6.645 1.00 0.00 C ATOM 1002 O LEU A 69 -4.400 1.647 -5.480 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.214 2.420 -7.697 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.826 3.049 -6.358 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.958 2.095 -5.552 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -1.106 4.371 -6.578 1.00 0.00 C ATOM 0 H LEU A 69 -4.012 2.382 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.172 0.516 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.373 1.826 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.368 3.221 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.737 3.245 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.692 2.559 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.509 1.173 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.051 1.867 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.838 4.804 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.202 4.200 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.761 5.057 -7.114 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.354 2.918 -7.073 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.360 3.478 -6.178 1.00 0.00 C ATOM 1020 C HIS A 70 -7.557 2.540 -6.050 1.00 0.00 C ATOM 1021 O HIS A 70 -8.397 2.704 -5.165 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.821 4.844 -6.686 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.762 5.900 -6.610 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.474 6.596 -5.455 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.917 6.376 -7.554 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.500 7.456 -5.692 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -4.144 7.342 -6.959 1.00 0.00 N ATOM 0 H HIS A 70 -5.409 3.256 -8.034 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.908 3.598 -5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.151 4.745 -7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.685 5.166 -6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.861 6.056 -8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.068 8.136 -4.973 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.413 7.884 -7.420 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.628 1.555 -6.940 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.721 0.590 -6.927 1.00 0.00 C ATOM 1037 C LYS A 71 -8.407 -0.574 -5.992 1.00 0.00 C ATOM 1038 O LYS A 71 -9.301 -1.323 -5.597 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.982 0.066 -8.341 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.827 -0.736 -8.916 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.949 -2.212 -8.575 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.105 -2.863 -9.320 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.374 -2.794 -8.544 1.00 0.00 N ATOM 0 H LYS A 71 -6.941 1.404 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.615 1.095 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.876 -0.558 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.191 0.909 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.801 -0.613 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.885 -0.349 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.019 -2.723 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.096 -2.327 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.241 -2.370 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.862 -3.905 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.842 -3.722 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.165 -2.529 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.002 -2.082 -8.968 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.134 -0.719 -5.641 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.705 -1.790 -4.751 1.00 0.00 C ATOM 1059 C ILE A 72 -5.909 -1.239 -3.572 1.00 0.00 C ATOM 1060 O ILE A 72 -5.533 -1.979 -2.664 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.846 -2.830 -5.494 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.095 -2.170 -6.652 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.717 -3.970 -6.002 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.378 -3.156 -7.548 1.00 0.00 C ATOM 0 H ILE A 72 -6.382 -0.108 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.609 -2.275 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.114 -3.240 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.801 -1.594 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.369 -1.464 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.096 -4.697 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.211 -4.454 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.469 -3.576 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.868 -2.618 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.648 -3.715 -6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.101 -3.847 -7.981 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.657 0.066 -3.594 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.907 0.717 -2.526 1.00 0.00 C ATOM 1078 C ASN A 73 -5.697 0.706 -1.221 1.00 0.00 C ATOM 1079 O ASN A 73 -6.353 1.687 -0.872 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.566 2.156 -2.918 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.363 3.051 -1.710 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.224 3.864 -1.374 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.218 2.906 -1.053 1.00 0.00 N ATOM 0 H ASN A 73 -5.961 0.693 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.982 0.160 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.661 2.160 -3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.367 2.561 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.024 3.482 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.533 2.219 -1.368 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.629 -0.411 -0.503 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.342 -0.528 0.756 1.00 0.00 C ATOM 1092 C GLY A 74 -7.318 -1.688 0.763 1.00 0.00 C ATOM 1093 O GLY A 74 -7.750 -2.139 1.824 1.00 0.00 O ATOM 0 H GLY A 74 -5.093 -1.237 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.624 -0.656 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.882 0.398 0.952 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.667 -2.173 -0.424 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.599 -3.287 -0.551 1.00 0.00 C ATOM 1099 C LYS A 75 -7.947 -4.594 -0.112 1.00 0.00 C ATOM 1100 O LYS A 75 -6.724 -4.736 -0.112 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.086 -3.408 -1.997 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.135 -2.377 -2.374 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.494 -2.723 -1.788 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.259 -3.683 -2.687 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.732 -3.543 -2.520 1.00 0.00 N ATOM 0 H LYS A 75 -7.318 -1.812 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.452 -3.091 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.233 -3.308 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.498 -4.406 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.824 -1.394 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.211 -2.314 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.364 -3.171 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.075 -1.811 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.992 -3.497 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.963 -4.707 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.218 -4.214 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.990 -3.745 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.018 -2.573 -2.761 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.780 -5.573 0.270 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.306 -6.887 0.716 1.00 0.00 C ATOM 1121 C PRO A 76 -7.710 -7.706 -0.423 1.00 0.00 C ATOM 1122 O PRO A 76 -8.307 -7.826 -1.494 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.574 -7.558 1.251 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.690 -6.893 0.524 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.249 -5.473 0.296 1.00 0.00 C ATOM 0 HA PRO A 76 -7.507 -6.804 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.563 -8.632 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.668 -7.424 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.893 -7.395 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.610 -6.927 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.641 -5.076 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.593 -4.812 1.092 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.530 -8.268 -0.186 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.852 -9.077 -1.194 1.00 0.00 C ATOM 1135 C LEU A 77 -6.386 -10.507 -1.193 1.00 0.00 C ATOM 1136 O LEU A 77 -6.392 -11.192 -0.170 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.344 -9.084 -0.941 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.571 -10.268 -1.522 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.589 -10.224 -3.042 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.140 -10.277 -1.004 1.00 0.00 C ATOM 0 H LEU A 77 -6.023 -8.179 0.694 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.048 -8.636 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.923 -8.165 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.176 -9.060 0.136 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.059 -11.188 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.034 -11.075 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.619 -10.267 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.127 -9.298 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.605 -11.127 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.642 -9.352 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.147 -10.359 0.083 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.842 -10.969 -2.366 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.383 -12.322 -2.528 1.00 0.00 C ATOM 1154 C PRO A 78 -6.305 -13.394 -2.413 1.00 0.00 C ATOM 1155 O PRO A 78 -5.120 -13.118 -2.588 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.970 -12.302 -3.942 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.199 -11.248 -4.658 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.865 -10.206 -3.626 1.00 0.00 C ATOM 0 HA PRO A 78 -8.110 -12.566 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.862 -13.271 -4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.035 -12.071 -3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.294 -11.661 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.786 -10.819 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.903 -9.734 -3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.611 -9.411 -3.601 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.726 -14.621 -2.119 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.784 -15.717 -1.986 1.00 0.00 C ATOM 1168 C GLY A 79 -5.044 -15.688 -0.664 1.00 0.00 C ATOM 1169 O GLY A 79 -4.955 -16.703 0.027 1.00 0.00 O ATOM 0 H GLY A 79 -7.703 -14.875 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.317 -16.663 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.064 -15.674 -2.803 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.511 -14.523 -0.311 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.775 -14.367 0.938 1.00 0.00 C ATOM 1175 C ALA A 80 -4.566 -14.928 2.115 1.00 0.00 C ATOM 1176 O ALA A 80 -5.577 -14.358 2.525 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.442 -12.901 1.174 1.00 0.00 C ATOM 0 H ALA A 80 -4.575 -13.674 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.846 -14.931 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.893 -12.799 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.830 -12.530 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.364 -12.323 1.230 1.00 0.00 H new ATOM 1183 N THR A 81 -4.098 -16.049 2.655 1.00 0.00 N ATOM 1184 CA THR A 81 -4.763 -16.689 3.784 1.00 0.00 C ATOM 1185 C THR A 81 -4.045 -16.378 5.092 1.00 0.00 C ATOM 1186 O THR A 81 -2.816 -16.390 5.172 1.00 0.00 O ATOM 1187 CB THR A 81 -4.835 -18.216 3.601 1.00 0.00 C ATOM 1188 OG1 THR A 81 -5.617 -18.535 2.445 1.00 0.00 O ATOM 1189 CG2 THR A 81 -5.442 -18.880 4.828 1.00 0.00 C ATOM 0 H THR A 81 -3.261 -16.533 2.329 1.00 0.00 H new ATOM 0 HA THR A 81 -5.776 -16.288 3.824 1.00 0.00 H new ATOM 0 HB THR A 81 -3.820 -18.592 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.300 -18.010 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.483 -19.959 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.829 -18.660 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.450 -18.498 4.987 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.827 -16.093 6.144 1.00 0.00 N ATOM 1198 CA PRO A 82 -6.290 -16.075 6.060 1.00 0.00 C ATOM 1199 C PRO A 82 -6.809 -14.904 5.233 1.00 0.00 C ATOM 1200 O PRO A 82 -7.680 -15.072 4.379 1.00 0.00 O ATOM 1201 CB PRO A 82 -6.727 -15.933 7.520 1.00 0.00 C ATOM 1202 CG PRO A 82 -5.577 -15.271 8.197 1.00 0.00 C ATOM 1203 CD PRO A 82 -4.343 -15.766 7.495 1.00 0.00 C ATOM 0 HA PRO A 82 -6.681 -16.966 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.634 -15.335 7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.943 -16.904 7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.656 -14.186 8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.551 -15.523 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.563 -15.005 7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.920 -16.639 7.993 1.00 0.00 H new ATOM 1211 N ALA A 83 -6.269 -13.718 5.491 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.676 -12.519 4.768 1.00 0.00 C ATOM 1213 C ALA A 83 -5.632 -11.415 4.903 1.00 0.00 C ATOM 1214 O ALA A 83 -5.084 -11.194 5.983 1.00 0.00 O ATOM 1215 CB ALA A 83 -8.028 -12.034 5.269 1.00 0.00 C ATOM 0 H ALA A 83 -5.548 -13.561 6.196 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.762 -12.774 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.319 -11.138 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.774 -12.813 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.960 -11.803 6.332 1.00 0.00 H new ATOM 1221 N LYS A 84 -5.361 -10.726 3.800 1.00 0.00 N ATOM 1222 CA LYS A 84 -4.384 -9.644 3.794 1.00 0.00 C ATOM 1223 C LYS A 84 -4.928 -8.422 3.062 1.00 0.00 C ATOM 1224 O LYS A 84 -6.019 -8.463 2.493 1.00 0.00 O ATOM 1225 CB LYS A 84 -3.082 -10.108 3.136 1.00 0.00 C ATOM 1226 CG LYS A 84 -2.303 -11.110 3.971 1.00 0.00 C ATOM 1227 CD LYS A 84 -1.360 -10.415 4.939 1.00 0.00 C ATOM 1228 CE LYS A 84 0.008 -10.183 4.315 1.00 0.00 C ATOM 1229 NZ LYS A 84 -0.001 -9.029 3.373 1.00 0.00 N ATOM 0 H LYS A 84 -5.805 -10.898 2.898 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.183 -9.365 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.312 -10.555 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.452 -9.240 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.998 -11.740 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.733 -11.767 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.789 -9.460 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.252 -11.018 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.741 -10.004 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.323 -11.082 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.971 -8.688 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.399 -9.329 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.582 -8.263 3.769 1.00 0.00 H new ATOM 1243 N ARG A 85 -4.161 -7.337 3.078 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.568 -6.104 2.415 1.00 0.00 C ATOM 1245 C ARG A 85 -3.669 -5.809 1.218 1.00 0.00 C ATOM 1246 O ARG A 85 -2.567 -6.347 1.108 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.525 -4.933 3.398 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.205 -3.676 2.879 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.568 -2.730 4.012 1.00 0.00 C ATOM 1250 NE ARG A 85 -4.484 -1.801 4.319 1.00 0.00 N ATOM 1251 CZ ARG A 85 -3.448 -2.110 5.090 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -3.355 -3.318 5.629 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -2.501 -1.210 5.323 1.00 0.00 N ATOM 0 H ARG A 85 -3.254 -7.287 3.543 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.590 -6.233 2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.002 -5.235 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.485 -4.703 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.545 -3.167 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.106 -3.949 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.462 -2.167 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.813 -3.309 4.903 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.525 -0.863 3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.080 -4.013 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.558 -3.552 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.569 -0.280 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.706 -1.448 5.915 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.147 -4.951 0.322 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.388 -4.586 -0.868 1.00 0.00 C ATOM 1269 C PHE A 86 -2.469 -3.401 -0.584 1.00 0.00 C ATOM 1270 O PHE A 86 -2.907 -2.251 -0.568 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.336 -4.246 -2.019 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.636 -5.415 -2.914 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.618 -6.056 -3.602 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.934 -5.873 -3.067 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.891 -7.131 -4.427 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.213 -6.948 -3.890 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.190 -7.578 -4.570 1.00 0.00 C ATOM 0 H PHE A 86 -5.057 -4.496 0.398 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.774 -5.440 -1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.271 -3.864 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.898 -3.445 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.600 -5.712 -3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.738 -5.384 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.089 -7.621 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.230 -7.295 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.405 -8.419 -5.213 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.192 -3.691 -0.361 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.209 -2.652 -0.078 1.00 0.00 C ATOM 1289 C LYS A 87 0.493 -2.205 -1.356 1.00 0.00 C ATOM 1290 O LYS A 87 1.422 -2.863 -1.829 1.00 0.00 O ATOM 1291 CB LYS A 87 0.822 -3.157 0.933 1.00 0.00 C ATOM 1292 CG LYS A 87 1.501 -2.047 1.717 1.00 0.00 C ATOM 1293 CD LYS A 87 2.221 -2.588 2.940 1.00 0.00 C ATOM 1294 CE LYS A 87 2.711 -1.464 3.841 1.00 0.00 C ATOM 1295 NZ LYS A 87 3.813 -1.912 4.737 1.00 0.00 N ATOM 0 H LYS A 87 -0.813 -4.638 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.734 -1.796 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.332 -3.836 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.581 -3.735 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.213 -1.529 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.758 -1.312 2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.550 -3.239 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.067 -3.198 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.057 -0.632 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.881 -1.093 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.119 -1.118 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.476 -2.689 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.615 -2.242 4.163 1.00 0.00 H new ATOM 1309 N LEU A 88 0.047 -1.084 -1.911 1.00 0.00 N ATOM 1310 CA LEU A 88 0.634 -0.548 -3.134 1.00 0.00 C ATOM 1311 C LEU A 88 1.070 0.900 -2.940 1.00 0.00 C ATOM 1312 O LEU A 88 0.407 1.671 -2.248 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.367 -0.641 -4.287 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.050 -1.996 -4.475 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.036 -1.941 -5.632 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.015 -3.088 -4.705 1.00 0.00 C ATOM 0 H LEU A 88 -0.720 -0.528 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 88 1.514 -1.144 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.138 0.114 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.150 -0.386 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.602 -2.232 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.512 -2.914 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.796 -1.187 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.507 -1.682 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.519 -4.045 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.565 -2.857 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.652 -3.144 -3.845 1.00 0.00 H new ATOM 1328 N ASN A 89 2.190 1.264 -3.557 1.00 0.00 N ATOM 1329 CA ASN A 89 2.714 2.620 -3.454 1.00 0.00 C ATOM 1330 C ASN A 89 3.510 2.993 -4.701 1.00 0.00 C ATOM 1331 O ASN A 89 3.868 2.129 -5.503 1.00 0.00 O ATOM 1332 CB ASN A 89 3.598 2.755 -2.212 1.00 0.00 C ATOM 1333 CG ASN A 89 2.813 3.182 -0.987 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.606 2.395 -0.063 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.371 4.434 -0.975 1.00 0.00 N ATOM 0 H ASN A 89 2.752 0.638 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 89 1.869 3.303 -3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.087 1.802 -2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.386 3.483 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.836 4.778 -0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.566 5.051 -1.763 1.00 0.00 H new ATOM 1342 N TYR A 90 3.785 4.283 -4.857 1.00 0.00 N ATOM 1343 CA TYR A 90 4.537 4.770 -6.007 1.00 0.00 C ATOM 1344 C TYR A 90 5.946 4.185 -6.025 1.00 0.00 C ATOM 1345 O TYR A 90 6.630 4.154 -5.002 1.00 0.00 O ATOM 1346 CB TYR A 90 4.608 6.298 -5.986 1.00 0.00 C ATOM 1347 CG TYR A 90 3.351 6.970 -6.489 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.720 6.529 -7.646 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.794 8.045 -5.808 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.571 7.140 -8.110 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.644 8.661 -6.264 1.00 0.00 C ATOM 1352 CZ TYR A 90 1.037 8.205 -7.416 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.107 8.817 -7.874 1.00 0.00 O ATOM 0 H TYR A 90 3.498 5.010 -4.202 1.00 0.00 H new ATOM 0 HA TYR A 90 4.018 4.449 -6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.804 6.630 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.452 6.622 -6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.135 5.694 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.268 8.406 -4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.094 6.785 -9.012 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.223 9.495 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.351 9.549 -7.269 1.00 0.00 H new ATOM 1363 N ALA A 91 6.373 3.721 -7.195 1.00 0.00 N ATOM 1364 CA ALA A 91 7.700 3.139 -7.348 1.00 0.00 C ATOM 1365 C ALA A 91 8.784 4.128 -6.933 1.00 0.00 C ATOM 1366 O ALA A 91 9.946 3.756 -6.760 1.00 0.00 O ATOM 1367 CB ALA A 91 7.916 2.688 -8.785 1.00 0.00 C ATOM 0 H ALA A 91 5.818 3.737 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 91 7.767 2.271 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.911 2.255 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.167 1.941 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.824 3.545 -9.453 1.00 0.00 H new