USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 840 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 122 GLN : amide:sc= 1.44 K(o=2.7,f=-0.51) USER MOD Set 1.2: A 123 TYR OH : rot 128:sc= 1.25 USER MOD Set 2.1: A 112 SER OG : rot -82:sc= 1.21 USER MOD Set 2.2: A 115 GLN : amide:sc= 0.0627 K(o=1.3,f=-2.7) USER MOD Set 3.1: A 84 HIS : no HE2:sc= -2.97 K(o=-1.7,f=-2.3) USER MOD Set 3.2: A 93 TYR OH : rot -178:sc= 1.22 USER MOD Set 4.1: A 21 ASN : amide:sc= 1.04 K(o=2.2,f=-2.2) USER MOD Set 4.2: A 25 TYR OH : rot -174:sc= 1.17 USER MOD Single : A 17 LYS NZ :NH3+ -104:sc= 0.026 (180deg=-0.539) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 130:sc= -0.295 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -27:sc= 0.275 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 120:sc= -0.375 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -116:sc= 0.00598 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot -62:sc= 0.177 USER MOD Single : A 65 THR OG1 : rot 57:sc= 0.519 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -55:sc= 1.24 USER MOD Single : A 97 LYS NZ :NH3+ 148:sc= -0.0332 (180deg=-0.687) USER MOD Single : A 100 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0146) USER MOD Single : A 107 MET CE :methyl 172:sc= 0 (180deg=-0.0612) USER MOD Single : A 117 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -12.294 6.176 -2.581 1.00 0.00 N ATOM 63 CA GLY A 11 -11.844 4.903 -3.140 1.00 0.00 C ATOM 64 C GLY A 11 -10.353 4.893 -3.382 1.00 0.00 C ATOM 65 O GLY A 11 -9.887 4.291 -4.341 1.00 0.00 O ATOM 0 HA2 GLY A 11 -12.107 4.094 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.366 4.713 -4.078 1.00 0.00 H new ATOM 69 N LEU A 12 -9.551 5.542 -2.485 1.00 0.00 N ATOM 70 CA LEU A 12 -8.078 5.652 -2.477 1.00 0.00 C ATOM 71 C LEU A 12 -7.442 4.384 -1.936 1.00 0.00 C ATOM 72 O LEU A 12 -8.092 3.500 -1.363 1.00 0.00 O ATOM 73 CB LEU A 12 -7.693 6.873 -1.612 1.00 0.00 C ATOM 74 CG LEU A 12 -6.319 7.514 -1.285 1.00 0.00 C ATOM 75 CD1 LEU A 12 -5.945 8.677 -2.226 1.00 0.00 C ATOM 76 CD2 LEU A 12 -6.647 7.988 0.152 1.00 0.00 C ATOM 0 H LEU A 12 -9.960 6.036 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.710 5.785 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.274 7.692 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.122 6.651 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.454 6.860 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.973 9.078 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.900 8.314 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.698 9.462 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.776 8.485 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.485 8.685 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.912 7.128 0.767 1.00 0.00 H new ATOM 88 N ARG A 13 -6.115 4.277 -2.138 1.00 0.00 N ATOM 89 CA ARG A 13 -5.343 3.069 -1.850 1.00 0.00 C ATOM 90 C ARG A 13 -4.550 3.333 -0.597 1.00 0.00 C ATOM 91 O ARG A 13 -3.965 4.406 -0.470 1.00 0.00 O ATOM 92 CB ARG A 13 -4.421 2.648 -3.026 1.00 0.00 C ATOM 93 CG ARG A 13 -5.030 2.812 -4.432 1.00 0.00 C ATOM 94 CD ARG A 13 -6.231 1.901 -4.731 1.00 0.00 C ATOM 95 NE ARG A 13 -6.500 1.879 -6.214 1.00 0.00 N ATOM 96 CZ ARG A 13 -7.101 2.892 -6.913 1.00 0.00 C ATOM 97 NH1 ARG A 13 -7.511 4.037 -6.295 1.00 0.00 N ATOM 98 NH2 ARG A 13 -7.295 2.748 -8.258 1.00 0.00 N ATOM 0 H ARG A 13 -5.549 5.040 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.024 2.230 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.504 3.235 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.140 1.604 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.340 3.849 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.254 2.619 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.030 0.891 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.112 2.259 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.214 1.050 -6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.372 4.152 -5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.956 4.778 -6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.994 1.895 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.741 3.494 -8.792 1.00 0.00 H new ATOM 112 N VAL A 14 -4.499 2.419 0.408 1.00 0.00 N ATOM 113 CA VAL A 14 -3.789 2.710 1.659 1.00 0.00 C ATOM 114 C VAL A 14 -2.750 1.667 2.046 1.00 0.00 C ATOM 115 O VAL A 14 -2.790 0.499 1.676 1.00 0.00 O ATOM 116 CB VAL A 14 -4.633 3.298 2.839 1.00 0.00 C ATOM 117 CG1 VAL A 14 -5.521 4.444 2.330 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.560 2.384 3.635 1.00 0.00 C ATOM 0 H VAL A 14 -4.934 1.497 0.369 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.201 3.587 1.390 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.839 3.579 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.105 4.847 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.894 5.231 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.195 4.068 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.063 2.962 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.304 1.949 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.977 1.587 4.097 1.00 0.00 H new ATOM 128 N VAL A 15 -1.703 2.086 2.803 1.00 0.00 N ATOM 129 CA VAL A 15 -0.599 1.271 3.322 1.00 0.00 C ATOM 130 C VAL A 15 -0.687 1.332 4.812 1.00 0.00 C ATOM 131 O VAL A 15 -1.077 2.364 5.349 1.00 0.00 O ATOM 132 CB VAL A 15 0.795 1.601 2.829 1.00 0.00 C ATOM 133 CG1 VAL A 15 0.903 0.986 1.420 1.00 0.00 C ATOM 134 CG2 VAL A 15 1.087 3.112 2.849 1.00 0.00 C ATOM 0 H VAL A 15 -1.612 3.064 3.078 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.734 0.264 2.928 1.00 0.00 H new ATOM 0 HB VAL A 15 1.553 1.182 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.891 1.191 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.752 -0.092 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.143 1.423 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.099 3.292 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.374 3.629 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.995 3.487 3.868 1.00 0.00 H new ATOM 144 N ALA A 16 -0.391 0.177 5.465 1.00 0.00 N ATOM 145 CA ALA A 16 -0.696 -0.111 6.841 1.00 0.00 C ATOM 146 C ALA A 16 0.531 -0.321 7.714 1.00 0.00 C ATOM 147 O ALA A 16 1.240 -1.321 7.694 1.00 0.00 O ATOM 148 CB ALA A 16 -1.674 -1.325 6.764 1.00 0.00 C ATOM 0 H ALA A 16 0.088 -0.595 5.002 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.159 0.734 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.966 -1.621 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.561 -1.042 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.179 -2.161 6.270 1.00 0.00 H new ATOM 154 N LYS A 17 0.784 0.692 8.554 1.00 0.00 N ATOM 155 CA LYS A 17 1.876 0.774 9.479 1.00 0.00 C ATOM 156 C LYS A 17 1.328 1.329 10.796 1.00 0.00 C ATOM 157 O LYS A 17 1.299 2.538 10.955 1.00 0.00 O ATOM 158 CB LYS A 17 3.046 1.673 8.927 1.00 0.00 C ATOM 159 CG LYS A 17 2.822 2.504 7.634 1.00 0.00 C ATOM 160 CD LYS A 17 3.295 3.962 7.780 1.00 0.00 C ATOM 161 CE LYS A 17 4.799 4.172 7.586 1.00 0.00 C ATOM 162 NZ LYS A 17 5.191 5.570 7.878 1.00 0.00 N ATOM 0 H LYS A 17 0.184 1.516 8.593 1.00 0.00 H new ATOM 0 HA LYS A 17 2.303 -0.217 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.326 2.368 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.904 1.024 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.354 2.034 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.763 2.493 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.760 4.577 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.017 4.322 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.350 3.494 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.074 3.922 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.359 6.077 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.429 6.041 8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.061 5.575 8.448 1.00 0.00 H new ATOM 176 N TRP A 18 0.910 0.519 11.819 1.00 0.00 N ATOM 177 CA TRP A 18 0.506 1.035 13.148 1.00 0.00 C ATOM 178 C TRP A 18 1.718 1.549 13.958 1.00 0.00 C ATOM 179 O TRP A 18 1.807 2.710 14.352 1.00 0.00 O ATOM 180 CB TRP A 18 -0.270 -0.007 14.017 1.00 0.00 C ATOM 181 CG TRP A 18 -1.682 -0.349 13.595 1.00 0.00 C ATOM 182 CD1 TRP A 18 -2.258 -1.513 13.158 1.00 0.00 C ATOM 183 CD2 TRP A 18 -2.749 0.532 13.945 1.00 0.00 C ATOM 184 NE1 TRP A 18 -3.637 -1.406 13.217 1.00 0.00 N ATOM 185 CE2 TRP A 18 -3.943 -0.155 13.723 1.00 0.00 C ATOM 186 CE3 TRP A 18 -2.718 1.789 14.473 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -5.137 0.417 14.037 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -3.920 2.330 14.838 1.00 0.00 C ATOM 189 CH2 TRP A 18 -5.110 1.663 14.624 1.00 0.00 C ATOM 0 H TRP A 18 0.848 -0.496 11.737 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.171 1.860 12.927 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.310 -0.930 14.034 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.305 0.367 15.040 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.717 -2.384 12.818 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.308 -2.122 12.937 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.791 2.330 14.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.070 -0.087 13.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.939 3.303 15.305 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.038 2.127 14.923 1.00 0.00 H new ATOM 200 N SER A 19 2.721 0.669 14.160 1.00 0.00 N ATOM 201 CA SER A 19 4.012 0.989 14.736 1.00 0.00 C ATOM 202 C SER A 19 4.948 0.709 13.579 1.00 0.00 C ATOM 203 O SER A 19 4.779 -0.295 12.891 1.00 0.00 O ATOM 204 CB SER A 19 4.346 0.207 16.056 1.00 0.00 C ATOM 205 OG SER A 19 4.066 -1.199 16.010 1.00 0.00 O ATOM 0 H SER A 19 2.635 -0.317 13.912 1.00 0.00 H new ATOM 0 HA SER A 19 4.080 2.014 15.100 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.402 0.345 16.286 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.781 0.649 16.876 1.00 0.00 H new ATOM 0 HG SER A 19 4.304 -1.608 16.868 1.00 0.00 H new ATOM 211 N SER A 20 5.919 1.628 13.298 1.00 0.00 N ATOM 212 CA SER A 20 6.882 1.588 12.186 1.00 0.00 C ATOM 213 C SER A 20 7.872 0.439 12.315 1.00 0.00 C ATOM 214 O SER A 20 8.716 0.445 13.201 1.00 0.00 O ATOM 215 CB SER A 20 7.739 2.894 12.130 1.00 0.00 C ATOM 216 OG SER A 20 6.918 4.055 12.038 1.00 0.00 O ATOM 0 H SER A 20 6.046 2.456 13.880 1.00 0.00 H new ATOM 0 HA SER A 20 6.275 1.468 11.289 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.364 2.959 13.021 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.410 2.853 11.272 1.00 0.00 H new ATOM 0 HG SER A 20 7.484 4.854 12.007 1.00 0.00 H new ATOM 222 N ASN A 21 7.789 -0.597 11.449 1.00 0.00 N ATOM 223 CA ASN A 21 8.601 -1.805 11.599 1.00 0.00 C ATOM 224 C ASN A 21 9.859 -1.866 10.776 1.00 0.00 C ATOM 225 O ASN A 21 10.734 -2.702 10.978 1.00 0.00 O ATOM 226 CB ASN A 21 7.765 -3.036 11.149 1.00 0.00 C ATOM 227 CG ASN A 21 6.485 -3.175 11.957 1.00 0.00 C ATOM 228 OD1 ASN A 21 5.388 -3.206 11.391 1.00 0.00 O ATOM 229 ND2 ASN A 21 6.597 -3.268 13.304 1.00 0.00 N ATOM 0 H ASN A 21 7.165 -0.611 10.642 1.00 0.00 H new ATOM 0 HA ASN A 21 8.888 -1.797 12.650 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.519 -2.941 10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.363 -3.941 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.761 -3.367 13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.518 -3.239 13.742 1.00 0.00 H new ATOM 236 N GLY A 22 9.858 -1.052 9.720 1.00 0.00 N ATOM 237 CA GLY A 22 10.735 -1.177 8.579 1.00 0.00 C ATOM 238 C GLY A 22 9.949 -1.617 7.394 1.00 0.00 C ATOM 239 O GLY A 22 10.419 -1.393 6.293 1.00 0.00 O ATOM 0 H GLY A 22 9.218 -0.261 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.220 -0.223 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.526 -1.897 8.792 1.00 0.00 H new ATOM 243 N TYR A 23 8.727 -2.188 7.557 1.00 0.00 N ATOM 244 CA TYR A 23 7.748 -2.422 6.497 1.00 0.00 C ATOM 245 C TYR A 23 6.308 -2.092 6.848 1.00 0.00 C ATOM 246 O TYR A 23 5.929 -2.086 8.020 1.00 0.00 O ATOM 247 CB TYR A 23 7.937 -3.725 5.692 1.00 0.00 C ATOM 248 CG TYR A 23 8.317 -4.907 6.535 1.00 0.00 C ATOM 249 CD1 TYR A 23 7.462 -5.394 7.507 1.00 0.00 C ATOM 250 CD2 TYR A 23 9.516 -5.552 6.315 1.00 0.00 C ATOM 251 CE1 TYR A 23 7.800 -6.507 8.250 1.00 0.00 C ATOM 252 CE2 TYR A 23 9.850 -6.673 7.045 1.00 0.00 C ATOM 253 CZ TYR A 23 8.993 -7.152 8.012 1.00 0.00 C ATOM 254 OH TYR A 23 9.333 -8.309 8.738 1.00 0.00 O ATOM 0 H TYR A 23 8.398 -2.505 8.469 1.00 0.00 H new ATOM 0 HA TYR A 23 8.007 -1.647 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.012 -3.951 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.707 -3.566 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.520 -4.898 7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.198 -5.177 5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.131 -6.871 9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.787 -7.177 6.858 1.00 0.00 H new ATOM 0 HH TYR A 23 10.208 -8.636 8.442 1.00 0.00 H new ATOM 264 N PHE A 24 5.463 -1.853 5.797 1.00 0.00 N ATOM 265 CA PHE A 24 4.016 -1.605 5.846 1.00 0.00 C ATOM 266 C PHE A 24 3.298 -2.706 5.076 1.00 0.00 C ATOM 267 O PHE A 24 3.814 -3.215 4.077 1.00 0.00 O ATOM 268 CB PHE A 24 3.484 -0.198 5.336 1.00 0.00 C ATOM 269 CG PHE A 24 4.536 0.874 5.149 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.469 1.022 6.154 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.568 1.786 4.086 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.581 1.793 6.007 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.637 2.652 3.999 1.00 0.00 C ATOM 274 CZ PHE A 24 6.670 2.604 4.910 1.00 0.00 C ATOM 0 H PHE A 24 5.814 -1.831 4.840 1.00 0.00 H new ATOM 0 HA PHE A 24 3.794 -1.598 6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.971 -0.347 4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.741 0.168 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.312 0.508 7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.775 1.810 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.374 1.765 6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.666 3.381 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.552 3.208 4.757 1.00 0.00 H new ATOM 284 N TYR A 25 2.056 -3.010 5.545 1.00 0.00 N ATOM 285 CA TYR A 25 1.007 -3.946 5.118 1.00 0.00 C ATOM 286 C TYR A 25 0.027 -3.196 4.209 1.00 0.00 C ATOM 287 O TYR A 25 0.278 -2.050 3.858 1.00 0.00 O ATOM 288 CB TYR A 25 0.340 -4.611 6.372 1.00 0.00 C ATOM 289 CG TYR A 25 1.425 -4.934 7.389 1.00 0.00 C ATOM 290 CD1 TYR A 25 2.460 -5.803 7.079 1.00 0.00 C ATOM 291 CD2 TYR A 25 1.510 -4.216 8.573 1.00 0.00 C ATOM 292 CE1 TYR A 25 3.585 -5.880 7.879 1.00 0.00 C ATOM 293 CE2 TYR A 25 2.644 -4.279 9.365 1.00 0.00 C ATOM 294 CZ TYR A 25 3.697 -5.092 9.005 1.00 0.00 C ATOM 295 OH TYR A 25 4.902 -5.102 9.750 1.00 0.00 O ATOM 0 H TYR A 25 1.728 -2.510 6.372 1.00 0.00 H new ATOM 0 HA TYR A 25 1.418 -4.770 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.398 -3.938 6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.188 -5.519 6.082 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.386 -6.428 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.679 -3.599 8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.381 -6.562 7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.704 -3.689 10.268 1.00 0.00 H new ATOM 0 HH TYR A 25 4.788 -4.568 10.564 1.00 0.00 H new ATOM 305 N SER A 26 -1.100 -3.770 3.729 1.00 0.00 N ATOM 306 CA SER A 26 -2.023 -3.026 2.850 1.00 0.00 C ATOM 307 C SER A 26 -3.508 -2.929 3.252 1.00 0.00 C ATOM 308 O SER A 26 -4.097 -3.801 3.896 1.00 0.00 O ATOM 309 CB SER A 26 -1.889 -3.581 1.434 1.00 0.00 C ATOM 310 OG SER A 26 -2.520 -2.754 0.443 1.00 0.00 O ATOM 0 H SER A 26 -1.386 -4.728 3.932 1.00 0.00 H new ATOM 0 HA SER A 26 -1.701 -1.989 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.832 -3.687 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.326 -4.579 1.398 1.00 0.00 H new ATOM 0 HG SER A 26 -1.892 -2.585 -0.290 1.00 0.00 H new ATOM 316 N GLY A 27 -4.081 -1.765 2.836 1.00 0.00 N ATOM 317 CA GLY A 27 -5.365 -1.133 3.096 1.00 0.00 C ATOM 318 C GLY A 27 -6.089 -0.465 1.939 1.00 0.00 C ATOM 319 O GLY A 27 -5.554 -0.224 0.860 1.00 0.00 O ATOM 0 H GLY A 27 -3.543 -1.168 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.030 -1.891 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.214 -0.382 3.871 1.00 0.00 H new ATOM 323 N LYS A 28 -7.389 -0.145 2.172 1.00 0.00 N ATOM 324 CA LYS A 28 -8.290 0.641 1.304 1.00 0.00 C ATOM 325 C LYS A 28 -9.098 1.672 2.106 1.00 0.00 C ATOM 326 O LYS A 28 -9.595 1.344 3.179 1.00 0.00 O ATOM 327 CB LYS A 28 -9.280 -0.257 0.521 1.00 0.00 C ATOM 328 CG LYS A 28 -10.096 -1.252 1.360 1.00 0.00 C ATOM 329 CD LYS A 28 -10.933 -2.191 0.480 1.00 0.00 C ATOM 330 CE LYS A 28 -11.678 -3.263 1.283 1.00 0.00 C ATOM 331 NZ LYS A 28 -12.444 -4.162 0.390 1.00 0.00 N ATOM 0 H LYS A 28 -7.859 -0.450 3.024 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.640 1.156 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.974 0.387 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.718 -0.818 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.422 -1.842 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.754 -0.704 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.655 -1.602 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.281 -2.677 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.965 -3.846 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.355 -2.786 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.939 -4.878 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.139 -3.607 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.793 -4.634 -0.269 1.00 0.00 H new ATOM 345 N ILE A 29 -9.292 2.953 1.671 1.00 0.00 N ATOM 346 CA ILE A 29 -10.089 3.922 2.448 1.00 0.00 C ATOM 347 C ILE A 29 -11.441 4.193 1.801 1.00 0.00 C ATOM 348 O ILE A 29 -11.582 4.123 0.580 1.00 0.00 O ATOM 349 CB ILE A 29 -9.253 5.151 2.749 1.00 0.00 C ATOM 350 CG1 ILE A 29 -9.919 6.372 3.438 1.00 0.00 C ATOM 351 CG2 ILE A 29 -8.590 5.574 1.457 1.00 0.00 C ATOM 352 CD1 ILE A 29 -10.435 7.489 2.521 1.00 0.00 C ATOM 0 H ILE A 29 -8.910 3.323 0.801 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.351 3.495 3.416 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.561 4.824 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.755 6.010 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.197 6.807 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.978 6.458 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.960 4.764 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.354 5.805 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.877 8.281 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.607 7.895 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.189 7.086 1.845 1.00 0.00 H new ATOM 364 N THR A 30 -12.459 4.466 2.660 1.00 0.00 N ATOM 365 CA THR A 30 -13.863 4.669 2.336 1.00 0.00 C ATOM 366 C THR A 30 -14.315 6.109 2.560 1.00 0.00 C ATOM 367 O THR A 30 -15.128 6.638 1.805 1.00 0.00 O ATOM 368 CB THR A 30 -14.761 3.731 3.154 1.00 0.00 C ATOM 369 OG1 THR A 30 -14.642 3.953 4.557 1.00 0.00 O ATOM 370 CG2 THR A 30 -14.350 2.266 2.919 1.00 0.00 C ATOM 0 H THR A 30 -12.289 4.552 3.662 1.00 0.00 H new ATOM 0 HA THR A 30 -13.961 4.442 1.274 1.00 0.00 H new ATOM 0 HB THR A 30 -15.782 3.932 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.755 4.319 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.994 1.609 3.504 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.451 2.025 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.313 2.125 3.225 1.00 0.00 H new ATOM 378 N ARG A 31 -13.830 6.779 3.648 1.00 0.00 N ATOM 379 CA ARG A 31 -14.259 8.138 3.951 1.00 0.00 C ATOM 380 C ARG A 31 -13.032 8.834 4.492 1.00 0.00 C ATOM 381 O ARG A 31 -12.131 8.191 5.038 1.00 0.00 O ATOM 382 CB ARG A 31 -15.367 8.236 5.055 1.00 0.00 C ATOM 383 CG ARG A 31 -16.652 7.409 4.844 1.00 0.00 C ATOM 384 CD ARG A 31 -17.605 7.519 6.047 1.00 0.00 C ATOM 385 NE ARG A 31 -18.119 8.931 6.136 1.00 0.00 N ATOM 386 CZ ARG A 31 -18.761 9.429 7.238 1.00 0.00 C ATOM 387 NH1 ARG A 31 -18.991 8.644 8.331 1.00 0.00 N ATOM 388 NH2 ARG A 31 -19.173 10.731 7.244 1.00 0.00 N ATOM 0 H ARG A 31 -13.155 6.390 4.306 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.683 8.572 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.924 7.935 6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.652 9.283 5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -17.162 7.752 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.389 6.364 4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.436 6.822 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.085 7.249 6.966 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.982 9.548 5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.683 7.672 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.471 9.030 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.002 11.324 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.652 11.111 8.061 1.00 0.00 H new ATOM 402 N ASP A 32 -12.955 10.182 4.399 1.00 0.00 N ATOM 403 CA ASP A 32 -11.835 10.963 4.924 1.00 0.00 C ATOM 404 C ASP A 32 -12.202 11.486 6.314 1.00 0.00 C ATOM 405 O ASP A 32 -13.256 12.092 6.495 1.00 0.00 O ATOM 406 CB ASP A 32 -11.474 12.130 3.951 1.00 0.00 C ATOM 407 CG ASP A 32 -10.084 12.725 4.226 1.00 0.00 C ATOM 408 OD1 ASP A 32 -9.081 11.991 4.030 1.00 0.00 O ATOM 409 OD2 ASP A 32 -10.015 13.916 4.631 1.00 0.00 O ATOM 0 H ASP A 32 -13.676 10.751 3.954 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.952 10.330 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.512 11.766 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.224 12.916 4.039 1.00 0.00 H new ATOM 414 N VAL A 33 -11.324 11.250 7.326 1.00 0.00 N ATOM 415 CA VAL A 33 -11.501 11.711 8.704 1.00 0.00 C ATOM 416 C VAL A 33 -10.512 12.852 8.886 1.00 0.00 C ATOM 417 O VAL A 33 -9.375 12.749 8.447 1.00 0.00 O ATOM 418 CB VAL A 33 -11.427 10.626 9.836 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.883 10.154 10.058 1.00 0.00 C ATOM 420 CG2 VAL A 33 -10.475 9.406 9.617 1.00 0.00 C ATOM 0 H VAL A 33 -10.461 10.723 7.190 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.534 12.034 8.831 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.969 11.102 10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.904 9.393 10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.498 11.001 10.361 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.275 9.734 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.529 8.743 10.480 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.779 8.863 8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.451 9.760 9.496 1.00 0.00 H new ATOM 430 N GLY A 34 -10.936 13.977 9.536 1.00 0.00 N ATOM 431 CA GLY A 34 -10.207 15.214 9.904 1.00 0.00 C ATOM 432 C GLY A 34 -9.074 15.783 9.054 1.00 0.00 C ATOM 433 O GLY A 34 -9.170 15.918 7.837 1.00 0.00 O ATOM 0 H GLY A 34 -11.906 14.037 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.955 16.002 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.797 15.049 10.900 1.00 0.00 H new ATOM 437 N ALA A 35 -7.945 16.162 9.713 1.00 0.00 N ATOM 438 CA ALA A 35 -6.715 16.619 9.082 1.00 0.00 C ATOM 439 C ALA A 35 -5.692 15.520 9.172 1.00 0.00 C ATOM 440 O ALA A 35 -5.190 15.176 10.240 1.00 0.00 O ATOM 441 CB ALA A 35 -6.212 17.912 9.760 1.00 0.00 C ATOM 0 H ALA A 35 -7.883 16.151 10.731 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.896 16.852 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.292 18.242 9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.970 18.690 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.019 17.718 10.815 1.00 0.00 H new ATOM 447 N GLY A 36 -5.355 14.945 7.997 1.00 0.00 N ATOM 448 CA GLY A 36 -4.393 13.885 7.821 1.00 0.00 C ATOM 449 C GLY A 36 -4.861 12.509 8.165 1.00 0.00 C ATOM 450 O GLY A 36 -4.026 11.616 8.221 1.00 0.00 O ATOM 0 H GLY A 36 -5.778 15.236 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.067 13.887 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.518 14.112 8.429 1.00 0.00 H new ATOM 454 N LYS A 37 -6.176 12.277 8.423 1.00 0.00 N ATOM 455 CA LYS A 37 -6.700 10.965 8.782 1.00 0.00 C ATOM 456 C LYS A 37 -7.503 10.324 7.645 1.00 0.00 C ATOM 457 O LYS A 37 -7.902 10.940 6.658 1.00 0.00 O ATOM 458 CB LYS A 37 -7.326 10.863 10.225 1.00 0.00 C ATOM 459 CG LYS A 37 -7.694 12.111 11.040 1.00 0.00 C ATOM 460 CD LYS A 37 -8.372 11.692 12.359 1.00 0.00 C ATOM 461 CE LYS A 37 -8.809 12.901 13.194 1.00 0.00 C ATOM 462 NZ LYS A 37 -9.499 12.472 14.432 1.00 0.00 N ATOM 0 H LYS A 37 -6.889 13.006 8.383 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.830 10.319 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.235 10.268 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.628 10.286 10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.799 12.696 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.363 12.749 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.241 11.072 12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.683 11.080 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.938 13.504 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.473 13.533 12.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.784 13.310 14.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.343 11.916 14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.855 11.888 15.004 1.00 0.00 H new ATOM 476 N TYR A 38 -7.730 8.988 7.773 1.00 0.00 N ATOM 477 CA TYR A 38 -8.395 8.085 6.832 1.00 0.00 C ATOM 478 C TYR A 38 -9.335 7.121 7.616 1.00 0.00 C ATOM 479 O TYR A 38 -8.935 6.625 8.672 1.00 0.00 O ATOM 480 CB TYR A 38 -7.261 7.319 6.068 1.00 0.00 C ATOM 481 CG TYR A 38 -6.426 8.306 5.258 1.00 0.00 C ATOM 482 CD1 TYR A 38 -6.984 8.971 4.181 1.00 0.00 C ATOM 483 CD2 TYR A 38 -5.140 8.667 5.651 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.319 10.023 3.584 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.413 9.640 4.969 1.00 0.00 C ATOM 486 CZ TYR A 38 -5.051 10.381 3.983 1.00 0.00 C ATOM 487 OH TYR A 38 -4.468 11.519 3.363 1.00 0.00 O ATOM 0 H TYR A 38 -7.423 8.489 8.608 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.020 8.619 6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.626 6.788 6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.697 6.569 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.948 8.664 3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.695 8.180 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.802 10.574 2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.373 9.815 5.203 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.265 12.194 4.044 1.00 0.00 H new ATOM 497 N LYS A 39 -10.622 6.859 7.161 1.00 0.00 N ATOM 498 CA LYS A 39 -11.621 5.940 7.769 1.00 0.00 C ATOM 499 C LYS A 39 -11.614 4.838 6.775 1.00 0.00 C ATOM 500 O LYS A 39 -12.018 4.951 5.617 1.00 0.00 O ATOM 501 CB LYS A 39 -13.031 6.582 7.905 1.00 0.00 C ATOM 502 CG LYS A 39 -14.243 5.621 7.900 1.00 0.00 C ATOM 503 CD LYS A 39 -14.274 4.544 8.995 1.00 0.00 C ATOM 504 CE LYS A 39 -15.339 3.482 8.694 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.706 4.002 8.922 1.00 0.00 N ATOM 0 H LYS A 39 -10.987 7.313 6.323 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.384 5.643 8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.055 7.153 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.159 7.294 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.151 6.218 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.278 5.122 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.295 4.071 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.480 5.007 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.242 3.152 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.171 2.609 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.401 3.258 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.805 4.294 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.874 4.820 8.302 1.00 0.00 H new ATOM 519 N LEU A 40 -10.924 3.794 7.217 1.00 0.00 N ATOM 520 CA LEU A 40 -10.410 2.816 6.307 1.00 0.00 C ATOM 521 C LEU A 40 -10.602 1.416 6.699 1.00 0.00 C ATOM 522 O LEU A 40 -10.880 1.100 7.842 1.00 0.00 O ATOM 523 CB LEU A 40 -8.925 3.150 6.096 1.00 0.00 C ATOM 524 CG LEU A 40 -7.980 2.916 7.306 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.528 2.972 8.739 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.197 1.619 7.090 1.00 0.00 C ATOM 0 H LEU A 40 -10.715 3.616 8.199 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.985 2.881 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.558 2.557 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.850 4.197 5.803 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.363 3.814 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.719 2.784 9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.953 3.958 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.301 2.214 8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.532 1.450 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.893 0.784 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.608 1.697 6.176 1.00 0.00 H new ATOM 538 N LEU A 41 -10.411 0.474 5.780 1.00 0.00 N ATOM 539 CA LEU A 41 -10.372 -0.916 6.128 1.00 0.00 C ATOM 540 C LEU A 41 -9.143 -1.509 5.533 1.00 0.00 C ATOM 541 O LEU A 41 -8.688 -1.032 4.513 1.00 0.00 O ATOM 542 CB LEU A 41 -11.771 -1.349 5.700 1.00 0.00 C ATOM 543 CG LEU A 41 -12.261 -2.781 5.969 1.00 0.00 C ATOM 544 CD1 LEU A 41 -13.786 -2.889 5.794 1.00 0.00 C ATOM 545 CD2 LEU A 41 -11.610 -3.748 4.996 1.00 0.00 C ATOM 0 H LEU A 41 -10.282 0.664 4.786 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.239 -1.238 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.478 -0.672 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.846 -1.180 4.626 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.992 -3.029 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.103 -3.913 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.281 -2.215 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.055 -2.615 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.964 -4.759 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.870 -3.467 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.527 -3.712 5.117 1.00 0.00 H new ATOM 557 N PHE A 42 -8.510 -2.579 6.073 1.00 0.00 N ATOM 558 CA PHE A 42 -7.338 -3.195 5.398 1.00 0.00 C ATOM 559 C PHE A 42 -7.748 -3.982 4.133 1.00 0.00 C ATOM 560 O PHE A 42 -8.920 -4.277 3.930 1.00 0.00 O ATOM 561 CB PHE A 42 -6.498 -4.178 6.292 1.00 0.00 C ATOM 562 CG PHE A 42 -5.604 -3.496 7.312 1.00 0.00 C ATOM 563 CD1 PHE A 42 -5.903 -2.303 7.963 1.00 0.00 C ATOM 564 CD2 PHE A 42 -4.428 -4.142 7.664 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.049 -1.787 8.917 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.590 -3.642 8.641 1.00 0.00 C ATOM 567 CZ PHE A 42 -3.898 -2.457 9.271 1.00 0.00 C ATOM 0 H PHE A 42 -8.780 -3.025 6.950 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.716 -2.334 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.182 -4.846 6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.880 -4.799 5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.813 -1.775 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.161 -5.060 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.286 -0.846 9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.693 -4.180 8.911 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.245 -2.058 10.033 1.00 0.00 H new ATOM 577 N ASP A 43 -6.813 -4.436 3.243 1.00 0.00 N ATOM 578 CA ASP A 43 -7.147 -5.219 2.022 1.00 0.00 C ATOM 579 C ASP A 43 -7.677 -6.634 2.333 1.00 0.00 C ATOM 580 O ASP A 43 -8.100 -7.400 1.473 1.00 0.00 O ATOM 581 CB ASP A 43 -5.926 -5.283 1.043 1.00 0.00 C ATOM 582 CG ASP A 43 -6.261 -5.869 -0.341 1.00 0.00 C ATOM 583 OD1 ASP A 43 -7.146 -5.297 -1.029 1.00 0.00 O ATOM 584 OD2 ASP A 43 -5.648 -6.905 -0.712 1.00 0.00 O ATOM 0 H ASP A 43 -5.813 -4.268 3.356 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.962 -4.686 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.525 -4.278 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.139 -5.883 1.499 1.00 0.00 H new ATOM 589 N ASP A 44 -7.646 -6.966 3.634 1.00 0.00 N ATOM 590 CA ASP A 44 -8.044 -8.205 4.241 1.00 0.00 C ATOM 591 C ASP A 44 -9.091 -8.075 5.378 1.00 0.00 C ATOM 592 O ASP A 44 -9.329 -9.053 6.079 1.00 0.00 O ATOM 593 CB ASP A 44 -6.716 -8.962 4.554 1.00 0.00 C ATOM 594 CG ASP A 44 -5.841 -8.269 5.611 1.00 0.00 C ATOM 595 OD1 ASP A 44 -6.173 -8.364 6.822 1.00 0.00 O ATOM 596 OD2 ASP A 44 -4.824 -7.639 5.213 1.00 0.00 O ATOM 0 H ASP A 44 -7.309 -6.302 4.332 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.643 -8.815 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.955 -9.969 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.143 -9.067 3.633 1.00 0.00 H new ATOM 601 N GLY A 45 -9.814 -6.915 5.554 1.00 0.00 N ATOM 602 CA GLY A 45 -11.027 -6.826 6.399 1.00 0.00 C ATOM 603 C GLY A 45 -10.972 -6.199 7.767 1.00 0.00 C ATOM 604 O GLY A 45 -11.974 -6.213 8.475 1.00 0.00 O ATOM 0 H GLY A 45 -9.562 -6.032 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.776 -6.279 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.402 -7.841 6.527 1.00 0.00 H new ATOM 608 N TYR A 46 -9.834 -5.616 8.204 1.00 0.00 N ATOM 609 CA TYR A 46 -9.703 -4.951 9.502 1.00 0.00 C ATOM 610 C TYR A 46 -10.004 -3.454 9.357 1.00 0.00 C ATOM 611 O TYR A 46 -9.173 -2.698 8.866 1.00 0.00 O ATOM 612 CB TYR A 46 -8.268 -5.189 10.100 1.00 0.00 C ATOM 613 CG TYR A 46 -8.057 -4.522 11.448 1.00 0.00 C ATOM 614 CD1 TYR A 46 -8.681 -4.999 12.585 1.00 0.00 C ATOM 615 CD2 TYR A 46 -7.361 -3.328 11.528 1.00 0.00 C ATOM 616 CE1 TYR A 46 -8.636 -4.287 13.770 1.00 0.00 C ATOM 617 CE2 TYR A 46 -7.331 -2.609 12.701 1.00 0.00 C ATOM 618 CZ TYR A 46 -7.971 -3.078 13.823 1.00 0.00 C ATOM 619 OH TYR A 46 -7.974 -2.287 14.988 1.00 0.00 O ATOM 0 H TYR A 46 -8.976 -5.598 7.653 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.427 -5.379 10.196 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.099 -6.261 10.203 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.523 -4.815 9.397 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.210 -5.940 12.548 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.836 -2.957 10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.121 -4.676 14.653 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.800 -1.669 12.740 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.451 -1.473 14.832 1.00 0.00 H new ATOM 629 N GLU A 47 -11.184 -2.962 9.815 1.00 0.00 N ATOM 630 CA GLU A 47 -11.539 -1.537 9.776 1.00 0.00 C ATOM 631 C GLU A 47 -11.309 -0.772 11.056 1.00 0.00 C ATOM 632 O GLU A 47 -11.325 -1.316 12.161 1.00 0.00 O ATOM 633 CB GLU A 47 -12.934 -1.291 9.151 1.00 0.00 C ATOM 634 CG GLU A 47 -13.511 0.148 9.158 1.00 0.00 C ATOM 635 CD GLU A 47 -14.625 0.213 8.117 1.00 0.00 C ATOM 636 OE1 GLU A 47 -15.719 -0.355 8.384 1.00 0.00 O ATOM 637 OE2 GLU A 47 -14.395 0.817 7.035 1.00 0.00 O ATOM 0 H GLU A 47 -11.911 -3.551 10.221 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.808 -1.099 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.895 -1.626 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.646 -1.935 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.897 0.399 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.730 0.873 8.927 1.00 0.00 H new ATOM 644 N CYS A 48 -11.029 0.554 10.882 1.00 0.00 N ATOM 645 CA CYS A 48 -10.652 1.432 11.956 1.00 0.00 C ATOM 646 C CYS A 48 -10.776 2.832 11.399 1.00 0.00 C ATOM 647 O CYS A 48 -11.043 3.004 10.211 1.00 0.00 O ATOM 648 CB CYS A 48 -9.179 1.133 12.421 1.00 0.00 C ATOM 649 SG CYS A 48 -7.977 0.603 11.143 1.00 0.00 S ATOM 0 H CYS A 48 -11.068 1.016 9.973 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.285 1.298 12.833 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.788 2.032 12.898 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.219 0.358 13.187 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.579 -0.608 11.397 1.00 0.00 H new ATOM 655 N ASP A 49 -10.517 3.877 12.224 1.00 0.00 N ATOM 656 CA ASP A 49 -10.286 5.237 11.750 1.00 0.00 C ATOM 657 C ASP A 49 -8.940 5.508 12.382 1.00 0.00 C ATOM 658 O ASP A 49 -8.729 5.139 13.543 1.00 0.00 O ATOM 659 CB ASP A 49 -11.150 6.400 12.328 1.00 0.00 C ATOM 660 CG ASP A 49 -12.622 6.228 11.964 1.00 0.00 C ATOM 661 OD1 ASP A 49 -13.235 5.223 12.415 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.168 7.111 11.255 1.00 0.00 O ATOM 0 H ASP A 49 -10.465 3.785 13.239 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.458 5.244 10.674 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.042 6.432 13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.786 7.353 11.943 1.00 0.00 H new ATOM 667 N VAL A 50 -7.998 6.128 11.643 1.00 0.00 N ATOM 668 CA VAL A 50 -6.656 6.370 12.150 1.00 0.00 C ATOM 669 C VAL A 50 -6.054 7.624 11.597 1.00 0.00 C ATOM 670 O VAL A 50 -6.462 8.052 10.520 1.00 0.00 O ATOM 671 CB VAL A 50 -5.693 5.263 11.706 1.00 0.00 C ATOM 672 CG1 VAL A 50 -6.008 3.985 12.482 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.812 5.050 10.174 1.00 0.00 C ATOM 0 H VAL A 50 -8.154 6.466 10.693 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.772 6.425 13.232 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.663 5.547 11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.327 3.193 12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.888 4.169 13.550 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.035 3.680 12.280 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.126 4.262 9.862 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.833 4.762 9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.560 5.976 9.657 1.00 0.00 H new ATOM 683 N LEU A 51 -4.978 8.181 12.251 1.00 0.00 N ATOM 684 CA LEU A 51 -4.178 9.294 11.742 1.00 0.00 C ATOM 685 C LEU A 51 -3.146 8.777 10.777 1.00 0.00 C ATOM 686 O LEU A 51 -2.584 7.693 10.929 1.00 0.00 O ATOM 687 CB LEU A 51 -3.570 10.123 12.907 1.00 0.00 C ATOM 688 CG LEU A 51 -3.284 11.629 12.671 1.00 0.00 C ATOM 689 CD1 LEU A 51 -2.192 11.986 11.653 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.546 12.393 12.296 1.00 0.00 C ATOM 0 H LEU A 51 -4.658 7.845 13.159 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.818 9.983 11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.245 10.043 13.759 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.633 9.649 13.198 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.896 11.933 13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.097 13.070 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.242 11.557 11.973 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.461 11.585 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.302 13.444 12.139 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.964 11.977 11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.276 12.306 13.100 1.00 0.00 H new ATOM 702 N GLY A 52 -3.063 9.490 9.627 1.00 0.00 N ATOM 703 CA GLY A 52 -2.704 8.959 8.330 1.00 0.00 C ATOM 704 C GLY A 52 -1.297 8.492 8.197 1.00 0.00 C ATOM 705 O GLY A 52 -1.061 7.499 7.556 1.00 0.00 O ATOM 0 H GLY A 52 -3.256 10.491 9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.368 8.126 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.886 9.728 7.579 1.00 0.00 H new ATOM 709 N LYS A 53 -0.284 9.093 8.878 1.00 0.00 N ATOM 710 CA LYS A 53 1.139 8.653 8.859 1.00 0.00 C ATOM 711 C LYS A 53 1.430 7.193 9.406 1.00 0.00 C ATOM 712 O LYS A 53 2.573 6.771 9.574 1.00 0.00 O ATOM 713 CB LYS A 53 2.031 9.678 9.644 1.00 0.00 C ATOM 714 CG LYS A 53 2.196 9.525 11.186 1.00 0.00 C ATOM 715 CD LYS A 53 0.911 9.615 12.032 1.00 0.00 C ATOM 716 CE LYS A 53 1.073 9.068 13.462 1.00 0.00 C ATOM 717 NZ LYS A 53 2.066 9.847 14.233 1.00 0.00 N ATOM 0 H LYS A 53 -0.436 9.912 9.467 1.00 0.00 H new ATOM 0 HA LYS A 53 1.390 8.618 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.028 9.648 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.629 10.673 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.667 8.562 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.886 10.294 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.593 10.656 12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.116 9.064 11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.111 9.095 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.382 8.024 13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.150 9.451 15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.989 9.800 13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.758 10.838 14.294 1.00 0.00 H new ATOM 731 N ASP A 54 0.329 6.434 9.662 1.00 0.00 N ATOM 732 CA ASP A 54 0.130 5.067 10.053 1.00 0.00 C ATOM 733 C ASP A 54 -0.613 4.335 8.931 1.00 0.00 C ATOM 734 O ASP A 54 -0.053 3.508 8.230 1.00 0.00 O ATOM 735 CB ASP A 54 -0.700 4.899 11.366 1.00 0.00 C ATOM 736 CG ASP A 54 -0.002 5.570 12.548 1.00 0.00 C ATOM 737 OD1 ASP A 54 1.209 5.298 12.762 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.683 6.355 13.261 1.00 0.00 O ATOM 0 H ASP A 54 -0.583 6.881 9.572 1.00 0.00 H new ATOM 0 HA ASP A 54 1.121 4.653 10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.691 5.332 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.842 3.839 11.577 1.00 0.00 H new ATOM 743 N ILE A 55 -1.940 4.564 8.704 1.00 0.00 N ATOM 744 CA ILE A 55 -2.696 3.860 7.650 1.00 0.00 C ATOM 745 C ILE A 55 -3.208 4.920 6.657 1.00 0.00 C ATOM 746 O ILE A 55 -4.125 5.689 6.955 1.00 0.00 O ATOM 747 CB ILE A 55 -3.757 2.882 8.181 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.464 2.311 9.609 1.00 0.00 C ATOM 749 CG2 ILE A 55 -3.935 1.756 7.138 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.290 1.333 9.778 1.00 0.00 C ATOM 0 H ILE A 55 -2.497 5.230 9.240 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.037 3.177 7.114 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.685 3.439 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.291 3.156 10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.367 1.810 9.958 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.684 1.048 7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.261 2.186 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.986 1.239 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.217 1.029 10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.456 0.454 9.155 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.363 1.822 9.477 1.00 0.00 H new ATOM 762 N LEU A 56 -2.496 5.033 5.496 1.00 0.00 N ATOM 763 CA LEU A 56 -2.571 6.166 4.557 1.00 0.00 C ATOM 764 C LEU A 56 -2.654 6.015 3.083 1.00 0.00 C ATOM 765 O LEU A 56 -2.129 5.029 2.585 1.00 0.00 O ATOM 766 CB LEU A 56 -1.389 7.066 4.858 1.00 0.00 C ATOM 767 CG LEU A 56 -0.448 7.713 3.840 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.349 8.627 4.763 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.411 6.748 2.988 1.00 0.00 C ATOM 0 H LEU A 56 -1.841 4.313 5.191 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.579 6.526 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.794 7.891 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.746 6.488 5.522 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.970 8.217 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.087 9.179 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.326 9.329 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.857 8.028 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.036 7.324 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.045 6.150 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.242 6.089 2.415 1.00 0.00 H new ATOM 781 N LEU A 57 -3.154 7.077 2.360 1.00 0.00 N ATOM 782 CA LEU A 57 -3.225 7.345 0.931 1.00 0.00 C ATOM 783 C LEU A 57 -1.955 7.200 0.136 1.00 0.00 C ATOM 784 O LEU A 57 -0.996 7.947 0.164 1.00 0.00 O ATOM 785 CB LEU A 57 -3.766 8.798 0.762 1.00 0.00 C ATOM 786 CG LEU A 57 -3.036 10.170 0.712 1.00 0.00 C ATOM 787 CD1 LEU A 57 -2.021 10.371 1.823 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.502 10.581 -0.676 1.00 0.00 C ATOM 0 H LEU A 57 -3.568 7.858 2.869 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.874 6.571 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.334 8.764 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.487 8.909 1.572 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.838 10.881 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.556 11.351 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.522 10.309 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.255 9.598 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.010 11.551 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.786 9.837 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.331 10.646 -1.380 1.00 0.00 H new ATOM 800 N CYS A 58 -1.892 6.094 -0.562 1.00 0.00 N ATOM 801 CA CYS A 58 -0.855 5.611 -1.368 1.00 0.00 C ATOM 802 C CYS A 58 -1.468 5.345 -2.752 1.00 0.00 C ATOM 803 O CYS A 58 -2.668 5.438 -2.990 1.00 0.00 O ATOM 804 CB CYS A 58 -0.274 4.448 -0.508 1.00 0.00 C ATOM 805 SG CYS A 58 1.543 4.539 -0.320 1.00 0.00 S ATOM 0 H CYS A 58 -2.680 5.446 -0.561 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.006 6.246 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.737 4.466 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.539 3.496 -0.967 1.00 0.00 H new ATOM 0 HG CYS A 58 2.106 4.435 -1.487 1.00 0.00 H new ATOM 811 N ASP A 59 -0.587 4.963 -3.682 1.00 0.00 N ATOM 812 CA ASP A 59 -0.776 4.347 -5.019 1.00 0.00 C ATOM 813 C ASP A 59 -1.016 2.822 -4.820 1.00 0.00 C ATOM 814 O ASP A 59 -1.933 2.293 -5.444 1.00 0.00 O ATOM 815 CB ASP A 59 0.345 4.668 -6.090 1.00 0.00 C ATOM 816 CG ASP A 59 -0.223 5.087 -7.458 1.00 0.00 C ATOM 817 OD1 ASP A 59 -1.374 4.702 -7.794 1.00 0.00 O ATOM 818 OD2 ASP A 59 0.510 5.808 -8.187 1.00 0.00 O ATOM 0 H ASP A 59 0.408 5.091 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.652 4.812 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.984 5.465 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.976 3.789 -6.220 1.00 0.00 H new ATOM 823 N PRO A 60 -0.289 2.037 -3.962 1.00 0.00 N ATOM 824 CA PRO A 60 0.802 2.404 -3.067 1.00 0.00 C ATOM 825 C PRO A 60 1.999 3.051 -3.667 1.00 0.00 C ATOM 826 O PRO A 60 2.187 4.236 -3.403 1.00 0.00 O ATOM 827 CB PRO A 60 1.123 1.140 -2.230 1.00 0.00 C ATOM 828 CG PRO A 60 0.406 0.009 -2.965 1.00 0.00 C ATOM 829 CD PRO A 60 -0.807 0.741 -3.531 1.00 0.00 C ATOM 0 HA PRO A 60 0.458 3.229 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.197 0.961 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.764 1.239 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.024 -0.429 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.121 -0.801 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.247 0.193 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.587 0.856 -2.778 1.00 0.00 H new ATOM 837 N ILE A 61 2.872 2.314 -4.355 1.00 0.00 N ATOM 838 CA ILE A 61 4.204 2.837 -4.590 1.00 0.00 C ATOM 839 C ILE A 61 4.511 3.047 -6.071 1.00 0.00 C ATOM 840 O ILE A 61 3.905 2.379 -6.914 1.00 0.00 O ATOM 841 CB ILE A 61 5.114 1.877 -3.838 1.00 0.00 C ATOM 842 CG1 ILE A 61 4.870 2.084 -2.334 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.631 2.043 -4.011 1.00 0.00 C ATOM 844 CD1 ILE A 61 5.732 3.148 -1.643 1.00 0.00 C ATOM 0 H ILE A 61 2.686 1.389 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 61 4.346 3.851 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 61 4.856 0.902 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.822 2.348 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.031 1.132 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.149 1.291 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.893 1.919 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.929 3.037 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.468 3.201 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.785 2.883 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.557 4.117 -2.110 1.00 0.00 H new ATOM 856 N PRO A 62 5.466 3.971 -6.420 1.00 0.00 N ATOM 857 CA PRO A 62 5.822 4.472 -7.741 1.00 0.00 C ATOM 858 C PRO A 62 6.165 3.404 -8.763 1.00 0.00 C ATOM 859 O PRO A 62 7.113 2.667 -8.564 1.00 0.00 O ATOM 860 CB PRO A 62 7.118 5.295 -7.422 1.00 0.00 C ATOM 861 CG PRO A 62 7.005 5.759 -5.972 1.00 0.00 C ATOM 862 CD PRO A 62 5.823 4.995 -5.457 1.00 0.00 C ATOM 0 HA PRO A 62 4.989 5.011 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.009 4.682 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.208 6.148 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.908 5.532 -5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.848 6.836 -5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.059 4.541 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.981 5.668 -5.294 1.00 0.00 H new ATOM 870 N LEU A 63 5.408 3.318 -9.878 1.00 0.00 N ATOM 871 CA LEU A 63 5.328 2.495 -11.096 1.00 0.00 C ATOM 872 C LEU A 63 6.550 2.034 -11.884 1.00 0.00 C ATOM 873 O LEU A 63 6.524 1.631 -13.046 1.00 0.00 O ATOM 874 CB LEU A 63 4.186 3.077 -11.920 1.00 0.00 C ATOM 875 CG LEU A 63 2.859 2.877 -11.151 1.00 0.00 C ATOM 876 CD1 LEU A 63 2.364 4.039 -10.269 1.00 0.00 C ATOM 877 CD2 LEU A 63 1.833 2.511 -12.202 1.00 0.00 C ATOM 0 H LEU A 63 4.655 4.003 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 63 5.160 1.482 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.358 4.137 -12.106 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.135 2.587 -12.892 1.00 0.00 H new ATOM 0 HG LEU A 63 3.029 2.102 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.425 3.759 -9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.109 4.258 -9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.207 4.923 -10.887 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.865 2.354 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.753 3.319 -12.929 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.141 1.596 -12.708 1.00 0.00 H new ATOM 889 N ASP A 64 7.640 2.200 -11.179 1.00 0.00 N ATOM 890 CA ASP A 64 9.054 2.031 -11.422 1.00 0.00 C ATOM 891 C ASP A 64 9.770 1.393 -10.226 1.00 0.00 C ATOM 892 O ASP A 64 10.982 1.560 -10.085 1.00 0.00 O ATOM 893 CB ASP A 64 9.557 3.505 -11.406 1.00 0.00 C ATOM 894 CG ASP A 64 9.251 4.196 -12.736 1.00 0.00 C ATOM 895 OD1 ASP A 64 9.827 3.766 -13.770 1.00 0.00 O ATOM 896 OD2 ASP A 64 8.440 5.160 -12.733 1.00 0.00 O ATOM 0 H ASP A 64 7.524 2.526 -10.219 1.00 0.00 H new ATOM 0 HA ASP A 64 9.230 1.429 -12.314 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.080 4.048 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.631 3.526 -11.218 1.00 0.00 H new ATOM 901 N THR A 65 9.036 0.793 -9.256 1.00 0.00 N ATOM 902 CA THR A 65 9.577 0.535 -7.929 1.00 0.00 C ATOM 903 C THR A 65 9.704 -0.853 -7.579 1.00 0.00 C ATOM 904 O THR A 65 8.733 -1.531 -7.307 1.00 0.00 O ATOM 905 CB THR A 65 8.929 1.223 -6.721 1.00 0.00 C ATOM 906 OG1 THR A 65 9.026 2.621 -6.860 1.00 0.00 O ATOM 907 CG2 THR A 65 9.614 0.951 -5.365 1.00 0.00 C ATOM 0 H THR A 65 8.072 0.485 -9.383 1.00 0.00 H new ATOM 0 HA THR A 65 10.548 1.003 -8.094 1.00 0.00 H new ATOM 0 HB THR A 65 7.915 0.824 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.608 2.896 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.081 1.481 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.599 -0.119 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.646 1.298 -5.403 1.00 0.00 H new ATOM 915 N GLU A 66 10.952 -1.243 -7.364 1.00 0.00 N ATOM 916 CA GLU A 66 11.375 -2.460 -6.684 1.00 0.00 C ATOM 917 C GLU A 66 10.926 -2.401 -5.194 1.00 0.00 C ATOM 918 O GLU A 66 11.613 -1.856 -4.350 1.00 0.00 O ATOM 919 CB GLU A 66 12.929 -2.442 -6.838 1.00 0.00 C ATOM 920 CG GLU A 66 13.782 -3.573 -6.223 1.00 0.00 C ATOM 921 CD GLU A 66 13.733 -4.883 -7.012 1.00 0.00 C ATOM 922 OE1 GLU A 66 12.942 -4.988 -7.983 1.00 0.00 O ATOM 923 OE2 GLU A 66 14.519 -5.802 -6.653 1.00 0.00 O ATOM 0 H GLU A 66 11.745 -0.684 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 66 10.944 -3.376 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.148 -2.415 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.285 -1.502 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.817 -3.239 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.441 -3.760 -5.205 1.00 0.00 H new ATOM 930 N VAL A 67 9.733 -2.992 -4.933 1.00 0.00 N ATOM 931 CA VAL A 67 8.887 -3.165 -3.746 1.00 0.00 C ATOM 932 C VAL A 67 9.108 -4.556 -3.347 1.00 0.00 C ATOM 933 O VAL A 67 9.734 -5.324 -4.061 1.00 0.00 O ATOM 934 CB VAL A 67 7.344 -3.036 -3.865 1.00 0.00 C ATOM 935 CG1 VAL A 67 6.863 -1.937 -2.912 1.00 0.00 C ATOM 936 CG2 VAL A 67 6.876 -2.803 -5.296 1.00 0.00 C ATOM 0 H VAL A 67 9.263 -3.443 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 67 9.176 -2.351 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 67 6.895 -3.986 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.780 -1.838 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.133 -2.199 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.333 -0.991 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.789 -2.721 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.316 -1.881 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.188 -3.640 -5.921 1.00 0.00 H new ATOM 946 N THR A 68 8.549 -4.950 -2.190 1.00 0.00 N ATOM 947 CA THR A 68 8.602 -6.367 -1.844 1.00 0.00 C ATOM 948 C THR A 68 7.326 -7.077 -2.289 1.00 0.00 C ATOM 949 O THR A 68 6.220 -6.535 -2.272 1.00 0.00 O ATOM 950 CB THR A 68 9.070 -6.609 -0.416 1.00 0.00 C ATOM 951 OG1 THR A 68 8.912 -7.937 0.088 1.00 0.00 O ATOM 952 CG2 THR A 68 8.228 -5.678 0.408 1.00 0.00 C ATOM 0 H THR A 68 8.082 -4.342 -1.517 1.00 0.00 H new ATOM 0 HA THR A 68 9.392 -6.852 -2.417 1.00 0.00 H new ATOM 0 HB THR A 68 10.147 -6.444 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.245 -7.979 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.495 -5.781 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.402 -4.651 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.175 -5.926 0.275 1.00 0.00 H new ATOM 960 N ALA A 69 7.510 -8.357 -2.664 1.00 0.00 N ATOM 961 CA ALA A 69 6.465 -9.286 -2.990 1.00 0.00 C ATOM 962 C ALA A 69 6.383 -10.239 -1.815 1.00 0.00 C ATOM 963 O ALA A 69 7.410 -10.637 -1.268 1.00 0.00 O ATOM 964 CB ALA A 69 6.896 -9.997 -4.271 1.00 0.00 C ATOM 0 H ALA A 69 8.440 -8.768 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 69 5.489 -8.829 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.132 -10.717 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.026 -9.264 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.838 -10.517 -4.099 1.00 0.00 H new ATOM 970 N LEU A 70 5.168 -10.616 -1.366 1.00 0.00 N ATOM 971 CA LEU A 70 5.017 -11.477 -0.201 1.00 0.00 C ATOM 972 C LEU A 70 5.016 -12.961 -0.542 1.00 0.00 C ATOM 973 O LEU A 70 4.134 -13.492 -1.214 1.00 0.00 O ATOM 974 CB LEU A 70 3.820 -11.082 0.679 1.00 0.00 C ATOM 975 CG LEU A 70 3.928 -11.371 2.208 1.00 0.00 C ATOM 976 CD1 LEU A 70 3.823 -12.849 2.615 1.00 0.00 C ATOM 977 CD2 LEU A 70 5.153 -10.738 2.897 1.00 0.00 C ATOM 0 H LEU A 70 4.288 -10.333 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 70 5.913 -11.309 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.644 -10.014 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.938 -11.598 0.300 1.00 0.00 H new ATOM 0 HG LEU A 70 3.031 -10.872 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.911 -12.935 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.859 -13.247 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.624 -13.415 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.146 -10.992 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.066 -11.119 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.115 -9.655 2.783 1.00 0.00 H new ATOM 989 N SER A 71 6.085 -13.586 -0.023 1.00 0.00 N ATOM 990 CA SER A 71 6.514 -14.965 0.034 1.00 0.00 C ATOM 991 C SER A 71 7.032 -15.090 1.460 1.00 0.00 C ATOM 992 O SER A 71 7.203 -14.083 2.131 1.00 0.00 O ATOM 993 CB SER A 71 7.606 -15.336 -1.008 1.00 0.00 C ATOM 994 OG SER A 71 7.016 -15.608 -2.277 1.00 0.00 O ATOM 0 H SER A 71 6.784 -13.011 0.448 1.00 0.00 H new ATOM 0 HA SER A 71 5.705 -15.652 -0.212 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.321 -14.518 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.162 -16.208 -0.665 1.00 0.00 H new ATOM 0 HG SER A 71 7.718 -15.838 -2.921 1.00 0.00 H new ATOM 1063 N PHE A 76 10.949 -14.121 1.019 1.00 0.00 N ATOM 1064 CA PHE A 76 10.451 -12.768 0.579 1.00 0.00 C ATOM 1065 C PHE A 76 11.530 -11.791 0.039 1.00 0.00 C ATOM 1066 O PHE A 76 12.616 -11.605 0.583 1.00 0.00 O ATOM 1067 CB PHE A 76 9.520 -11.949 1.562 1.00 0.00 C ATOM 1068 CG PHE A 76 9.859 -11.896 3.043 1.00 0.00 C ATOM 1069 CD1 PHE A 76 11.117 -11.597 3.543 1.00 0.00 C ATOM 1070 CD2 PHE A 76 8.825 -12.021 3.960 1.00 0.00 C ATOM 1071 CE1 PHE A 76 11.328 -11.436 4.899 1.00 0.00 C ATOM 1072 CE2 PHE A 76 9.031 -11.878 5.315 1.00 0.00 C ATOM 1073 CZ PHE A 76 10.288 -11.582 5.793 1.00 0.00 C ATOM 0 HA PHE A 76 9.822 -13.127 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.484 -10.922 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.512 -12.355 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.947 -11.488 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.829 -12.237 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.316 -11.194 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.206 -11.998 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.457 -11.466 6.853 1.00 0.00 H new ATOM 1083 N SER A 77 11.232 -11.287 -1.181 1.00 0.00 N ATOM 1084 CA SER A 77 12.203 -10.618 -2.054 1.00 0.00 C ATOM 1085 C SER A 77 11.572 -9.443 -2.770 1.00 0.00 C ATOM 1086 O SER A 77 10.343 -9.315 -2.793 1.00 0.00 O ATOM 1087 CB SER A 77 12.944 -11.626 -3.001 1.00 0.00 C ATOM 1088 OG SER A 77 14.205 -11.136 -3.490 1.00 0.00 O ATOM 0 H SER A 77 10.297 -11.338 -1.584 1.00 0.00 H new ATOM 0 HA SER A 77 12.991 -10.199 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.110 -12.560 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.299 -11.856 -3.849 1.00 0.00 H new ATOM 0 HG SER A 77 14.615 -11.810 -4.071 1.00 0.00 H new ATOM 1094 N ALA A 78 12.398 -8.514 -3.334 1.00 0.00 N ATOM 1095 CA ALA A 78 11.939 -7.355 -4.111 1.00 0.00 C ATOM 1096 C ALA A 78 11.708 -7.628 -5.613 1.00 0.00 C ATOM 1097 O ALA A 78 12.416 -8.396 -6.264 1.00 0.00 O ATOM 1098 CB ALA A 78 12.712 -6.031 -3.781 1.00 0.00 C ATOM 0 H ALA A 78 13.414 -8.563 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 78 10.927 -7.167 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.319 -5.218 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.582 -5.787 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.772 -6.166 -3.994 1.00 0.00 H new ATOM 1104 N GLY A 79 10.639 -6.984 -6.162 1.00 0.00 N ATOM 1105 CA GLY A 79 10.168 -7.031 -7.543 1.00 0.00 C ATOM 1106 C GLY A 79 9.503 -5.714 -7.797 1.00 0.00 C ATOM 1107 O GLY A 79 9.312 -4.924 -6.888 1.00 0.00 O ATOM 0 H GLY A 79 10.051 -6.376 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.997 -7.189 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.470 -7.855 -7.689 1.00 0.00 H new ATOM 1111 N VAL A 80 9.189 -5.394 -9.056 1.00 0.00 N ATOM 1112 CA VAL A 80 8.872 -4.050 -9.488 1.00 0.00 C ATOM 1113 C VAL A 80 7.426 -3.775 -9.673 1.00 0.00 C ATOM 1114 O VAL A 80 6.801 -4.354 -10.550 1.00 0.00 O ATOM 1115 CB VAL A 80 9.652 -3.846 -10.795 1.00 0.00 C ATOM 1116 CG1 VAL A 80 9.320 -2.555 -11.579 1.00 0.00 C ATOM 1117 CG2 VAL A 80 11.136 -3.825 -10.410 1.00 0.00 C ATOM 0 H VAL A 80 9.150 -6.081 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 80 9.158 -3.346 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 80 9.374 -4.656 -11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.927 -2.512 -12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.264 -2.555 -11.850 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.534 -1.686 -10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.742 -3.682 -11.305 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.319 -3.007 -9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.403 -4.771 -9.938 1.00 0.00 H new ATOM 1127 N VAL A 81 6.832 -2.795 -8.930 1.00 0.00 N ATOM 1128 CA VAL A 81 5.474 -2.300 -9.191 1.00 0.00 C ATOM 1129 C VAL A 81 5.504 -1.504 -10.491 1.00 0.00 C ATOM 1130 O VAL A 81 6.374 -0.638 -10.645 1.00 0.00 O ATOM 1131 CB VAL A 81 4.958 -1.430 -8.033 1.00 0.00 C ATOM 1132 CG1 VAL A 81 5.614 -0.039 -7.970 1.00 0.00 C ATOM 1133 CG2 VAL A 81 3.441 -1.219 -8.085 1.00 0.00 C ATOM 0 H VAL A 81 7.290 -2.338 -8.141 1.00 0.00 H new ATOM 0 HA VAL A 81 4.790 -3.144 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 81 5.230 -1.997 -7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.202 0.520 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.690 -0.150 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.414 0.500 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.131 -0.598 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.174 -0.725 -9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.937 -2.184 -8.028 1.00 0.00 H new ATOM 1143 N LYS A 82 4.642 -1.893 -11.463 1.00 0.00 N ATOM 1144 CA LYS A 82 4.696 -1.338 -12.806 1.00 0.00 C ATOM 1145 C LYS A 82 3.357 -0.869 -13.308 1.00 0.00 C ATOM 1146 O LYS A 82 3.288 0.006 -14.166 1.00 0.00 O ATOM 1147 CB LYS A 82 5.304 -2.341 -13.835 1.00 0.00 C ATOM 1148 CG LYS A 82 4.608 -3.719 -13.902 1.00 0.00 C ATOM 1149 CD LYS A 82 5.105 -4.603 -15.057 1.00 0.00 C ATOM 1150 CE LYS A 82 4.496 -4.236 -16.417 1.00 0.00 C ATOM 1151 NZ LYS A 82 4.974 -5.159 -17.473 1.00 0.00 N ATOM 0 H LYS A 82 3.909 -2.588 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 82 5.350 -0.470 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.270 -1.886 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.355 -2.494 -13.591 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.767 -4.243 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.533 -3.569 -14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.190 -4.526 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.872 -5.644 -14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.408 -4.277 -16.357 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.762 -3.211 -16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.550 -4.893 -18.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.010 -5.100 -17.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.698 -6.133 -17.234 1.00 0.00 H new ATOM 1165 N GLY A 83 2.237 -1.451 -12.824 1.00 0.00 N ATOM 1166 CA GLY A 83 0.910 -1.092 -13.315 1.00 0.00 C ATOM 1167 C GLY A 83 -0.114 -1.697 -12.411 1.00 0.00 C ATOM 1168 O GLY A 83 0.019 -2.855 -11.999 1.00 0.00 O ATOM 0 H GLY A 83 2.237 -2.167 -12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.797 -0.008 -13.342 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.774 -1.452 -14.335 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.176 -0.939 -12.047 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.160 -1.430 -11.100 1.00 0.00 C ATOM 1174 C HIS A 84 -3.587 -0.958 -11.330 1.00 0.00 C ATOM 1175 O HIS A 84 -3.849 0.091 -11.926 1.00 0.00 O ATOM 1176 CB HIS A 84 -1.690 -1.208 -9.636 1.00 0.00 C ATOM 1177 CG HIS A 84 -0.897 0.042 -9.294 1.00 0.00 C ATOM 1178 ND1 HIS A 84 0.477 0.145 -9.433 1.00 0.00 N ATOM 1179 CD2 HIS A 84 -1.260 1.126 -8.555 1.00 0.00 C ATOM 1180 CE1 HIS A 84 0.862 1.262 -8.770 1.00 0.00 C ATOM 1181 NE2 HIS A 84 -0.152 1.875 -8.223 1.00 0.00 N ATOM 0 H HIS A 84 -1.357 0.001 -12.399 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.217 -2.502 -11.288 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.576 -1.218 -9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.085 -2.069 -9.352 1.00 0.00 H new ATOM 0 HD1 HIS A 84 1.085 -0.499 -9.939 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.274 1.365 -8.269 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.884 1.604 -8.702 1.00 0.00 H new ATOM 1302 N TYR A 92 -5.892 -5.791 -8.457 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.729 -6.312 -9.131 1.00 0.00 C ATOM 1304 C TYR A 92 -3.565 -5.364 -9.190 1.00 0.00 C ATOM 1305 O TYR A 92 -3.616 -4.354 -9.880 1.00 0.00 O ATOM 1306 CB TYR A 92 -5.101 -6.552 -10.628 1.00 0.00 C ATOM 1307 CG TYR A 92 -5.930 -7.739 -10.990 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -7.310 -7.709 -10.938 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -5.316 -8.757 -11.686 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -8.054 -8.676 -11.582 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -6.044 -9.726 -12.327 1.00 0.00 C ATOM 1312 CZ TYR A 92 -7.422 -9.698 -12.260 1.00 0.00 C ATOM 1313 OH TYR A 92 -8.176 -10.677 -12.932 1.00 0.00 O ATOM 0 HA TYR A 92 -4.443 -7.201 -8.569 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.626 -5.665 -10.982 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.170 -6.618 -11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.810 -6.924 -10.390 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.237 -8.793 -11.728 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.133 -8.633 -11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.542 -10.506 -12.881 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.572 -11.321 -13.357 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.456 -5.713 -8.526 1.00 0.00 N ATOM 1324 CA TYR A 93 -1.180 -5.051 -8.577 1.00 0.00 C ATOM 1325 C TYR A 93 -0.244 -6.008 -9.318 1.00 0.00 C ATOM 1326 O TYR A 93 0.048 -7.101 -8.822 1.00 0.00 O ATOM 1327 CB TYR A 93 -0.695 -4.669 -7.145 1.00 0.00 C ATOM 1328 CG TYR A 93 -1.359 -3.369 -6.731 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -2.746 -3.250 -6.678 1.00 0.00 C ATOM 1330 CD2 TYR A 93 -0.597 -2.221 -6.517 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -3.366 -2.039 -6.504 1.00 0.00 C ATOM 1332 CE2 TYR A 93 -1.229 -1.001 -6.367 1.00 0.00 C ATOM 1333 CZ TYR A 93 -2.610 -0.914 -6.346 1.00 0.00 C ATOM 1334 OH TYR A 93 -3.309 0.299 -6.224 1.00 0.00 O ATOM 0 H TYR A 93 -2.443 -6.520 -7.903 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.220 -4.100 -9.108 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.944 -5.461 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.389 -4.559 -7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.352 -4.139 -6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.480 -2.285 -6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.444 -1.976 -6.492 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.637 -0.103 -6.265 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.670 1.038 -6.147 1.00 0.00 H new ATOM 1344 N SER A 94 0.225 -5.579 -10.540 1.00 0.00 N ATOM 1345 CA SER A 94 1.176 -6.268 -11.419 1.00 0.00 C ATOM 1346 C SER A 94 2.579 -5.869 -11.017 1.00 0.00 C ATOM 1347 O SER A 94 3.021 -4.722 -11.156 1.00 0.00 O ATOM 1348 CB SER A 94 0.938 -6.138 -12.959 1.00 0.00 C ATOM 1349 OG SER A 94 1.057 -4.821 -13.504 1.00 0.00 O ATOM 0 H SER A 94 -0.082 -4.692 -10.938 1.00 0.00 H new ATOM 0 HA SER A 94 1.011 -7.334 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.647 -6.787 -13.472 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.060 -6.514 -13.185 1.00 0.00 H new ATOM 0 HG SER A 94 0.456 -4.213 -13.025 1.00 0.00 H new ATOM 1355 N ILE A 95 3.254 -6.860 -10.406 1.00 0.00 N ATOM 1356 CA ILE A 95 4.556 -6.759 -9.776 1.00 0.00 C ATOM 1357 C ILE A 95 5.481 -7.537 -10.672 1.00 0.00 C ATOM 1358 O ILE A 95 5.250 -8.719 -10.924 1.00 0.00 O ATOM 1359 CB ILE A 95 4.475 -7.283 -8.336 1.00 0.00 C ATOM 1360 CG1 ILE A 95 3.338 -6.567 -7.549 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.828 -7.146 -7.600 1.00 0.00 C ATOM 1362 CD1 ILE A 95 3.367 -5.026 -7.603 1.00 0.00 C ATOM 0 H ILE A 95 2.871 -7.803 -10.343 1.00 0.00 H new ATOM 0 HA ILE A 95 4.925 -5.738 -9.675 1.00 0.00 H new ATOM 0 HB ILE A 95 4.239 -8.346 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.379 -6.910 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.389 -6.878 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.730 -7.528 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.590 -7.717 -8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.119 -6.096 -7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.535 -4.626 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.307 -4.665 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.280 -4.697 -8.638 1.00 0.00 H new ATOM 1374 N GLU A 96 6.550 -6.899 -11.232 1.00 0.00 N ATOM 1375 CA GLU A 96 7.460 -7.546 -12.187 1.00 0.00 C ATOM 1376 C GLU A 96 8.575 -8.259 -11.468 1.00 0.00 C ATOM 1377 O GLU A 96 9.400 -7.657 -10.785 1.00 0.00 O ATOM 1378 CB GLU A 96 7.974 -6.619 -13.313 1.00 0.00 C ATOM 1379 CG GLU A 96 8.624 -7.378 -14.491 1.00 0.00 C ATOM 1380 CD GLU A 96 9.070 -6.397 -15.573 1.00 0.00 C ATOM 1381 OE1 GLU A 96 8.184 -5.767 -16.208 1.00 0.00 O ATOM 1382 OE2 GLU A 96 10.306 -6.271 -15.785 1.00 0.00 O ATOM 0 H GLU A 96 6.792 -5.930 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 96 6.863 -8.292 -12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.142 -6.024 -13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.701 -5.922 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.480 -7.951 -14.135 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.914 -8.092 -14.908 1.00 0.00 H new ATOM 1389 N LYS A 97 8.545 -9.601 -11.545 1.00 0.00 N ATOM 1390 CA LYS A 97 9.346 -10.440 -10.676 1.00 0.00 C ATOM 1391 C LYS A 97 9.835 -11.641 -11.432 1.00 0.00 C ATOM 1392 O LYS A 97 9.049 -12.332 -12.081 1.00 0.00 O ATOM 1393 CB LYS A 97 8.369 -10.972 -9.600 1.00 0.00 C ATOM 1394 CG LYS A 97 8.824 -12.111 -8.661 1.00 0.00 C ATOM 1395 CD LYS A 97 9.969 -11.752 -7.712 1.00 0.00 C ATOM 1396 CE LYS A 97 10.615 -13.017 -7.132 1.00 0.00 C ATOM 1397 NZ LYS A 97 11.812 -12.685 -6.330 1.00 0.00 N ATOM 0 H LYS A 97 7.967 -10.117 -12.208 1.00 0.00 H new ATOM 0 HA LYS A 97 10.192 -9.883 -10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.080 -10.128 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.469 -11.311 -10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.969 -12.435 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.130 -12.962 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.719 -11.167 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.593 -11.126 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.892 -13.546 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.892 -13.691 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.912 -13.371 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.657 -12.722 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.711 -11.728 -5.935 1.00 0.00 H new ATOM 1411 N GLU A 98 11.161 -11.945 -11.379 1.00 0.00 N ATOM 1412 CA GLU A 98 11.829 -13.102 -11.997 1.00 0.00 C ATOM 1413 C GLU A 98 11.865 -13.055 -13.541 1.00 0.00 C ATOM 1414 O GLU A 98 12.401 -13.917 -14.232 1.00 0.00 O ATOM 1415 CB GLU A 98 11.231 -14.421 -11.396 1.00 0.00 C ATOM 1416 CG GLU A 98 11.919 -15.751 -11.745 1.00 0.00 C ATOM 1417 CD GLU A 98 13.409 -15.711 -11.404 1.00 0.00 C ATOM 1418 OE1 GLU A 98 13.738 -15.508 -10.204 1.00 0.00 O ATOM 1419 OE2 GLU A 98 14.237 -15.886 -12.338 1.00 0.00 O ATOM 0 H GLU A 98 11.819 -11.351 -10.874 1.00 0.00 H new ATOM 0 HA GLU A 98 12.888 -13.070 -11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.228 -14.322 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.190 -14.490 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.441 -16.565 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.792 -15.961 -12.807 1.00 0.00 H new ATOM 1426 N GLY A 99 11.342 -11.930 -14.082 1.00 0.00 N ATOM 1427 CA GLY A 99 11.324 -11.555 -15.492 1.00 0.00 C ATOM 1428 C GLY A 99 9.920 -11.441 -16.012 1.00 0.00 C ATOM 1429 O GLY A 99 9.701 -11.013 -17.140 1.00 0.00 O ATOM 0 H GLY A 99 10.896 -11.223 -13.497 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.840 -10.604 -15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.870 -12.297 -16.074 1.00 0.00 H new ATOM 1433 N GLN A 100 8.920 -11.836 -15.185 1.00 0.00 N ATOM 1434 CA GLN A 100 7.509 -11.844 -15.539 1.00 0.00 C ATOM 1435 C GLN A 100 6.659 -11.162 -14.504 1.00 0.00 C ATOM 1436 O GLN A 100 7.096 -10.889 -13.394 1.00 0.00 O ATOM 1437 CB GLN A 100 7.028 -13.286 -15.894 1.00 0.00 C ATOM 1438 CG GLN A 100 7.446 -14.445 -14.941 1.00 0.00 C ATOM 1439 CD GLN A 100 6.482 -14.712 -13.779 1.00 0.00 C ATOM 1440 OE1 GLN A 100 5.461 -15.394 -13.924 1.00 0.00 O ATOM 1441 NE2 GLN A 100 6.821 -14.196 -12.566 1.00 0.00 N ATOM 0 H GLN A 100 9.094 -12.163 -14.234 1.00 0.00 H new ATOM 0 HA GLN A 100 7.386 -11.248 -16.443 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.939 -13.272 -15.948 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.394 -13.525 -16.893 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.545 -15.359 -15.527 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.431 -14.220 -14.531 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.668 -13.636 -12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.228 -14.369 -11.754 1.00 0.00 H new ATOM 1450 N ARG A 101 5.389 -10.819 -14.833 1.00 0.00 N ATOM 1451 CA ARG A 101 4.499 -10.113 -13.925 1.00 0.00 C ATOM 1452 C ARG A 101 3.639 -11.023 -13.101 1.00 0.00 C ATOM 1453 O ARG A 101 2.913 -11.878 -13.600 1.00 0.00 O ATOM 1454 CB ARG A 101 3.731 -8.905 -14.554 1.00 0.00 C ATOM 1455 CG ARG A 101 2.439 -9.183 -15.353 1.00 0.00 C ATOM 1456 CD ARG A 101 2.643 -10.021 -16.624 1.00 0.00 C ATOM 1457 NE ARG A 101 1.310 -10.162 -17.307 1.00 0.00 N ATOM 1458 CZ ARG A 101 1.089 -11.006 -18.362 1.00 0.00 C ATOM 1459 NH1 ARG A 101 2.095 -11.781 -18.863 1.00 0.00 N ATOM 1460 NH2 ARG A 101 -0.156 -11.072 -18.916 1.00 0.00 N ATOM 0 H ARG A 101 4.969 -11.031 -15.738 1.00 0.00 H new ATOM 0 HA ARG A 101 5.174 -9.636 -13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.479 -8.217 -13.747 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.422 -8.382 -15.215 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.729 -9.697 -14.704 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.986 -8.231 -15.630 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.362 -9.539 -17.287 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.048 -11.001 -16.373 1.00 0.00 H new ATOM 0 HE ARG A 101 0.530 -9.599 -16.966 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.027 -11.736 -18.451 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.915 -12.405 -19.649 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.911 -10.496 -18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.332 -11.697 -19.702 1.00 0.00 H new ATOM 1474 N LYS A 102 3.730 -10.834 -11.766 1.00 0.00 N ATOM 1475 CA LYS A 102 2.903 -11.530 -10.795 1.00 0.00 C ATOM 1476 C LYS A 102 1.789 -10.566 -10.502 1.00 0.00 C ATOM 1477 O LYS A 102 2.007 -9.445 -10.043 1.00 0.00 O ATOM 1478 CB LYS A 102 3.681 -11.988 -9.530 1.00 0.00 C ATOM 1479 CG LYS A 102 4.238 -13.411 -9.763 1.00 0.00 C ATOM 1480 CD LYS A 102 5.650 -13.675 -9.222 1.00 0.00 C ATOM 1481 CE LYS A 102 5.956 -15.173 -9.081 1.00 0.00 C ATOM 1482 NZ LYS A 102 7.332 -15.393 -8.579 1.00 0.00 N ATOM 0 H LYS A 102 4.392 -10.183 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 102 2.527 -12.476 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.496 -11.296 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.023 -11.980 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.555 -14.127 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.237 -13.609 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.382 -13.219 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.759 -13.192 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.240 -15.631 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.835 -15.664 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.511 -16.414 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.015 -14.976 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.437 -14.944 -7.647 1.00 0.00 H new ATOM 1496 N TRP A 103 0.540 -10.982 -10.814 1.00 0.00 N ATOM 1497 CA TRP A 103 -0.629 -10.163 -10.621 1.00 0.00 C ATOM 1498 C TRP A 103 -1.201 -10.613 -9.301 1.00 0.00 C ATOM 1499 O TRP A 103 -1.799 -11.680 -9.189 1.00 0.00 O ATOM 1500 CB TRP A 103 -1.680 -10.440 -11.731 1.00 0.00 C ATOM 1501 CG TRP A 103 -1.446 -9.781 -13.075 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.075 -10.346 -14.261 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -1.835 -8.428 -13.376 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.275 -9.451 -15.286 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -1.770 -8.280 -14.756 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.243 -7.401 -12.571 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.166 -7.121 -15.353 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.601 -6.208 -13.173 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -2.579 -6.078 -14.548 1.00 0.00 C ATOM 0 H TRP A 103 0.338 -11.902 -11.207 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.381 -9.102 -10.649 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.734 -11.518 -11.886 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.655 -10.122 -11.362 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.683 -11.346 -14.377 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.088 -9.625 -16.273 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.285 -7.518 -11.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.157 -7.021 -16.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.901 -5.370 -12.562 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.889 -5.147 -15.000 1.00 0.00 H new ATOM 1520 N TYR A 104 -0.994 -9.779 -8.277 1.00 0.00 N ATOM 1521 CA TYR A 104 -1.395 -10.050 -6.918 1.00 0.00 C ATOM 1522 C TYR A 104 -2.561 -9.175 -6.582 1.00 0.00 C ATOM 1523 O TYR A 104 -2.624 -8.046 -7.021 1.00 0.00 O ATOM 1524 CB TYR A 104 -0.281 -9.678 -5.894 1.00 0.00 C ATOM 1525 CG TYR A 104 1.005 -10.457 -6.066 1.00 0.00 C ATOM 1526 CD1 TYR A 104 1.023 -11.843 -6.162 1.00 0.00 C ATOM 1527 CD2 TYR A 104 2.216 -9.798 -5.938 1.00 0.00 C ATOM 1528 CE1 TYR A 104 2.218 -12.539 -6.137 1.00 0.00 C ATOM 1529 CE2 TYR A 104 3.409 -10.486 -5.912 1.00 0.00 C ATOM 1530 CZ TYR A 104 3.412 -11.855 -6.016 1.00 0.00 C ATOM 1531 OH TYR A 104 4.648 -12.531 -6.033 1.00 0.00 O ATOM 0 H TYR A 104 -0.530 -8.877 -8.387 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.620 -11.115 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.063 -8.614 -5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -0.660 -9.843 -4.886 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.093 -12.383 -6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.225 -8.721 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.218 -13.616 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 104 4.341 -9.949 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 104 5.337 -11.944 -6.409 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.462 -9.561 -5.642 1.00 0.00 N ATOM 1542 CA LYS A 105 -4.370 -8.647 -4.989 1.00 0.00 C ATOM 1543 C LYS A 105 -3.502 -8.032 -3.885 1.00 0.00 C ATOM 1544 O LYS A 105 -2.696 -8.767 -3.314 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.537 -9.448 -4.347 1.00 0.00 C ATOM 1546 CG LYS A 105 -6.226 -10.443 -5.296 1.00 0.00 C ATOM 1547 CD LYS A 105 -7.352 -11.218 -4.588 1.00 0.00 C ATOM 1548 CE LYS A 105 -8.108 -12.190 -5.504 1.00 0.00 C ATOM 1549 NZ LYS A 105 -7.218 -13.264 -6.006 1.00 0.00 N ATOM 0 H LYS A 105 -3.561 -10.527 -5.330 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.808 -7.910 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.155 -9.994 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.282 -8.745 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.636 -9.906 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.489 -11.146 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.927 -11.776 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.061 -10.505 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.942 -12.632 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.532 -11.643 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.770 -13.932 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.465 -12.846 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.794 -13.768 -5.201 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.579 -6.703 -3.642 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.676 -5.848 -2.826 1.00 0.00 C ATOM 1565 C ARG A 106 -1.941 -6.401 -1.605 1.00 0.00 C ATOM 1566 O ARG A 106 -0.840 -5.983 -1.310 1.00 0.00 O ATOM 1567 CB ARG A 106 -3.385 -4.576 -2.298 1.00 0.00 C ATOM 1568 CG ARG A 106 -3.539 -3.492 -3.372 1.00 0.00 C ATOM 1569 CD ARG A 106 -4.275 -2.245 -2.867 1.00 0.00 C ATOM 1570 NE ARG A 106 -5.626 -2.704 -2.417 1.00 0.00 N ATOM 1571 CZ ARG A 106 -6.668 -1.869 -2.130 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -6.517 -0.515 -2.140 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -7.882 -2.422 -1.842 1.00 0.00 N ATOM 0 H ARG A 106 -4.337 -6.152 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.917 -5.698 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.370 -4.846 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.819 -4.172 -1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.552 -3.203 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.080 -3.906 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.730 -1.778 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.362 -1.499 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.779 -3.708 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.611 -0.105 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.310 0.088 -1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.994 -3.436 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.677 -1.821 -1.624 1.00 0.00 H new ATOM 1587 N MET A 107 -2.494 -7.393 -0.895 1.00 0.00 N ATOM 1588 CA MET A 107 -1.922 -8.096 0.252 1.00 0.00 C ATOM 1589 C MET A 107 -0.674 -8.976 -0.041 1.00 0.00 C ATOM 1590 O MET A 107 0.051 -9.328 0.887 1.00 0.00 O ATOM 1591 CB MET A 107 -3.044 -8.859 1.009 1.00 0.00 C ATOM 1592 CG MET A 107 -3.780 -9.861 0.089 1.00 0.00 C ATOM 1593 SD MET A 107 -5.321 -10.498 0.806 1.00 0.00 S ATOM 1594 CE MET A 107 -5.752 -11.496 -0.648 1.00 0.00 C ATOM 0 H MET A 107 -3.421 -7.748 -1.128 1.00 0.00 H new ATOM 0 HA MET A 107 -1.506 -7.326 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.613 -9.393 1.856 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.760 -8.144 1.414 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.003 -9.375 -0.861 1.00 0.00 H new ATOM 0 HG3 MET A 107 -3.116 -10.698 -0.130 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.614 -12.121 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.994 -10.838 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.907 -12.129 -0.918 1.00 0.00 H new ATOM 1604 N ALA A 108 -0.336 -9.295 -1.340 1.00 0.00 N ATOM 1605 CA ALA A 108 0.924 -9.976 -1.701 1.00 0.00 C ATOM 1606 C ALA A 108 1.982 -9.057 -2.276 1.00 0.00 C ATOM 1607 O ALA A 108 3.030 -9.497 -2.736 1.00 0.00 O ATOM 1608 CB ALA A 108 0.785 -11.233 -2.612 1.00 0.00 C ATOM 0 H ALA A 108 -0.932 -9.083 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 108 1.255 -10.330 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.773 -11.649 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.171 -11.980 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.314 -10.950 -3.553 1.00 0.00 H new ATOM 1614 N VAL A 109 1.745 -7.744 -2.200 1.00 0.00 N ATOM 1615 CA VAL A 109 2.631 -6.669 -2.512 1.00 0.00 C ATOM 1616 C VAL A 109 2.655 -5.841 -1.256 1.00 0.00 C ATOM 1617 O VAL A 109 1.647 -5.364 -0.737 1.00 0.00 O ATOM 1618 CB VAL A 109 2.343 -5.917 -3.808 1.00 0.00 C ATOM 1619 CG1 VAL A 109 1.069 -5.049 -3.797 1.00 0.00 C ATOM 1620 CG2 VAL A 109 3.606 -5.142 -4.220 1.00 0.00 C ATOM 0 H VAL A 109 0.838 -7.398 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 109 3.626 -7.033 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 109 2.106 -6.660 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.955 -4.557 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.201 -5.680 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.149 -4.295 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.414 -4.599 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.872 -4.436 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.428 -5.841 -4.373 1.00 0.00 H new ATOM 1630 N ILE A 110 3.844 -5.645 -0.711 1.00 0.00 N ATOM 1631 CA ILE A 110 4.057 -4.799 0.457 1.00 0.00 C ATOM 1632 C ILE A 110 5.231 -3.877 0.215 1.00 0.00 C ATOM 1633 O ILE A 110 5.810 -3.859 -0.867 1.00 0.00 O ATOM 1634 CB ILE A 110 4.121 -5.494 1.823 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.319 -6.435 2.135 1.00 0.00 C ATOM 1636 CG2 ILE A 110 2.752 -6.115 2.200 1.00 0.00 C ATOM 1637 CD1 ILE A 110 5.502 -7.635 1.204 1.00 0.00 C ATOM 0 H ILE A 110 4.699 -6.072 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 110 3.139 -4.220 0.554 1.00 0.00 H new ATOM 0 HB ILE A 110 4.353 -4.666 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.234 -5.843 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.205 -6.807 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.828 -6.601 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.996 -5.331 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.467 -6.851 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.368 -8.214 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.612 -8.263 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.656 -7.284 0.184 1.00 0.00 H new ATOM 1649 N LEU A 111 5.628 -3.065 1.237 1.00 0.00 N ATOM 1650 CA LEU A 111 6.714 -2.102 1.096 1.00 0.00 C ATOM 1651 C LEU A 111 7.507 -1.861 2.369 1.00 0.00 C ATOM 1652 O LEU A 111 6.965 -1.952 3.462 1.00 0.00 O ATOM 1653 CB LEU A 111 6.211 -0.737 0.562 1.00 0.00 C ATOM 1654 CG LEU A 111 4.752 -0.284 0.848 1.00 0.00 C ATOM 1655 CD1 LEU A 111 4.142 -0.592 2.199 1.00 0.00 C ATOM 1656 CD2 LEU A 111 4.790 1.222 0.693 1.00 0.00 C ATOM 0 H LEU A 111 5.198 -3.073 2.162 1.00 0.00 H new ATOM 0 HA LEU A 111 7.384 -2.567 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.874 0.032 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.343 -0.743 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 111 4.118 -0.848 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.122 -0.209 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.130 -1.671 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.734 -0.119 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.797 1.632 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.496 1.644 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.105 1.476 -0.319 1.00 0.00 H new ATOM 1668 N SER A 112 8.815 -1.505 2.209 1.00 0.00 N ATOM 1669 CA SER A 112 9.828 -1.175 3.211 1.00 0.00 C ATOM 1670 C SER A 112 9.763 0.319 3.562 1.00 0.00 C ATOM 1671 O SER A 112 9.110 1.070 2.832 1.00 0.00 O ATOM 1672 CB SER A 112 11.255 -1.549 2.654 1.00 0.00 C ATOM 1673 OG SER A 112 11.694 -0.757 1.534 1.00 0.00 O ATOM 0 H SER A 112 9.209 -1.441 1.270 1.00 0.00 H new ATOM 0 HA SER A 112 9.637 -1.747 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.982 -1.447 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.251 -2.598 2.359 1.00 0.00 H new ATOM 0 HG SER A 112 11.304 -1.113 0.709 1.00 0.00 H new ATOM 1679 N LEU A 113 10.470 0.870 4.615 1.00 0.00 N ATOM 1680 CA LEU A 113 10.450 2.334 4.825 1.00 0.00 C ATOM 1681 C LEU A 113 11.118 3.139 3.741 1.00 0.00 C ATOM 1682 O LEU A 113 10.583 4.134 3.343 1.00 0.00 O ATOM 1683 CB LEU A 113 10.902 3.017 6.133 1.00 0.00 C ATOM 1684 CG LEU A 113 10.404 2.377 7.446 1.00 0.00 C ATOM 1685 CD1 LEU A 113 11.594 2.221 8.400 1.00 0.00 C ATOM 1686 CD2 LEU A 113 9.271 3.089 8.208 1.00 0.00 C ATOM 0 H LEU A 113 11.026 0.340 5.287 1.00 0.00 H new ATOM 0 HA LEU A 113 9.360 2.353 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.992 3.033 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.569 4.055 6.110 1.00 0.00 H new ATOM 0 HG LEU A 113 9.963 1.434 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.256 1.770 9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.348 1.582 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.026 3.200 8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.027 2.525 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.594 4.093 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.389 3.154 7.571 1.00 0.00 H new ATOM 1698 N GLU A 114 12.264 2.760 3.194 1.00 0.00 N ATOM 1699 CA GLU A 114 12.882 3.473 2.048 1.00 0.00 C ATOM 1700 C GLU A 114 12.188 3.408 0.671 1.00 0.00 C ATOM 1701 O GLU A 114 12.463 4.223 -0.199 1.00 0.00 O ATOM 1702 CB GLU A 114 14.420 3.589 2.063 1.00 0.00 C ATOM 1703 CG GLU A 114 14.801 4.912 2.774 1.00 0.00 C ATOM 1704 CD GLU A 114 16.314 5.115 2.845 1.00 0.00 C ATOM 1705 OE1 GLU A 114 17.073 4.240 2.348 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.732 6.163 3.406 1.00 0.00 O ATOM 0 H GLU A 114 12.802 1.956 3.518 1.00 0.00 H new ATOM 0 HA GLU A 114 12.584 4.491 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.860 2.738 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.812 3.578 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.348 5.750 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.389 4.912 3.783 1.00 0.00 H new ATOM 1713 N GLN A 115 11.161 2.518 0.540 1.00 0.00 N ATOM 1714 CA GLN A 115 10.108 2.461 -0.485 1.00 0.00 C ATOM 1715 C GLN A 115 9.038 3.520 -0.161 1.00 0.00 C ATOM 1716 O GLN A 115 8.576 4.270 -1.012 1.00 0.00 O ATOM 1717 CB GLN A 115 9.374 1.080 -0.453 1.00 0.00 C ATOM 1718 CG GLN A 115 9.615 0.180 -1.670 1.00 0.00 C ATOM 1719 CD GLN A 115 11.008 -0.432 -1.671 1.00 0.00 C ATOM 1720 OE1 GLN A 115 11.267 -1.406 -0.954 1.00 0.00 O ATOM 1721 NE2 GLN A 115 11.890 0.070 -2.562 1.00 0.00 N ATOM 0 H GLN A 115 11.051 1.761 1.215 1.00 0.00 H new ATOM 0 HA GLN A 115 10.577 2.625 -1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.686 0.543 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.303 1.259 -0.361 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.871 -0.617 -1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.476 0.761 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.635 0.875 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.811 -0.356 -2.663 1.00 0.00 H new ATOM 1730 N GLY A 116 8.632 3.541 1.130 1.00 0.00 N ATOM 1731 CA GLY A 116 7.651 4.389 1.796 1.00 0.00 C ATOM 1732 C GLY A 116 8.018 5.835 2.083 1.00 0.00 C ATOM 1733 O GLY A 116 7.253 6.742 1.822 1.00 0.00 O ATOM 0 H GLY A 116 9.039 2.883 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.747 4.391 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.395 3.917 2.745 1.00 0.00 H new ATOM 1737 N ASN A 117 9.215 6.112 2.648 1.00 0.00 N ATOM 1738 CA ASN A 117 9.805 7.384 3.063 1.00 0.00 C ATOM 1739 C ASN A 117 10.351 8.183 1.912 1.00 0.00 C ATOM 1740 O ASN A 117 10.352 9.413 1.938 1.00 0.00 O ATOM 1741 CB ASN A 117 10.861 7.243 4.194 1.00 0.00 C ATOM 1742 CG ASN A 117 10.254 6.767 5.521 1.00 0.00 C ATOM 1743 OD1 ASN A 117 10.996 6.414 6.437 1.00 0.00 O ATOM 1744 ND2 ASN A 117 8.904 6.778 5.664 1.00 0.00 N ATOM 0 H ASN A 117 9.861 5.347 2.843 1.00 0.00 H new ATOM 0 HA ASN A 117 8.970 7.945 3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.631 6.539 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.351 8.204 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.482 6.489 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.311 7.075 4.889 1.00 0.00 H new ATOM 1751 N ARG A 118 10.727 7.495 0.793 1.00 0.00 N ATOM 1752 CA ARG A 118 11.129 8.129 -0.459 1.00 0.00 C ATOM 1753 C ARG A 118 9.936 8.856 -1.114 1.00 0.00 C ATOM 1754 O ARG A 118 10.069 9.888 -1.757 1.00 0.00 O ATOM 1755 CB ARG A 118 11.697 7.149 -1.519 1.00 0.00 C ATOM 1756 CG ARG A 118 10.701 6.133 -2.129 1.00 0.00 C ATOM 1757 CD ARG A 118 10.906 5.890 -3.632 1.00 0.00 C ATOM 1758 NE ARG A 118 10.420 7.076 -4.420 1.00 0.00 N ATOM 1759 CZ ARG A 118 10.434 7.099 -5.791 1.00 0.00 C ATOM 1760 NH1 ARG A 118 10.913 6.039 -6.503 1.00 0.00 N ATOM 1761 NH2 ARG A 118 9.945 8.187 -6.455 1.00 0.00 N ATOM 0 H ARG A 118 10.753 6.476 0.755 1.00 0.00 H new ATOM 0 HA ARG A 118 11.921 8.819 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.124 7.737 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.516 6.592 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 118 10.795 5.184 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.685 6.490 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.962 5.714 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.367 4.994 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 118 10.068 7.891 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.267 5.216 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.917 6.070 -7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 118 9.571 8.979 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 118 9.953 8.208 -7.475 1.00 0.00 H new ATOM 1775 N LEU A 119 8.730 8.245 -0.888 1.00 0.00 N ATOM 1776 CA LEU A 119 7.368 8.554 -1.289 1.00 0.00 C ATOM 1777 C LEU A 119 6.767 9.561 -0.385 1.00 0.00 C ATOM 1778 O LEU A 119 6.008 10.401 -0.857 1.00 0.00 O ATOM 1779 CB LEU A 119 6.431 7.298 -1.227 1.00 0.00 C ATOM 1780 CG LEU A 119 5.084 7.460 -1.947 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.581 6.168 -2.560 1.00 0.00 C ATOM 1782 CD2 LEU A 119 3.962 7.908 -1.038 1.00 0.00 C ATOM 0 H LEU A 119 8.724 7.392 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 119 7.441 8.922 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.958 6.448 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.241 7.056 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 119 5.308 8.212 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.626 6.347 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.305 5.806 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.450 5.421 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.042 8.001 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.821 7.173 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.214 8.873 -0.598 1.00 0.00 H new ATOM 1794 N ARG A 120 7.027 9.464 0.947 1.00 0.00 N ATOM 1795 CA ARG A 120 6.329 10.165 2.014 1.00 0.00 C ATOM 1796 C ARG A 120 6.085 11.681 1.935 1.00 0.00 C ATOM 1797 O ARG A 120 5.147 12.235 2.500 1.00 0.00 O ATOM 1798 CB ARG A 120 6.952 9.812 3.443 1.00 0.00 C ATOM 1799 CG ARG A 120 8.062 10.750 3.991 1.00 0.00 C ATOM 1800 CD ARG A 120 8.572 10.379 5.399 1.00 0.00 C ATOM 1801 NE ARG A 120 7.420 10.294 6.372 1.00 0.00 N ATOM 1802 CZ ARG A 120 6.880 11.371 7.026 1.00 0.00 C ATOM 1803 NH1 ARG A 120 7.414 12.619 6.891 1.00 0.00 N ATOM 1804 NH2 ARG A 120 5.787 11.191 7.825 1.00 0.00 N ATOM 0 H ARG A 120 7.768 8.861 1.303 1.00 0.00 H new ATOM 0 HA ARG A 120 5.327 9.765 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.139 9.792 4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.359 8.802 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.904 10.740 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.680 11.771 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.097 9.424 5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.290 11.124 5.740 1.00 0.00 H new ATOM 0 HE ARG A 120 7.017 9.375 6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.229 12.763 6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.998 13.408 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.380 10.262 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.378 11.986 8.316 1.00 0.00 H new ATOM 1818 N GLU A 121 6.991 12.339 1.187 1.00 0.00 N ATOM 1819 CA GLU A 121 7.100 13.739 0.862 1.00 0.00 C ATOM 1820 C GLU A 121 6.433 14.102 -0.470 1.00 0.00 C ATOM 1821 O GLU A 121 5.982 15.233 -0.647 1.00 0.00 O ATOM 1822 CB GLU A 121 8.623 14.073 0.833 1.00 0.00 C ATOM 1823 CG GLU A 121 9.497 13.085 0.018 1.00 0.00 C ATOM 1824 CD GLU A 121 10.956 13.542 0.057 1.00 0.00 C ATOM 1825 OE1 GLU A 121 11.543 13.551 1.172 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.502 13.882 -1.026 1.00 0.00 O ATOM 0 H GLU A 121 7.751 11.817 0.750 1.00 0.00 H new ATOM 0 HA GLU A 121 6.572 14.328 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.752 15.074 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.993 14.101 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.409 12.080 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.147 13.039 -1.013 1.00 0.00 H new ATOM 1833 N GLN A 122 6.386 13.140 -1.437 1.00 0.00 N ATOM 1834 CA GLN A 122 5.889 13.288 -2.793 1.00 0.00 C ATOM 1835 C GLN A 122 4.493 12.729 -3.038 1.00 0.00 C ATOM 1836 O GLN A 122 3.722 13.386 -3.737 1.00 0.00 O ATOM 1837 CB GLN A 122 6.918 12.773 -3.864 1.00 0.00 C ATOM 1838 CG GLN A 122 7.509 11.348 -3.678 1.00 0.00 C ATOM 1839 CD GLN A 122 8.584 11.045 -4.746 1.00 0.00 C ATOM 1840 OE1 GLN A 122 8.384 11.166 -5.959 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.785 10.618 -4.284 1.00 0.00 N ATOM 0 H GLN A 122 6.719 12.193 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 122 5.780 14.365 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.432 12.809 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.749 13.478 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.946 11.260 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.710 10.609 -3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.940 10.521 -3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.533 10.393 -4.940 1.00 0.00 H new ATOM 1850 N TYR A 123 4.108 11.509 -2.533 1.00 0.00 N ATOM 1851 CA TYR A 123 2.783 10.980 -2.952 1.00 0.00 C ATOM 1852 C TYR A 123 1.852 10.475 -1.873 1.00 0.00 C ATOM 1853 O TYR A 123 0.858 9.852 -2.244 1.00 0.00 O ATOM 1854 CB TYR A 123 2.850 9.791 -3.989 1.00 0.00 C ATOM 1855 CG TYR A 123 3.779 10.057 -5.124 1.00 0.00 C ATOM 1856 CD1 TYR A 123 3.615 11.133 -5.975 1.00 0.00 C ATOM 1857 CD2 TYR A 123 4.854 9.219 -5.311 1.00 0.00 C ATOM 1858 CE1 TYR A 123 4.550 11.396 -6.955 1.00 0.00 C ATOM 1859 CE2 TYR A 123 5.805 9.496 -6.255 1.00 0.00 C ATOM 1860 CZ TYR A 123 5.659 10.588 -7.083 1.00 0.00 C ATOM 1861 OH TYR A 123 6.709 10.956 -7.947 1.00 0.00 O ATOM 0 H TYR A 123 4.647 10.926 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 123 2.383 11.900 -3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 123 3.166 8.884 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 123 1.851 9.602 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.750 11.772 -5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 123 4.949 8.330 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.413 12.235 -7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 123 6.671 8.858 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 123 7.559 10.923 -7.461 1.00 0.00 H new ATOM 1871 N GLY A 124 2.098 10.584 -0.534 1.00 0.00 N ATOM 1872 CA GLY A 124 1.244 9.752 0.255 1.00 0.00 C ATOM 1873 C GLY A 124 1.745 9.806 1.623 1.00 0.00 C ATOM 1874 O GLY A 124 1.122 10.513 2.397 1.00 0.00 O ATOM 0 H GLY A 124 2.789 11.165 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.213 10.102 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.251 8.728 -0.118 1.00 0.00 H new ATOM 1878 N LEU A 125 2.865 9.086 1.964 1.00 0.00 N ATOM 1879 CA LEU A 125 3.386 8.711 3.309 1.00 0.00 C ATOM 1880 C LEU A 125 3.549 9.732 4.463 1.00 0.00 C ATOM 1881 O LEU A 125 4.080 9.432 5.531 1.00 0.00 O ATOM 1882 CB LEU A 125 4.513 7.614 3.284 1.00 0.00 C ATOM 1883 CG LEU A 125 4.089 6.156 3.513 1.00 0.00 C ATOM 1884 CD1 LEU A 125 3.151 5.968 4.738 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.684 5.532 2.157 1.00 0.00 C ATOM 0 H LEU A 125 3.476 8.724 1.231 1.00 0.00 H new ATOM 0 HA LEU A 125 2.444 8.286 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.016 7.670 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.251 7.873 4.043 1.00 0.00 H new ATOM 0 HG LEU A 125 4.929 5.550 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.892 4.914 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.660 6.305 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.243 6.553 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.381 4.496 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.853 6.094 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.532 5.565 1.473 1.00 0.00 H new ATOM 1897 N GLY A 126 2.933 10.917 4.289 1.00 0.00 N ATOM 1898 CA GLY A 126 2.672 11.874 5.361 1.00 0.00 C ATOM 1899 C GLY A 126 1.832 13.062 4.934 1.00 0.00 C ATOM 1900 O GLY A 126 2.418 13.952 4.327 1.00 0.00 O ATOM 0 H GLY A 126 2.600 11.234 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.167 11.360 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.623 12.236 5.751 1.00 0.00 H new ATOM 1904 N PRO A 127 0.506 13.243 5.153 1.00 0.00 N ATOM 1905 CA PRO A 127 -0.194 14.502 4.830 1.00 0.00 C ATOM 1906 C PRO A 127 -0.047 15.548 5.966 1.00 0.00 C ATOM 1907 O PRO A 127 -0.131 16.749 5.723 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.649 14.017 4.694 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.783 12.941 5.783 1.00 0.00 C ATOM 1910 CD PRO A 127 -0.403 12.251 5.743 1.00 0.00 C ATOM 0 HA PRO A 127 0.192 15.008 3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.357 14.831 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.843 13.608 3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.991 13.377 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.592 12.243 5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -0.077 11.964 6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.435 11.341 5.144 1.00 0.00 H new